# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T15:39:24+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section C') AND volume = 54 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
"1000459","5.7747","0.0014","8.4689","0.0011","9.923","0.003","64.77","0.02","82.75","0.02","81.43","0.02","433","","","","","","","","","","","","","5","P 1","P 1","1","","Tetracalcium dialuminium dodecahydroxide carbonate pentahydrate","","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","- C H22 Al2 Ca4 O20 -","1","1","","Francois, M; Renaudin, G; Evrard, O","A cementitious compound with composition 3CaO . Al2O3 . CaCO3 . 11H2O","Acta Crystallographica C (39,1983-)","1998","54","","1214","1217","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008827","9.3938","0.0008","9.3938","0.0008","6.9013","0.0005","90","","90","","120","","527.4","","","","","","","","","","","","exchanged) - synthetic","6","P 63/m","-P 6c","176","","Calcium neodymium phosphate(V) silicate fluoride oxide (9/1/5/1/1.5/0.25)","Britholite (N","- Ca9 F1.5 Nd O24.25 P5 Si -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","- Ca9 F1.54 Nd O24.28 P4.9998 Si1.0002 -","1","0.0833333","","Boyer, L; Savariault, J-M; Carpena, J; Lacout, J-L","A neodymium-substituted britholite compound","Acta Crystallographica C (39,1983-)","1998","54","","1057","1057","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008828","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dilead(II) diiron(III) digermanium(IV) oxide","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","TA1174","Barbier, J; Levy, D","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","1","2","5","10.1107/S0108270197012687","","","0.56086","AgKα","","0.032","0.0317","","","","0.0633","","","","0.926","0.926","0.868","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008829","8.8978","0.0003","13.7057","0.0004","7.5532","0.0002","90","","115.867","0.001","90","","828.8","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Potassium iron trigermanate","","- Fe Ge3 K O8 -","- Fe Ge3 K O8 -","- Fe4 Ge12 K4 O32 -","4","0.5","","Levy, D; Barbier, J","A sanidine feldspar analogue: K Fe Ge3 O8","Acta Crystallographica C (39,1983-)","1998","54","8","1","1","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006898","21.4236","0.0009","21.4236","0.0009","25.757","0.003","90","","90","","90","","11821.7","1.5","170","2","170","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","(μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-terbium(III)-titanium (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-erbium(III)-titanium","","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C42 H98 Er0.4 O15 Tb3.6 Ti -","- C336 H784 Er3.2 O120 Tb28.8 Ti8 -","8","0.5","AB1489","Marat Moustiakimov; Mikael Kritikos; Gunnar Westin","(Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide","Acta Crystallographica Section C","1998","54","1","29","31","10.1107/S0108270197010664","","","0.71073","MoKα","","0.0393","0.0238","","0.0632","0.0597","","","","0.997","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006899","13.1891","0.0009","10.5406","0.0008","8.0819","0.0008","90","","90","","90","","1123.55","0.16","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","8,8'-bis(dimethylsulphido)-commo-3,3'-ferra- bis(3,1,2-closo-ferradicarbadodecaborane(10))","","- C8 H32 B18 Fe S2 -","- C8 H32 B18 Fe S2 -","- C16 H64 B36 Fe2 S4 -","2","0.5","AB1497","Plešek, Jaromír; Štíbr, Bohumil; Cooke, Paul A.; Kennedy, John D.; McGrath, Thomas D.; Thornton-Pett, Mark","An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C~2~B~9~H~10~(SMe~2~)}~2~]","Acta Crystallographica Section C","1998","54","1","36","38","10.1107/S0108270197012742","","","0.71073","MoKα","","0.0168","0.0165","","0.0452","0.045","","","","1.127","1.126","1.126","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006900","11.159","0.0012","25.112","0.002","9.663","0.0009","90","","90.641","0.009","90","","2707.6","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(triphenylphosphine)-arachno-6-thiadecaborane(11)","","- C19 H27 B9 Cl3 P S -","- C19 H27 B9 Cl3 P S -","- C76 H108 B36 Cl12 P4 S4 -","4","1","AB1503","Cooke, Paul A.; Holub, Josef; Kennedy, John D.; S̆tíbr, Bohumil; Thornton-Pett, Mark","9-(Triphenylphosphine-<i>P</i>)-<i>arachno</i>-6-thiadecaborane(11) Trichloromethane (1/1)","Acta Crystallographica Section C","1998","54","1","121","123","10.1107/S0108270197012389","","","1.54186","CuKα","","0.0804","0.0547","","0.1456","0.1291","","","","1.006","1.056","1.056","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006901","9.6749","0.0008","14.531","0.002","18.053","0.002","90","","101.462","0.007","90","","2487.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Au B10 Cl P -","- C20 H25 Au B10 Cl P -","- C80 H100 Au4 B40 Cl4 P4 -","4","1","AB1516","McWhannell, M. Anna; Rosair, Georgina M.; Welch, Alan J.","1-[Chloro(diphenylphosphino)gold(I)-<i>P</i>]-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","1","13","15","10.1107/S0108270197013048","","","0.71073","MoKα","","0.0993","0.051","","0.1156","0.096","","","","1.05","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006902","11.8721","0.0007","15.406","0.002","7.1392","0.0005","90","","95.361","0.005","90","","1300.1","0.2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","","","2-(5-Chloro-2-nitrophenyl)thionicotinoyl Chloride","","- C12 H6 Cl2 N2 O3 S -","- C12 H6 Cl2 N2 O3 S -","- C48 H24 Cl8 N8 O12 S4 -","4","1","BK1348","Garcia, J. Gabriel; Haydar, Simon H.; Krapcho, A. Paul; Liu, Yen-Hsiang; Fronczek, Frank R.","2-(5-Chloro-2-nitrophenylthio)nicotinoyl Chloride","Acta Crystallographica Section C","1998","54","1","146","148","10.1107/S0108270197012870","","","1.54184","CuKα","","","0.047","","","0.061","","","","","1.62","1.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006903","12.616","0.004","5.336","0.002","12.571","0.004","90","","104.67","0.03","90","","818.7","0.5","294","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","0.5","BK1357","Kanno, Hideaki; Omotera, Yasuyoshi; Iijima, Kinya","2,2'-Bipyridine 1,1'-Dioxide","Acta Crystallographica Section C","1998","54","1","149","151","10.1107/S0108270197013814","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.836","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006904","9.2736","0.0002","11.4181","0.0002","20.5184","0.0003","90","","93.696","0.001","90","","2168.11","0.07","153","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(triphenylphosphinegold)-indoline-2,3-dione","","- C26 H19 Au N O2 P -","- C26 H19 Au N O2 P -","- C104 H76 Au4 N4 O8 P4 -","4","1","BM1167","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Grandberg, Kira I.","(2,3-Dioxoindolinyl-<i>N</i>)(triphenylphosphine-<i>P</i>)gold(I)","Acta Crystallographica Section C","1998","54","1","54","56","10.1107/S0108270197013437","","","0.71073","MoKα","","0.049","0.03","","0.07","0.06","","","","1.019","1.067","1.067","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006905","15.9349","0.0006","8.0535","0.0003","18.6618","0.0009","90","","90","","90","","2394.9","0.17","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","BM1189","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","Acta Crystallographica Section C","1998","54","1","123","125","10.1107/S0108270197012894","","","0.71073","MoKα","","0.0693","0.0421","","","","0.1045","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006906","11.48","0.005","8.114","0.003","11.882","0.004","90","","107.68","0.03","90","","1054.5","0.7","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","O-Phospho-L-tyrosine","","- C9 H12 N O6 P -","- C9 H11.5 N O6 P -","- C36 H46 N4 O24 P4 -","4","2","BS1022","Suga, Tamami; Inubushi, Chika; Okabe, Nobuo","<i>O</i>-Phospho-<small>L</small>-tyrosine","Acta Crystallographica Section C","1998","54","1","83","85","10.1107/S0108270197009827","","","0.71069","MoKα","","","0.121","","","0.13","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006907","6.068","0.002","11.118","0.003","24.925","0.005","90","","90","","90","","1681.5","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","\3a,\4b-Dihydroxy-5α-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","BS1035","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Costa, M. M. R. R.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4β-Dihydroxy-5α-androstan-17-one","Acta Crystallographica Section C","1998","54","1","89","91","10.1107/S0108270197009505","","","0.7093","MoKα","","0.064","0.034","","0.089","0.078","","","","1.056","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006908","7.4828","0.0008","12.126","0.001","14.179","0.002","90","","90","","90","","1286.6","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","CF1177","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. II","Acta Crystallographica Section C","1998","54","1","96","97","10.1107/S0108270197011426","","","0.71073","MoKα","","0.0988","0.041","","0.119","","0.0857","","","1.13","","","1.078","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006909","10.21","0.007","29.279","0.003","9.314","0.004","90","","90","","90","","2784","2","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C136 H136 O16 -","4","1","DE1056","Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka","(<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane","Acta Crystallographica Section C","1998","54","1","111","112","10.1107/S010827019700992X","","","0.7107","MoKα","","0.0671","0.0671","","0.1049","0.1049","","","","1.109","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006910","13.21","0.003","9.801","0.003","13.968","0.003","90","","91.728","0.012","90","","1807.6","0.8","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4H,9H-4,9-dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8- heptahydroimidazo[1,2,3,-i,j][1,8]naphthyridinium benzoate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","DE1059","Zhang, Jian-Heng; Chen, Xue-An; Li, Yan; Huang, Zhi-Tang","4,9-Dihydroxy-4,9-dimethyl-4<i>H</i>,9<i>H</i>-1,2,5,6,6a,7,8-heptahydroimidazo[1,2,3-<i>i</i>,<i>j</i>][1,8]naphthyridinium Benzoate","Acta Crystallographica Section C","1998","54","1","140","142","10.1107/S0108270197009529","","","0.71073","MoKα","","","0.0441","","0.111","","","","","0.919","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006911","10.506","0.001","14.39","0.001","6.471","0.001","90","","105.79","0.01","90","","941.38","0.19","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Structure of Synthetic Heptacobalt Tetrasodium Monophosphate Na~4~Co~7~(PO~4~)~6~","","- Co7 Na4 O24 P6 -","- Co7 Na4 O24 P6 -","- Co14 Na8 O48 P12 -","2","0.5","DU1180","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~","Acta Crystallographica Section C","1998","54","1","7","9","10.1107/S010827019701189X","","","0.71069","MoKα","","","0.038","","","","0.033","","","","","","1.284","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006912","8.3","0.002","14.813","0.005","27.654","0.006","90","","90","","90","","3400","1.6","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","chasmanthinine","","","- C36 H49 N O9 -","- C36 H49 N O9 -","- C144 H196 N4 O36 -","4","1","FG1328","Parvez, Masood; Gul, Waseem; Anwar, Saeed","Chasmanthinine","Acta Crystallographica Section C","1998","54","1","125","126","10.1107/S0108270197013449","","","1.54178","CuKα","","0.0605","0.0511","","0.1513","0.1262","","","","1.078","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006913","8.022","0.004","38.685","0.004","5.847","0.003","90","","90","","90","","1814.5","1.3","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.03","","","","0.0845","","","","","","1.71","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006914","9.506","0.001","17.643","0.002","11.96","0.001","90","","91.65","0.01","90","","2005","0.4","294","","294","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 Br N O S -","- C22 H18 Br N O S -","- C88 H72 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.0439","","","","0.1298","","","","","","3.63","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006915","38.032","0.003","7.373","0.004","7.725","0.004","90","","90","","90","","2166.2","1.6","294","","294","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H22 Br N O S -","- C24 H22 Br N O S -","- C96 H88 Br4 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.0331","","","","0.0824","","","","","","1.18","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006916","26.345","0.006","24.531","0.007","6.073","0.01","90","","90","","90","","3925","7","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C184 H168 N8 O16 S8 -","8","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.046","","","","0.122","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006917","10.338","0.003","18.947","0.001","8.548","0.001","90","","90","","90","","1674.3","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O S -","- C20 H15 N O S -","- C80 H60 N4 O4 S4 -","4","1","FG1356","Fu, Tai Y.; Scheffer, John R.; Trotter, James","<i>N</i>-Phenyl-<i>N</i>-(phenylthioxomethyl)benzamide","Acta Crystallographica Section C","1998","54","1","101","102","10.1107/S0108270197011244","","","1.5418","CuKα","","","0.042","","","","0.14","","","","","","2.73","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006918","11.6819","0.0014","15.2304","0.0016","16.349","0.002","90","","107.548","0.01","90","","2773.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-μ-[methylenebis(diphenylphosphine)]disilver(I) Bisperchlorate Bis(dichloromethane) Solvate","","- C52 H48 Ag2 Cl6 O8 P4 -","- C52 H48 Ag2 Cl6 O8 P4 -","- C104 H96 Ag4 Cl12 O16 P8 -","2","0.5","FG1371","Ahrens, Birte; Jones, Peter G.","Bis[μ-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I) Diperchlorate Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1998","54","1","16","18","10.1107/S0108270197011657","","","0.71073","MoKα","","0.0678","0.0358","","0.073","0.0671","","","","0.863","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006919","23.882","0.004","8.3285","0.0012","20.338","0.003","90","","90","","90","","4045.3","1.1","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG1379","Jones, Peter G.; Crespo, Olga","Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","18","20","10.1107/S0108270197013322","","","0.71073","MoKα","","0.0745","0.0437","","0.0907","0.0834","","","","0.931","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006920","15.865","0.004","11.886","0.006","20.252","0.004","90","","112.438","0.014","90","","3530","2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(o-tert-butylphenyl)-9-fluorenol","","- C23 H22 O -","- C23 H22 O -","- C184 H176 O8 -","8","2","FG1380","Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.","Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State","Acta Crystallographica Section C","1998","54","1","73","77","10.1107/S0108270197012638","","","0.71069","MoKα","","0.1362","0.0424","","0.149","","0.1074","","","1.012","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006921","10.7211","0.0011","15.186","0.002","10.4816","0.0008","90","","90","","90","","1706.5","0.3","296","","296","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","sp-9-(o-tert-butylphenyl)fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","FG1380","Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.","Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State","Acta Crystallographica Section C","1998","54","1","73","77","10.1107/S0108270197012638","","","0.71069","MoKα","","0.1041","0.038","","0.1225","","0.096","","","1.003","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006922","10.7794","0.001","7.8301","0.0008","11.8317","0.0012","90","","97.505","0.008","90","","990.09","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Amino-1-phenylsulfonyl-pyrazolin-3-one","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","2","FG1382","Elgemeie, Galal E.H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.","5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one","Acta Crystallographica Section C","1998","54","1","136","138","10.1107/S0108270197012420","","","0.71073","MoKα","","0.0417","0.0328","","0.0839","0.081","","","","1.04","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006923","4.71","0.001","14.5119","0.0015","12.212","0.0008","90","","100.151","0.01","90","","821.6","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 B N2 O -","- C8 H9 B N2 O -","- C32 H36 B4 N8 O4 -","4","1","FG1385","Robinson, Paul D.; Groziak, Michael P.; Chen, Liya","A 2-Alkyl Substituted 2,3,1-Benzodiazaborine","Acta Crystallographica Section C","1998","54","1","71","73","10.1107/S0108270197012432","","","0.71069","MoKα","","0.0911","0.0343","","0.1031","","0.0819","","","1.006","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006924","6.2591","0.0013","14.616","0.003","14.054","0.003","90","","96.71","0.03","90","","1276.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicholoro-bis(1,3-imidazolidine-2-thione)cadmium(II)","","- C6 H12 Cd Cl2 N4 S2 -","- C6 H12 Cd Cl2 N4 S2 -","- C24 H48 Cd4 Cl8 N16 S8 -","4","1","FR1043","Al-Arfaj, A. R.; Reibenspies, J. H.; Isab, A. A.; Hussain, M. Sakhawat","Dichlorobis(1,3-imidazolidine-2-thione-<i>S</i>)cadmium(II)","Acta Crystallographica Section C","1998","54","1","51","53","10.1107/S0108270197012092","","","0.71073","MoKα","","0.0568","0.0417","","0.1073","0.097","","","","1.051","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006925","9.538","0.002","9.603","0.002","9.769","0.002","82.46","0.03","64","0.03","61.59","0.03","704","0.4","293","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(1-methylimidazole-2yl-methyl)-1,3-diaminopropan-2-ol","","- C13 H18 N6 O -","- C13 H18 N6 O -","- C26 H36 N12 O2 -","2","1","FR1056","Vencato, Ivo; Neves, Ademir; Scarpellini, Marciela; Correia, Valdir R.","<i>N</i>,<i>N</i>'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL","Acta Crystallographica Section C","1998","54","1","97","99","10.1107/S0108270197010202","","","0.71073","MoKα","","0.0573","0.0409","","0.1909","0.1059","","","","1.093","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006926","7.126","0.001","8.795","0.001","15.082","0.001","73.41","0.01","85.82","0.01","76.78","0.01","881.85","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl2 Hg N2 S2 -","- C12 H22 Cl2 Hg N2 S2 -","- C24 H44 Cl4 Hg2 N4 S4 -","2","1","FR1061","Nuñez Gaytán, María Elena; Bernès, Sylvain; Rodríguez de San Miguel Guerrero, Eduardo; Bernal U., Juan Pablo; De Gyves, Josefina","First Hg^II^‒ω-Thiocaprolactam Complex","Acta Crystallographica Section C","1998","54","1","49","51","10.1107/S0108270197012444","","","0.71073","MoKα","","0.056","0.038","","0.087","0.08","","","","1.03","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006927","9.279","0.001","17.633","0.002","15.505","0.001","90","","106.35","0.01","90","","2434.3","0.4","294","","294","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 Co N6 O4 -","- C22 H29 Co N6 O4 -","- C88 H116 Co4 N24 O16 -","4","2","FR1066","Gage, Jennifer L.; Weakley, Timothy J.R.; Branchaud, Bruce P.","Bis[2,3-butanedione dioximato(1‒)-<i>N</i>,<i>N</i>'](pyridine){[(<i>R</i>)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III)","Acta Crystallographica Section C","1998","54","1","22","24","10.1107/S0108270197012663","","","0.71073","MolybdenumKα","","0.06","0.039","","","","0.082","","","","","","1.33","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006928","12.602","0.002","13.0428","0.001","19.074","0.003","90","","94.289","0.007","90","","3126.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(η^5^-Pentamethylcyclopentadienyl)chromium(III) (η^5^- Pentamethylcyclopentadienyl)trichlorochromium(III)","","- C30 H45 Cl3 Cr2 -","- C30 H45 Cl3 Cr2 -","- C120 H180 Cl12 Cr8 -","4","1","FR1067","Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P.","Structure of the Chromium(III) Salt [Cp^*^~2~Cr]^+^[Cp^*^CrCl~3~]^{-^}","Acta Crystallographica Section C","1998","54","1","47","49","10.1107/S0108270197011256","","","0.71073","MoKα","","0.0738","0.0528","","0.1467","0.129","","","","1.153","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006929","11.1567","0.0005","25.439","0.002","11.7631","0.0006","90","","90","","90","","3338.5","0.3","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","Cobalt(3,5-di-t-butylsaltmen)","Bis[N,N,N',N'-tetramethyl-1,2-diaminoethane-1,2-bis(3,5-di-t-butyl- salicylideneiminato)]cobalt(II)","","- C36 H54 Co N2 O2 -","- C36 H51 Co N2 O2 -","- C144 H204 Co4 N8 O8 -","4","0.5","FR1070","Lyon, David K.; Miller, Brian E.; Miller, Warren K.; Tyler, David R.; Weakley, Timothy J. R.","[<i>N</i>,<i>N</i>'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-<i>tert</i>-butylsalicylideneiminato)]cobalt(II)","Acta Crystallographica Section C","1998","54","1","20","22","10.1107/S010827019701264X","","","0.71073","MoKα","","","0.04","","","0.045","","","","","2.33","2.33","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006930","13.979","0.002","12.608","0.007","8.024","0.002","90","","90","","90","","1414.2","0.9","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 O2 -","- C20 H12 O2 -","- C80 H48 O8 -","4","0.5","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.058","","","","0.177","","","","","","1.087","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006931","12.274","0.003","7.957","0.003","15.444","0.003","90","","90","","90","","1508.3","0.7","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H12 O3 -","- C20 H12 O3 -","- C80 H48 O12 -","4","1","FR1071","Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.","Photochemistry of Triptycene-1,4-quinone","Acta Crystallographica Section C","1998","54","1","116","119","10.1107/S0108270197012109","","","0.7107","MoKα","","","0.037","","","","0.103","","","","","","1.078","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006932","28.019","0.005","5.432","0.001","8.055","0.005","90","","95.37","0.06","90","","1220.6","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis(4-butoxyphenyl)terephthalate","","- C28 H30 O6 -","- C28 H30 O6 -","- C56 H60 O12 -","2","0.5","HA1195","Centore, Roberto; Tuzi, Angela","Bis(4-butoxyphenyl) Terephthalate","Acta Crystallographica Section C","1998","54","1","107","109","10.1107/S0108270197010640","","","1.54178","CuKα","","0.065","0.046","","","0.068","","","","","1.895","1.895","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2006933","8.545","0.001","9.643","0.001","10.807","0.001","88.8","0.01","67.61","0.01","82.98","0.01","816.87","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-3- Benzylidene Isoindolin-1- one","N-Benzyl-3- Benzylidene Isoindolin-1- one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","HA1197","M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu","<i>N</i>-Benzyl-3-benzylideneisoindolin-1-one","Acta Crystallographica Section C","1998","54","1","119","120","10.1107/S0108270197011979","","","1.5418","CuKα","","0.0463","0.0438","","0.1206","0.1184","","","","1.112","1.137","1.137","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006934","11.356","0.002","13.243","0.002","20.002","0.003","90","","90","","90","","3008.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 3,7-Hypoxanthyldiacetate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C104 H128 N32 O40 -","8","1","JZ1236","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","Diethyl 3,7-Hypoxanthyldiacetate","Acta Crystallographica Section C","1998","54","1","114","116","10.1107/S0108270197011906","","","1.54178","CuKα","","0.049","0.042","","0.125","0.118","","","","1.057","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006935","9.291","0.005","11.773","0.005","13.079","0.009","108.1","0.05","92.96","0.05","96.01","0.04","1347","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquadicyanonitrosomethanidobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide","","- C30 H18 Cu N10 O3 -","- C30 H18 Cu N10 O3 -","- C60 H36 Cu2 N20 O6 -","2","1","KA1234","Mikloš, Dušan; Potočňák, Ivan; Dunaj-Jurčo, Michal; Jäger, Lothar","Aqua(dicyanonitrosomethanido-<i>O</i>)bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Dicyanonitrosomethanide","Acta Crystallographica Section C","1998","54","1","33","36","10.1107/S0108270197010251","","","0.71073","MoKα","","0.148","0.04","","0.099","0.084","","","","0.784","1.07","1.07","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2006936","6.574","0.002","13.798","0.002","14.838","0.003","90","","90","","90","","1345.9","0.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","KA1241","Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid","1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone","Acta Crystallographica Section C","1998","54","1","128","130","10.1107/S0108270197008858","","","0.71093","MoKα","","0.132","0.049","","0.18","0.14","","","","1.101","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006937","13.5174","0.0014","13.919","0.0013","17.0708","0.0015","90","","90","","90","","3211.8","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate","4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate","","- C16 H18 B F4 N O2 -","- C16 H18 B F4 N O2 -","- C128 H144 B8 F32 N8 O16 -","8","1","KA1254","De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","138","140","10.1107/S0108270197012559","","","0.71073","MoKα","","0.071","0.038","","0.103","0.094","","","","0.891","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006938","6.451","0.002","13.307","0.002","8.885","0.002","90","","95.1","0.04","90","","759.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-[bis(N-methylpiperazine)dichloroplatinum(II)]","","- C10 H24 Cl2 N4 Pt -","- C10 H24 Cl2 N4 Pt -","- C20 H48 Cl4 N8 Pt2 -","2","0.5","LN1009","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Platinum(II) Complexes of Piperazine (and Derivatives): <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II)","Acta Crystallographica Section C","1998","54","1","27","29","10.1107/S0108270197012353","","","0.7107","MoKα","","0.0441","0.0242","","0.0706","0.0635","","","","1.018","1.104","1.104","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006939","11.845","0.001","14.149","0.001","14.766","0.001","90.206","0.007","108.131","0.005","91.112","0.005","2351.3","0.3","193.2","","193.2","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 F10 N O3 P -","- C21 H18 F10 N O3 P -","- C84 H72 F40 N4 O12 P4 -","4","2","LN1014","Charles F. Campana; Katherine W. Oliver; Steven J. Rettig; Robert C. Thompson; James Trotter; Shihua Xia","2,2,6,6-Tetramethyl-4-oxopiperidinium Bis(pentafluorophenyl)phosphinate","Acta Crystallographica Section C","1998","54","1","99","101","10.1107/S0108270197011281","","","0.71073","MoKα","","","0.06","","","","0.112","","","","","","2.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006940","10.747","0.002","27.457","0.004","17.837","0.003","90","","90","","90","","5263.3","1.5","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","trans-chloro-bis[ethylene-bis(diethylphosphine)]hydrido-iron(II)","","- C20 H49 Cl Fe P4 -","- C20 H49 Cl Fe P4 -","- C160 H392 Cl8 Fe8 P32 -","8","1","LN1021","Wiesler, Beatrix; Tuczek, Felix; Näther, Christian; Bensch, Wolfgang","[FeHCl(C~10~H~24~P~2~)~2~]","Acta Crystallographica Section C","1998","54","1","44","46","10.1107/S0108270197012754","","","0.71073","MoKα","","0.0823","0.0474","","0.1568","0.126","","","","1.073","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006941","8.994","0.003","16.534","0.004","9.428","0.002","90","","118.11","0.03","90","","1236.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LN1023","Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè","3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one","Acta Crystallographica Section C","1998","54","1","79","81","10.1107/S0108270197012365","","","0.71069","MoKα","","0.104","0.066","","0.312","0.197","","","","0.985","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006942","10.232","0.003","10.685","0.006","13.321","0.003","102.06","0.03","103.11","0.02","108.08","0.03","1285.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ismine","6-[2-(Methylamino)phenyl]-1,3-benzodioxole-5-methanol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","2","LN1026","Viladomat, Francesc; Codina, Carles; Bastida, Jaume; Solans, Xavier; Font-Bardia, Mercè","Ismine","Acta Crystallographica Section C","1998","54","1","81","82","10.1107/S0108270197012122","","","0.71069","MoKα","","0.0536","0.0472","","0.14","0.1376","","","","0.986","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006943","7.983","0.002","10.908","0.001","9.264","0.001","90","","114.51","0.01","90","","734","0.2","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","LN1034","Avery, Tom D.; Taylor, Dennis K.; Tiekink, Edward R.T.","3,3''-Dimethyl-1,1':4',1''-terphenyl","Acta Crystallographica Section C","1998","54","1","148","149","10.1107/S0108270197012900","","","1.5418","CuKα","","","0.053","","","0.068","","","","","2.828","2.828","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006944","6.358","0.005","10.463","0.005","12.842","0.005","90","","94.57","0.05","90","","851.6","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C32 H52 N4 O6 -","2","1","NA1318","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana","Chiral Hydroxylamines. V. (2<i>S</i>,3<i>S</i>)-<i>N</i>-Benzyl-<i>N</i>-[3-(<i>tert</i>-butoxycarbonylamino)-2-butyl]hydroxylamine","Acta Crystallographica Section C","1998","54","1","85","86","10.1107/S0108270197013267","","","0.71069","MoKα","","0.073","0.0505","","0.1481","0.1292","","","","1.025","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006945","11.019","0.002","6.844","0.002","21.424","0.003","90","","93.8","0.01","90","","1612.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[bis(nicotinamide-N^1^)diaquacopper(II)-μ-sulfato-O:O']","","- C12 H16 Cu N4 O8 S -","- C12 H16 Cu N4 O8 S -","- C48 H64 Cu4 N16 O32 S4 -","4","1","NA1322","Kozlevčar, Bojan; Leban, Ivan; Sieler, Joachim; Šegedin, Primož","<i>catena</i>-Poly[diaquabis(nicotinamide-<i>N</i>^1^)copper(II)-μ-sulfato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","1","39","41","10.1107/S0108270197012547","","","0.71073","MoKα","","0.0772","0.0471","","","","0.1428","","","","","","1.012","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006946","9.221","0.004","9.221","0.004","14.006","0.006","90","","90","","120","","1031.3","0.8","293","","293","","","","","","","","","3","P 32","P 32","145","8α-Hydroxy-11α,13-dihydrozaluzanin C","Decahydro-4,8-dihydroxy-3-methyl-6,9- bis(methylene)-azuleno[4,5-b]furan-2(3H)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C45 H60 O12 -","3","1","NA1327","Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao","8α-Hydroxy-11α,13-dihydrozaluzanin C","Acta Crystallographica Section C","1998","54","1","113","114","10.1107/S0108270197012924","","","0.71069","MoKα","","0.0855","0.0445","","0.1466","","0.1211","","","0.92","","","0.926","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006947","3.733","0.003","8.009","0.002","11.508","0.002","90","","92.46","0.03","90","","343.7","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C8 H20 N4 O8 -","2","0.5","OA1034","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion","Acta Crystallographica Section C","1998","54","1","142","145","10.1107/S0108270197013796","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006948","7.236","0.002","6.275","0.002","15.46","0.002","90","","99.55","0.01","90","","692.2","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C20 H44 N4 O8 -","2","0.5","OA1034","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion","Acta Crystallographica Section C","1998","54","1","142","145","10.1107/S0108270197013796","","","0.71073","MoKα","","","0.055","","","0.045","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006949","20.913","0.007","10.868","0.008","12.03","0.01","90","","100.45","0.04","90","","2689","3","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(4,6-dibromo-o-tolyl)-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinoline- 2,4(3H,10H)-dione","","- C29 H27 Br2 N3 O3 -","- C29 H27 Br2 N3 O3 -","- C116 H108 Br8 N12 O12 -","4","2","OA1036","Yasushi Kawai; Jun Kunitomo; Atsuyoshi Ohno","First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative","Acta Crystallographica Section C","1998","54","1","77","79","10.1107/S0108270197013838","","","0.71069","MoKα","","0.052","0.034","","0.066","0.052","","","","0.828","0.862","0.862","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006950","8.142","0.001","13.393","0.001","14.822","0.001","90","","100.88","0.07","90","","1587.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Trimethyl isocyanurate","1,3,5-Trimethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.074","0.053","","0.163","0.152","","","","1.088","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006951","7.835","0.002","8.144","0.001","16.82","0.005","90","","90","","90","","1073.3","0.4","293","2","121","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Triethyl isocyanurate","1,3,5-Triethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","1","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.044","0.038","","0.107","0.096","","","","1.074","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006952","8.1249","0.0015","10.9","0.002","10.132","0.002","90","","107.57","0.02","90","","855.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Azidobenzenesulfonyl chloride","","- C6 H4 Cl N3 O2 S -","- C6 H4 Cl N3 O2 S -","- C24 H16 Cl4 N12 O8 S4 -","4","1","QA0025","Ziemer, Burkhard; Sauer, Erika","4-Azidobenzenesulfonyl Chloride","Acta Crystallographica Section C","1998","54","1","IUC9700034","","10.1107/S0108270198099879","","","0.71071","MoKα","","0.0362","0.0319","","0.1352","0.0918","","","","1.102","1.142","1.142","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006953","7.453","0.001","13.789","0.001","20.497","0.002","90","","90","","90","","2106.5","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Fe2 O4 -","- C24 H18 Fe2 O4 -","- C96 H72 Fe8 O16 -","4","1","QA0027","Kempmann, Christoph; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(3a<i>S</i>,4<i>S</i>)-(+)-[μ-1(<i>O</i>,4,5,α-η):2(1,2,3,3a,7a-η)-5-benzylidene-6,7-dihydro-4(5<i>H</i>)-indenone]tricarbonyl-1κ^3^<i>C</i>-[2(η^5^)-cyclopentadienyl]diiron","Acta Crystallographica Section C","1998","54","1","IUC9700033","","10.1107/S0108270198099880","","","0.71069","MoKα","","0.044","0.0297","","0.0734","0.0675","","","","1.041","1.062","1.062","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006954","8.06","0.002","5.9206","0.0009","22.638","0.006","90","","91.99","0.03","90","","1079.6","0.4","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ortho bis(selenocyanatato)xylene","αα'-diselenocyanatorthoxylene","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","SK1107","McWhinnie, Sean L.W.; Brooks, Adam B.; Abrahams, Isaac","αα'-Diselenocyanato-<i>ortho</i>-xylene","Acta Crystallographica Section C","1998","54","1","126","128","10.1107/S0108270197012262","","","0.71069","MoKα","","0.0575","0.0428","","0.1327","0.1279","","","","0.986","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006955","4.488","0.0011","11.4945","0.0013","16.6699","0.0015","90","","92.868","0.003","90","","858.9","0.2","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","SK1113","Ülkü, Din ̧cer; Tahir, M. Nawaz; Demir, Ayhan S.; Aksoy-Çam, Hilal","Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate","Acta Crystallographica Section C","1998","54","1","94","95","10.1107/S0108270197009852","","","0.71069","MoKα","","","0.061","","","0.063","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006956","12.504","0.003","5.575","0.001","14.45","0.002","90","","102.3","0.01","90","","984.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N6 O2 S2 -","- C18 H20 Cu N6 O2 S2 -","- C36 H40 Cu2 N12 O4 S4 -","2","0.5","SK1119","Duan, Chun-ying; You, Xiao-Zeng; T.C.W. Mak","Bis(4-methoxybenzaldehyde thiosemicarbazonato-<i>S</i>,<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","1998","54","1","31","33","10.1107/S0108270197012298","","","0.71073","MoKα","","0.0593","0.0389","","0.1321","0.1196","","","","1.068","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006957","10.13","0.001","31.398","0.002","10.7388","0.0009","90","","90.852","0.007","90","","3415.2","0.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","(Z)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydro- isobenzofuran","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","2","SK1131","Thalji, Reema K.; Ramos, Bethzaida; Garcia, J. Gabriel; Fronczek, Frank R.","(<i>Z</i>)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydroisobenzofuran","Acta Crystallographica Section C","1998","54","1","109","111","10.1107/S0108270197012304","","","1.54184","CuKα","","","0.051","","","0.044","","","","","1.512","1.512","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006958","7.433","0.003","12.128","0.005","17.826","0.004","90","","90","","90","","1607","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","SK1137","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione","Acta Crystallographica Section C","1998","54","1","92","93","10.1107/S0108270197012316","","","0.71073","MoKα","","0.064","0.032","","0.078","","0.078","","","1.043","","","1.043","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006959","6.4806","0.0012","13.8928","0.0015","10.9886","0.0009","90","","92.738","0.01","90","","988.2","0.2","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-bis(2,2'-dipyrromethyl)benzene","1,4-bis(2,2'-dipyrromethyl)benzene","","- C24 H22 N4 -","- C24 H22 N4 -","- C48 H44 N8 -","2","0.5","SK1144","Bennis, Vanessa; Gallagher, John F.","N—Hπ(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene","Acta Crystallographica Section C","1998","54","1","130","132","10.1107/S0108270197012328","","","0.71073","MoKα","","0.218","0.058","","0.104","","0.104","","","0.829","","","0.829","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006960","9.8982","0.0001","20.4966","0.0002","9.7322","0.0001","90","","112.472","0.001","90","","1824.54","0.03","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-2,4,6-triphenylpyridine","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","SK1146","Bolte, Michael","3-Methoxy-2,4,6-triphenylpyridine at 173K","Acta Crystallographica Section C","1998","54","1","132","134","10.1107/S0108270197012778","","","0.71073","MoKα","","0.0331","0.0321","","0.0855","0.0841","","","","1.048","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006961","9.022","0.003","11.615","0.004","14.787","0.006","90","","99.44","0.04","90","","1528.6","1","295","1","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N O3 -","- C16 H16 Br N O3 -","- C64 H64 Br4 N4 O12 -","4","1","SX1023","Rivera-Gandia, Joel; Morales, Neftali; Cox, Osvaldo; Huang, Songping D.","<i>N</i>-(<i>o</i>-Tolyl)-2-bromo-4,5-dimethoxybenzamide","Acta Crystallographica Section C","1998","54","1","69","71","10.1107/S0108270197011839","","","0.7107","MoKα","","","0.069","","","0.072","","","","","2.425","2.425","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006962","10.557","0.004","14.518","0.005","11.094","0.003","90","","104.51","0.02","90","","1646.1","1","295","1","295.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br2 Cl N2 O2 S -","- C15 H9 Br2 Cl N2 O2 S -","- C60 H36 Br8 Cl4 N8 O8 S4 -","4","1","SX1024","Alarcòn, Riquelio; Cox, Osvaldo; Rivera, Luis A.; Huang, Songping D.","<i>erythro</i>-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane","Acta Crystallographica Section C","1998","54","1","68","69","10.1107/S0108270197011840","","","0.7107","MoKα","","","0.053","","","0.061","","","","","1.905","1.905","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006963","9.032","0.003","9.897","0.002","16.231","0.003","90","","90","","90","","1450.9","0.6","295","1","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","SX1025","Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D.","Methoxyamericanolide B","Acta Crystallographica Section C","1998","54","1","66","68","10.1107/S0108270197011852","","","0.7107","MoKα","","","0.0504","","","0.0632","","","","","1.783","1.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006964","8.115","0.001","8.271","0.001","10.035","0.002","76.28","0.01","79.13","0.01","61.79","0.01","574.3","0.16","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C20 H28 N4 O4 S2 -","2","1","SX1030","Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.","Conformational Polymorphs of Acetone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","57","60","10.1107/S0108270197011669","","","1.5418","CuKα","","","0.04","","","0.062","","","","","3.166","3.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006965","9.7369","0.0008","8.0691","0.0008","14.776","0.001","90","","96.037","0.007","90","","1154.48","0.17","173","","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C40 H56 N8 O8 S4 -","4","1","SX1030","Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.","Conformational Polymorphs of Acetone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","57","60","10.1107/S0108270197011669","","","1.5418","CuKα","","","0.043","","","0.062","","","","","2.835","2.835","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006966","8.544","0.002","9.308","0.001","16.603","0.002","90","","98.21","0.01","90","","1306.9","0.4","173","2","173.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","SX1031","Charles R. Ojala; William H. Ojala; William B. Gleason","By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide","Acta Crystallographica Section C","1998","54","1","60","63","10.1107/S0108270197011670","","","1.5418","CuKα","","","0.052","","","0.073","","","","","1.62","1.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006967","15.785","0.001","10.7397","0.0009","9.492","0.002","90","","90.168","0.01","90","","1609.1","0.4","296","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","1","SX1031","Charles R. Ojala; William H. Ojala; William B. Gleason","By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide","Acta Crystallographica Section C","1998","54","1","60","63","10.1107/S0108270197011670","","","1.5418","CuKα","","","0.082","","","0.121","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006968","8.268","0.001","8.483","0.001","10.802","0.002","108.85","0.02","101.33","0.02","111.43","0.01","623.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C24 H32 N4 O4 S2 -","2","1","SX1033","William H. Ojala; William B. Gleason","Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","63","66","10.1107/S0108270197011682","","","1.5418","CuKα","","","0.0453","","","0.0583","","","","","2.656","2.656","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006969","10.1893","0.0008","11.0454","0.0008","6.1106","0.0005","99.258","0.006","93.769","0.007","75.799","0.005","657.77","0.09","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C26 H36 N4 O4 S2 -","2","1","SX1033","William H. Ojala; William B. Gleason","Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone","Acta Crystallographica Section C","1998","54","1","63","66","10.1107/S0108270197011682","","","1.5418","CuKα","","","0.0342","","","0.0385","","","","","2.194","2.194","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006970","10.236","0.002","10.258","0.002","18.827","0.004","90","","105.1","0.02","90","","1908.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","SX1041","Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon","7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1998","54","1","134","136","10.1107/S0108270197012341","","","1.54178","CuKα","","0.0436","0.0362","","0.1021","0.0953","","","","1.071","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006971","4.606","0.001","4.606","0.001","9.348","0.002","90","","90","","120","","171.75","0.06","295","","295","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Al2.03 B4 La O10.54 -","- Al2.028 B4 La O10.54 -","- Al2.028 B4 La O10.54 -","1","0.0833333","TA1153","Yang, P.; Yu, Wentao; Wang, J.Y.; Wei, J.Q.; Liu, Y.G.","LaAl~2.03~(B~4~O~10~)O~0.54~","Acta Crystallographica Section C","1998","54","1","11","12","10.1107/S010827019701072X","","","0.71073","MoKα","","0.0373","0.0247","","0.119","0.063","","","","1.091","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006972","7.675","0.001","25.4","0.007","7.27","0.002","90","","90","","90","","1417.3","0.6","295.2","","295.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H15 Cl N4 O4 Pt -","- C9 H15 Cl N4 O4 Pt -","- C36 H60 Cl4 N16 O16 Pt4 -","4","1","TA1154","Restrepo, Gerson F.; Barnes, Charles L.; Cádiz, Mayra E.; Olivero, Eneida; Huang, Songping D.","<i>cis</i>-Diamminechloro(2,5-dimethylbenzoxazole-<i>N</i>^1^)platinum(II) Nitrate","Acta Crystallographica Section C","1998","54","1","15","16","10.1107/S0108270197011116","","","0.7107","MoKα","","","0.029","","","0.033","","","","","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006973","10.94","0.001","10.94","0.001","10.94","0.001","90","","90","","90","","1309.4","0.3","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- H54 Mo12 N3 O61 P -","- Mo12 N15 O53 P -","- Mo12 N15 O53 P -","1","0.0208333","","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Yang, Guang-Di; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~3~[PMo~12~O~40~].21H~2~O","Acta Crystallographica Section C","1998","54","1","9","11","10.1107/S0108270197011128","","","","","","","0.0591","","","0.138","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006974","7.885","0.001","7.885","0.001","6.727","0.001","90","","90","","120","","362.21","0.08","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Ga3 O7 P -","- Ga3 O7 P -","- Ga9 O21 P3 -","3","0.166667","","Sophie Boudin; Kwang-Hwa Lii","Ga~3~PO~7~","Acta Crystallographica Section C","1998","54","","05","07","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006975","7.1486","0.0014","11.163","0.002","10.145","0.002","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Fe1.78 Ge2.11 Mg0.11 O9 Pb2 -","- Fe1.786 Ge2.107 Mg0.107 O9 Pb2 -","- Fe7.144 Ge8.428 Mg0.428 O36 Pb8 -","4","0.5","","Barbier, Jacques; Lévy, David","Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite","Acta Crystallographica Section C","1998","54","","02","05","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006976","8.815","0.001","10.905","0.001","13.21","0.002","95.46","0.01","108.26","0.01","107.74","0.01","1122.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N- acetato-N,N',N'',N''',O)copper(II) Bromide Monohydrate","","- C18 H39 Br Cu N4 O3 -","- C18 H39 Br Cu N4 O3 -","- C36 H78 Br2 Cu2 N8 O6 -","2","1","TA1176","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Chung, Chung-Sun; Chen, Yuan-Jang; Kwan, Keh-Shin","(<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>^1^-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>)copper(II) Bromide Monohydrate","Acta Crystallographica Section C","1998","54","1","25","27","10.1107/S010827019701113X","","","0.71073","MoKα","","0.083","0.048","","0.123","0.106","","","","1.024","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006977","10.174","0.003","11.482","0.003","15.583","0.003","87.23","0.02","87.63","0.02","66.21","0.02","1663.3","0.8","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","- C52 H64 Fe2 N20 Nd2 O16 -","1","0.5","TA1180","Yi, Tao; Gao, Song; Chen, Xiong-Wei; Yan, Chun-Hua; Li, Biao-Guo","A Cyano-Bridged Ionic Pair Complex: [FeNd~2~(CN)~6~(C~10~H~8~N~2~)~4~(H~2~ O)~8~][Fe(CN)~6~].8H~2~O","Acta Crystallographica Section C","1998","54","1","41","43","10.1107/S0108270197012675","","","0.71073","MoKα","","0.0331","0.0276","","","","0.07","","","","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006978","13.451","0.003","14.746","0.003","9.402","0.003","90","","90","","90","","1864.9","0.8","299","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-Bis(acetylacetonato)(3-methylpyridine)nitrocobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C64 H84 Co4 N8 O24 -","4","0.5","TA1185","Miyazaki, Hiroki; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>trans</i>-Bis(acetylacetonato-<i>O</i>,<i>O</i>')(3-methylpyridine-<i>N</i>)nitrocobalt(III)","Acta Crystallographica Section C","1998","54","1","46","47","10.1107/S0108270197012699","","","0.71073","MoKα","","","0.048","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006979","6.251","0.0011","8.187","0.002","11.784","0.002","91.43","0.02","94.74","0.02","90.56","0.02","600.8","0.2","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br2 O3 -","- C12 H10 Br2 O3 -","- C24 H20 Br4 O6 -","2","1","TA1186","Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John","<i>endo</i>-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal","Acta Crystallographica Section C","1998","54","1","151","152","10.1107/S010827019701278X","","","0.71073","MoKα","","0.0488","0.0345","","0.0875","0.0808","","","","1.073","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006980","10.694","0.001","13.481","0.001","15.307","0.002","90","","94.32","0.01","90","","2200.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(±)- 7,7,9,9-tetramethyl-2,3:4,5-di(naphtho)-1,6,8-trioxa- 7,9-disila-cyclonona-2,4-diene","","- C24 H24 O3 Si2 -","- C24 H24 O3 Si2 -","- C96 H96 O12 Si8 -","4","1","VJ1062","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","(±)-7,7,9,9-Tetramethyl-2,3:4,5-dinaphtho-1,6,8-trioxa-7,9-disilacyclonona-2,4-diene","Acta Crystallographica Section C","1998","54","1","145","146","10.1107/S0108270197010317","","","0.71073","MoKα","","0.0713","0.0404","","0.1637","0.1217","","","","0.489","0.479","0.479","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006981","10.88","0.004","8.875","0.003","11.845","0.005","90","","100.89","0.06","90","","1123.2","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H26 N O4 -","- C54 H52 N2 O8 -","2","1","AB1492","Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1998","54","2","267","269","10.1107/S0108270197009128","","","0.71069","MoKα","","0.084","0.061","","0.158","","0.142","","","1.079","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006982","10.301","0.003","4.8869","0.0012","11.51","0.002","90","","91.102","0.019","90","","579.3","0.2","122","2","122","2","","","","","","","","4","C 1 2 1","C 2y","5","Cyclothreonine","(4S,5R)-4-Amino-5-methyl-3-isoxazolidinone","","- C4 H9 N2 O2.5 -","- C4 H9 N2 O2.5 -","- C16 H36 N8 O10 -","4","1","AB1493","Anthoni, Uffe; Fatum, Tine Muxoll; Flensburg, Claus","Cyclothreonine at 122K","Acta Crystallographica Section C","1998","54","2","240","242","10.1107/S0108270197013887","","","1.54184","CuKα","","0.0254","0.0253","","0.0664","0.0663","","","","1.084","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006983","6.9732","0.0011","25.252","0.003","9.678","0.0011","90","","93.386","0.01","90","","1701.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 B9 Mo O2 S -","- C9 H21 B9 Mo O2 S -","- C36 H84 B36 Mo4 O8 S4 -","4","1","AB1502","Johansen, Kjeld; Rosair, Georgina M.; Weller, Andrew S.; Welch, Alan J.","3-(η^3^-Allyl)-3,3-dicarbonyl-4-(dimethyl sulfido)-3,1,2-molybdadicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","2","214","217","10.1107/S0108270197011372","","","0.71073","MoKα","","0.1213","0.048","","0.1413","0.0895","","","","1.03","1.008","1.008","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006984","4.8789","0.001","15.011","0.003","9.2835","0.0019","90","","99.46","0.03","90","","670.7","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Keto[14]aneS~4~","1,4,8,11-Tetrathiacyclotetradecan-6-one","","- C10 H18 O S4 -","- C10 H18 O S4 -","- C20 H36 O2 S8 -","2","1","AB1526","Blake, Alexander J.; Li, Wan-Sheung; Sutton, Liam R.; Schröder, Martin","1,4,8,11-Tetrathiacyclotetradecan-6-one","Acta Crystallographica Section C","1998","54","2","245","247","10.1107/S0108270197017423","","","0.71073","MoKα","","0.0218","0.0204","","","","0.0519","","","","","","1.111","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006985","9.3482","0.0002","7.0493","0.0003","18.0924","0.0007","90","","90","","90","","1192.26","0.07","161","2","161","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C44 H64 Cl4 N4 O8 -","4","1","","Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart","Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)","Acta Crystallographica Section C","1998","54","2","229","231","10.1107/S0108270197012390","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006986","13.705","0.002","32.939","0.004","11.6224","0.0013","90","","90","","90","","5246.7","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","bis(dimethylamine)-trichloro-tris(tert-butyloxy)-ditungsten","","- C16 H41 Cl3 N2 O3 W2 -","- C16 H41 Cl3 N2 O3 W2 -","- C128 H328 Cl24 N16 O24 W16 -","8","1","BK1344","Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu","A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~]","Acta Crystallographica Section C","1998","54","2","225","227","10.1107/S010827019700872X","","","0.71069","MoKα","","0.059","0.039","","0.094","0.0844","","","","1.14","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006987","21.311","0.004","3.908","0.0008","27.581","0.006","90","","97.49","0.03","90","","2277.4","0.8","163","2","163","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H6 Cl2 S2 -","- C12 H6 Cl2 S2 -","- C96 H48 Cl16 S16 -","8","1","BK1346","Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H.","2,7-Dichlorothianthrene","Acta Crystallographica Section C","1998","54","2","266","267","10.1107/S0108270197012018","","","0.71073","MoKα","","0.043","0.032","","0.085","0.081","","","","1.05","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006988","12.89","0.006","11.187","0.004","29.565","0.013","90","","90","","90","","4263","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C144 H208 N48 O64 -","16","2","BM1120","Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V.","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","Acta Crystallographica Section C","1998","54","2","271","273","10.1107/S0108270197013279","","","0.71073","MoKα","","0.2209","0.0802","","0.3034","0.1457","","","","1.094","1.365","1.365","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006989","13.803","0.003","10.78","0.016","17.272","0.007","90","","90","","90","","2570","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O5 S -","- C13 H8 N2 O5 S -","- C104 H64 N16 O40 S8 -","8","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0766","0.0392","","","","0.1067","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006990","7.149","0.004","8.178","0.005","16.556","0.003","90","","93.15","0.03","90","","966.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0894","0.0441","","","","0.1079","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006991","8.8328","0.0002","9.4173","0.0002","16.1617","0.0003","96.941","0.001","98.159","0.001","101.396","0.001","1289.06","0.05","153","2","150","2","","","","","","","","6","P -1","-P 1","2","","1-(N-triphenylphosphinegold)-amino-anthracene-9,10-dione","","- C32 H23 Au N O2 P -","- C32 H23 Au N O2 P -","- C64 H46 Au2 N2 O4 P2 -","2","1","BM1166","Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.","(9,10-Dioxo-9,10-dihydro-1-anthrylaminato-<i>N</i>)(triphenylphosphine-<i>P</i>)gold","Acta Crystallographica Section C","1998","54","2","212","214","10.1107/S0108270197012985","","","0.71073","MoKα","","0.031","0.025","","0.064","0.055","","","","1.12","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006992","21.511","0.005","21.511","0.005","6.369","0.009","90","","90","","120","","2552","4","150","2","150","2","","","","","","","","6","R 3 :H","R 3","146","","6-α-Chloro-3-α-Hydroximethyl-2,2-Dimethyl-Penam-1,1-Dioxide,","","- C8 H12 Cl N O4 S -","- C8 H12 Cl N O4 S -","- C72 H108 Cl9 N9 O36 S9 -","9","1","BM1175","Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte","6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide","Acta Crystallographica Section C","1998","54","2","242","244","10.1107/S0108270197013103","","","0.71073","MoKα","","0.0291","0.0227","","0.0601","0.0582","","","","1.062","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006993","9.766","0.002","16.184","0.003","13.456","0.002","90","","100.82","0.02","90","","2089","0.7","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3,3,2'-Tetramethylspiro[indoline-2,3'-[3H]phenanthro[9,10-b][1,4]oxazine]","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","BM1186","Liang, Yong-Chao; Chen, Xue-An; Zhao, Ling; Zhang, Qi-Yuan; Chen, Jian-Xin; Ming, Yang-Fu; Fan, Mei-Gong","1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine","Acta Crystallographica Section C","1998","54","2","279","281","10.1107/S0108270197014637","","","0.71073","MoKα","","","0.0398","","0.1086","0.1011","","","","0.946","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006994","5.624","0.0011","7.765","0.002","8.569","0.002","73.85","0.03","83.62","0.03","88.93","0.03","357.19","0.15","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","BM1194","Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes","Acta Crystallographica Section C","1998","54","2","231","233","10.1107/S0108270197014649","","","0.71073","MoKα","","0.0674","0.0464","","0.1287","0.1124","","","","1.054","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006995","6.9093","0.0009","12.38","0.002","7.3256","0.0011","90","","107.781","0.01","90","","596.68","0.16","220","0.2","220","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","BM1194","Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes","Acta Crystallographica Section C","1998","54","2","231","233","10.1107/S0108270197014649","","","1.54184","CuKα","","0.0583","0.0422","","0.1027","0.095","","","","1.097","1.175","1.175","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006996","6.355","0.0009","6.355","0.0009","4.449","0.0009","90","","90","","90","","179.68","0.05","293","2","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Li2 O5 Si V -","- Li2 O5 Si V -","- Li4 O10 Si2 V2 -","2","0.125","BR1196","Rangan, Krishnaswamy Kasthuri; Piffard, Yves; Joubert, Olivier; Tournoux, Michel","Li~2~VOSiO~4~: a Natisite-Type Structure","Acta Crystallographica Section C","1998","54","2","176","177","10.1107/S0108270197014650","","","0.71073","MoKα","","0.0974","0.0453","","0.088","0.0771","","","","1.016","1.119","1.119","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006997","15.476","0.003","6.649","0.001","24.08","0.005","90","","93.42","0.02","90","","2473.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","poly[N-(2-aminoethyl)-N-methyl-1,2-ethanediamine-κ^3^N]-μ-isothiocyanato- N:S-isothiocyanatonickel(II)","","- C7 H15 N5 Ni S2 -","- C7 H15 N5 Ni S2 -","- C56 H120 N40 Ni8 S16 -","8","1","CF1171","Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri","A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine","Acta Crystallographica Section C","1998","54","2","208","210","10.1107/S0108270197013280","","","0.71069","MoKα","","0.0436","0.0406","","0.1108","0.108","","","","1.081","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006998","8.665","0.001","12.503","0.002","16.306","0.002","90","","94.03","0.01","90","","1762.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","","","","2-(2-hydroxy-3-methoxy-5-sulfo-phenyl)-4H-1-benzopyran-4-one trihydrate","","- C16 H18 O10 S -","- C16 H18 O10 S -","- C64 H72 O40 S4 -","4","1","CF1187","Wallet, Jean-Claude; Habsaoui, Amar; Gaydou, Emile M.; Molins, Elies; Miravitlles, Carlos","2'-Hydroxy-3'-methoxy-5'-flavonesulfonic Acid Trihydrate: a New Zwitterion","Acta Crystallographica Section C","1998","54","2","247","249","10.1107/S0108270197014169","","","0.71069","MoKα","","0.146","0.041","","","0.101","","","","","0.944","0.944","","","","","has coordinates","281832","2023-03-13","07:43:06",""
"2006999","9.4818","0.0009","9.7365","0.0004","10.6089","0.001","93.469","0.008","113.697","0.005","97.89","0.008","881.08","0.13","220","0.2","220","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O4 S -","- C18 H22 O4 S -","- C36 H44 O8 S2 -","2","1","CF1192","Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","Two Methylsulfanylmethylene Derivatives of Meldrum's Acid","Acta Crystallographica Section C","1998","54","2","234","236","10.1107/S0108270197014170","","","1.5418","CuKα","","","0.0338","","","0.0402","","","","","1.1073","1.1073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007000","6.137","0.008","7.17","0.008","15","0.03","79","0.08","84.36","0.11","83.08","0.08","641.3","1.7","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O4 S2 -","- C11.681 H12 O4 S2 -","- C23.362 H24 O8 S4 -","2","1","CF1192","Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","Two Methylsulfanylmethylene Derivatives of Meldrum's Acid","Acta Crystallographica Section C","1998","54","2","234","236","10.1107/S0108270197014170","","","0.71073","MoKα","","0.065","0.061","","0.187","0.18","","","","1.152","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007001","14.818","0.002","14.818","0.002","29.903","0.006","90","","90","","120","","5686.2","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Chloro-tris(1,3-diphenyl-1,3-propanedionato)zirconium(IV)","","- C45 H33 Cl O6 Zr -","- C45 H33 Cl O6 Zr -","- C270 H198 Cl6 O36 Zr6 -","6","0.333333","CF1194","Janiak, Christoph; Scharmann, Tobias G.","The Racemic <i>C</i>~3~-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')zirconium(IV)","Acta Crystallographica Section C","1998","54","2","210","212","10.1107/S0108270197014182","","","0.71069","MoKα","","0.025","0.024","","0.066","0.065","","","","1.085","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007002","13.459","0.004","9.2087","0.0015","15.883","0.005","90","","98.87","0.04","90","","1945","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(pyrazolo[3,4-d]pyrimidin-1-yl)alkane","1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane","","- C17 H20 N8 O2 S2 -","- C17 H20 N8 O2 S2 -","- C68 H80 N32 O8 S8 -","4","1","CF1197","Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S.","A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule","Acta Crystallographica Section C","1998","54","2","275","277","10.1107/S0108270197013309","","","0.71073","MoKα","","0.0851","0.0404","","0.1213","0.0993","","","","0.956","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007003","13.058","0.003","8.677","0.001","21.842","0.003","90","","92.79","0.01","90","","2471.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine)(propionato)copper(II) Nitrate","","- C23 H23 Cu N7 O5 -","- C23 H23 Cu N7 O5 -","- C92 H92 Cu4 N28 O20 -","4","1","CF1199","Sujittra Youngme; Kamphone Chandavong; Chaveng Pakawatchai; Zhong-yuan Zhou; Hoong-Kun Fun","Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Nitrate","Acta Crystallographica Section C","1998","54","2","199","201","10.1107/S0108270197014194","","","0.71073","MoKα","","0.0519","0.0376","","0.1053","0.0997","","","","0.984","1.093","1.093","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007004","31.919","0.005","9.399","0.002","11.26","0.003","90","","93.83","0.01","90","","3370.5","1.3","293","1","293","1","","","","","","","","4","C 1 2 1","C 2y","5","chasmaconitine","","","- C34.5 H49 N O9.5 -","- C34.5 H47 N O9.5 -","- C138 H188 N4 O38 -","4","1","FG1327","Parvez, Masood; Gul, Waseem; Anwar, Saeed; Miana, Ghulam A.; Atta-ur-Rahman; Choudhary, Mohammad I.","Chasmaconitine 0.5-Methanol Solvate","Acta Crystallographica Section C","1998","54","2","236","238","10.1107/S0108270197013450","","","1.54178","CuKα","","0.0692","0.0582","","0.1713","0.1574","","","","1.047","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007005","7.6575","0.0005","11.9173","0.0009","25.561","0.002","92.44","0.007","97.574","0.006","90.558","0.007","2309.9","0.3","293","1","293","1","","","","","","","","3","P -1","-P 1","2","","(4Z,10E,12Z)-[1R^*^,14S^*^]-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-4,10,12-triene","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","2","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0644","0.0507","","0.1575","0.1375","","","","1.1","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007006","9.1783","0.001","10.5526","0.0013","13.657","0.002","108.201","0.01","101.221","0.009","98.791","0.009","1199.7","0.3","293","2","293","1","","","","","","","","3","P -1","-P 1","2","","rac-(5Z,11Z,13Z)-1,8,8-Tris(methoxycarbonyl)-5-methyl-3,17- dioxobicyclo[12.3.0]heptadeca-5,11,13-triene","","- C24 H30 O8 -","- C24 H29.97 O8 -","- C48 H59.94 O16 -","2","1","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0555","0.0462","","0.1551","0.1453","","","","0.997","1.079","1.079","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007007","8.0693","0.0009","10.9292","0.0005","24.951","0.002","90","","90","","90","","2200.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α,9β-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","1","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0489","0.0487","","0.1162","0.1161","","","","1.253","1.255","1.255","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007008","6.9986","0.0004","12.1754","0.0006","53.584","0.003","90","","90","","90","","4565.9","0.4","293","2","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C192 H240 O64 -","8","2","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0803","0.0631","","0.1832","0.1641","","","","1.055","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007009","4.7","0.001","5.0228","0.0008","10.8995","0.0006","90","","90","0.01","90","","257.31","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","3-aminopyrazole-4-carboxylic acid","","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C8 H10 N6 O4 -","2","1","FG1359","Dobson, Allison J.; Gerkin, Roger E.","Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","2","253","256","10.1107/S0108270197013115","","","0.71073","MoKα","","","0.04","","","","0.082","","","","","","3.57","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007010","7.4118","0.0001","16.728","0.0003","13.5168","0.0001","90","","90.748","0.001","90","","1675.73","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-dimethyl-2,2'-bipyridinetrichloromanganese(III) acetonitrile solvate","","- C14 H15 Cl3 Mn N3 -","- C14 H15 Cl3 Mn N3 -","- C56 H60 Cl12 Mn4 N12 -","4","1","FG1372","Abboud, Khalil A.; Ward, Brian H.; Talham, Daniel R.","Trichloro(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(III) Acetonitrile Solvate (1/1)","Acta Crystallographica Section C","1998","54","2","180","181","10.1107/S0108270197012419","","","0.71073","MoKα","","0.035","0.03","","0.081","0.076","","","","1.07","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007011","10.048","0.002","10.578","0.015","10.611","0.002","73.79","0.02","71.69","0.02","63.31","0.01","943.9","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H33 As Cl2 -","- C18 H33 As Cl2 -","- C36 H66 As2 Cl4 -","2","1","FG1394","Pascu, Sofia; Silaghi-Dumitrescu, Luminita; Blake, Alexander J.; Li, Wan-Sheung; Haiduc, Ionel; Sowerby, D. Bryan","<i>trans</i>-Dichlorotri(cyclohexyl)arsenic(V)","Acta Crystallographica Section C","1998","54","2","219","221","10.1107/S0108270197013334","","","0.71073","MoKα","","0.0236","0.0216","","","","0.0514","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007012","14.8333","0.0008","7.601","0.0009","14.109","0.002","90","","90","","90","","1590.8","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Cyclopentadienyltricarbonyltrimethylphosphinemolybdenum(II) tetrafluoroborate","","- C11 H14 B F4 Mo O3 P -","- C11 H14 B F4 Mo O3 P -","- C44 H56 B4 F16 Mo4 O12 P4 -","4","1","FR1063","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Tricarbonyl(η^5^-cyclopentadienyl)(trimethylphosphine-<i>P</i>)molybdenum(II) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","2","181","183","10.1107/S0108270197012651","","","0.71073","MoKα","","0.0805","0.033","","0.0813","0.0686","","","","1.048","1.118","1.118","","","","","has coordinates,has disorder","192303","2020-10-21","18:00:00",""
"2007013","14.622","0.002","17.901","0.003","6.908","0.001","92.43","0.01","90.88","0.01","92.35","0.01","1804.7","0.5","295","","","","","","","","","","","4","P -1","-P 1","2","","[N-(1-Adamantyl)acetamide]1/3(methanol-water) solvate","","- C12.3333 H21 N O1.6667 -","- C12.3333 H21 N O1.66667 -","- C74 H126 N6 O10 -","6","3","FR1075","Kashino, Setsuo; Tateno, Shuichi; Hamada, Noritaka; Haisa, Masao","Methanol‒Water Solvate of <i>N</i>-(1-Adamantyl)acetamide","Acta Crystallographica Section C","1998","54","2","273","274","10.1107/S0108270197013541","","","0.71073","MoKα","","","0.072","","","","0.064","","","","","","1.16","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007014","7.0367","0.0002","12.2343","0.0004","15.1467","0.0005","90","","103.202","0.001","90","","1269.5","0.07","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","trans-Diaquobis(2-thienyl 2-pyridyl ketone-O, N)copper(II) tetrafluoroborate","","- C20 H18 B2 Cu F8 N2 O4 S2 -","- C20 H18 B2 Cu F8 N2 O4 S2 -","- C40 H36 B4 Cu2 F16 N4 O8 S4 -","2","0.5","FR1082","Sommerer, Shaun O.; Friebe, Timothy L.; Jircitano, Alan J.; MacBeth, Cora E.; Abboud, Khalil A.","<i>trans</i>-Diaquabis(2-thienyl 2-pyridyl ketone-<i>O</i>,<i>N</i>)copper(II) Tetrafluoroborate","Acta Crystallographica Section C","1998","54","2","178","179","10.1107/S0108270197014728","","","0.71073","MoKα","","0.063","0.057","","0.153","","0.146","","","1.061","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007015","5.4239","0.0005","7.1863","0.0009","8.1732","0.0008","88.86","0.009","71.254","0.008","81.261","0.009","298.03","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","Citraconic acid","2-methyl-2-butenedioic acid","","- C5 H6 O4 -","- C5 H6 O4 -","- C10 H12 O8 -","2","1","HA1205","Batchelor, Elaine; Jones, William","Citraconic Acid","Acta Crystallographica Section C","1998","54","2","238","240","10.1107/S0108270197014224","","","0.71069","MoKα","","0.0951","0.0489","","0.1574","0.1277","","","","0.973","1.003","1.003","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007016","13.776","0.003","13.262","0.003","24.964","0.01","90","","94.54","0.04","90","","4547","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ^2^(2-thioxo-1,3-dithiole-4,5-dithiolate)bis(tri-p-metoxyphenyl phosphine)digold(I)","","- C45 H42 Au2 O6 P2 S5 -","- C45 H42 Au2 O6 P2 S5 -","- C180 H168 Au8 O24 P8 S20 -","4","1","JZ1240","Cerrada, Elena; Laguna, Mariano; Villacampa, M. Dolores","μ-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(<i>p</i>-methoxyphenyl)phosphine]gold(I)}","Acta Crystallographica Section C","1998","54","2","201","203","10.1107/S0108270197013346","","","0.71073","MoKα","","0.0631","0.0413","","0.0996","0.0868","","","","1.048","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007017","6.9449","0.0007","10.3618","0.0013","11.9715","0.0014","75.392","0.011","88.293","0.01","70.621","0.009","785.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C32 H36 Cu2 N4 O8 -","2","1","JZ1244","Warda, Salam A.","Aqua(2,3-dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","2","187","189","10.1107/S010827019701305X","","","1.54178","CuKα","","0.0598","0.0488","","","","0.1399","","","","","","1.039","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007018","8.5214","0.0007","15.3737","0.0018","9.9845","0.0005","90","","100.905","0.005","90","","1284.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Polymeric Pyrazine-Bis[N-salicylideneglycinato-copper(II)]-1,4-dioxane","","- C26 H26 Cu2 N4 O8 -","- C26 H26 Cu2 N4 O8 -","- C52 H52 Cu4 N8 O16 -","2","0.5","JZ1247","Warda, Salam A.","<i>catena</i>-Poly[[(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)-μ-pyrazine-<i>N</i>:<i>N</i>'-(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)]-μ-1,4-dioxane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","2","189","191","10.1107/S0108270197013061","","","0.71073","MoKα","","0.0414","0.0319","","","","0.0897","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007019","12.36","0.002","17.042","0.003","25.08","0.005","90","","92.93","0.03","90","","5275.9","1.6","173","","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-{7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P'}- pentafluorophenyltriphenylphosphinedigold(I) dichloromethane solvate","","- C51 H47 Au2 B9 Cl2 F5 P3 -","- C51 H47 Au2 B9 Cl2 F5 P3 -","- C204 H188 Au8 B36 Cl8 F20 P12 -","4","1","JZ1248","Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Villacampa, M. Dolores","μ-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-1κ<i>P</i>,2κ<i>P</i>'](pentafluorophenyl-1κ<i>C</i>)(triphenylphosphine-2κ<i>P</i>)digold(I) Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","2","203","205","10.1107/S0108270197013826","","","0.71073","MoKα","","0.0604","0.043","","0.1081","0.0987","","","","1.04","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007020","16.206","0.002","8.991","0.004","18.665","0.002","90","","102.91","0.02","90","","2650.9","1.3","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C136 H128 O16 -","4","1","KA1242","Sybolt Harkema; Jan-Dirk van Loon; Willem Verboom; David N. Reinhoudt","15,17-Di-2-propenylcalix[4]arene-25,26,27,28-tetrol: Self-Complexation and C—H···O Interactions","Acta Crystallographica Section C","1998","54","2","269","271","10.1107/S0108270197010937","","","0.71073","MoKα","","0.184","0.096","","0.113","0.101","","","","0.817","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007021","12.117","0.002","12.324","0.002","13.508","0.003","90","","108.83","0.03","90","","1909.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5-dihydroxiethyl-barbituric acid","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C64 H96 N16 O40 -","8","2","LN1024","Irles, Nuria; Subirana, J.Antoni; Solans, Xavier","5,5-Dihydroxyethylbarbituric Acid","Acta Crystallographica Section C","1998","54","2","249","250","10.1107/S0108270197013899","","","0.71069","MoKα","","0.1201","0.0683","","0.2904","0.1951","","","","0.984","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007022","13.832","0.003","9.055","0.002","16.005","0.003","90","","104.52","0.02","90","","1940.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cr O4 -","- C23 H16 Cr O4 -","- C92 H64 Cr4 O16 -","4","1","LN1031","Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard","Tricarbonyl[(4a,5,6,7,8,9-η)-2-methyl-2-phenyl-2<i>H</i>-benzo[<i>f</i>]chromen]chromium","Acta Crystallographica Section C","1998","54","2","221","223","10.1107/S0108270197014236","","","0.71073","MoKα","","0.0425","0.0414","","0.085","0.0847","","","","0.955","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007023","23.424","0.004","9.689","0.004","14.47","0.003","90","","90.53","0.02","90","","3283.9","1.6","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C27 H31 Br2 N O S8 -","- C27 H31 Br2 N O S8 -","- C108 H124 Br8 N4 O4 S32 -","4","0.5","LN1035","Honda, Kazumasa; Takasaki, Satoshi; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Anzai, Hiroyuki","Tetramethyltetrathiafulvalenium Bromide Benzonitrile Water Solvate","Acta Crystallographica Section C","1998","54","2","261","264","10.1107/S0108270197013905","","","0.7107","MoKα","","0.1619","0.053","","0.0739","0.0597","","","","0","1.32","1.32","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007024","8.6342","0.0003","11.608","0.0005","13.384","0.001","91.988","0.005","108.291","0.005","95.861","0.003","1263.82","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate","","- C22 H24 Cl Co N4 O11 -","- C22 H24 Cl Co N4 O11 -","- C44 H48 Cl2 Co2 N8 O22 -","2","1","LN1036","Tong, Ming-Liang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng","Bis[di-2-pyridylmethanediolato(1‒)-<i>N</i>,<i>O</i>,<i>N</i>']cobalt(III) Perchlorate Trihydrate","Acta Crystallographica Section C","1998","54","2","217","219","10.1107/S0108270197013358","","","0.71073","MoKα","","0.0404","0.0325","","0.0826","0.0778","","","","1.061","1.082","1.082","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007025","9.672","0.001","15.698","0.002","9.04","0.002","104.48","0.01","105.07","0.01","88.53","0.01","1282.1","0.4","297","","","","","","","","","","","5","P -1","-P 1","2","","dimethanolatotetrakis(μ-4-chlorophenoxyisobutyrato-O:O')dicopper(II) dimethanol solvate","","- C44 H56 Cl4 Cu2 O16 -","- C44 H56 Cl4 Cu2 O16 -","- C44 H56 Cl4 Cu2 O16 -","1","0.5","LN1037","Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine","Acta Crystallographica Section C","1998","54","2","193","195","10.1107/S0108270197012973","","","0.71073","MoKα","","","0.046","","","0.042","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007026","6.728","0.002","16.958","0.001","13.388","0.002","90","","101.38","0.02","90","","1497.5","0.5","299","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(pyridine)bis(4-chlorophenoxyisobutyrato-O,O')copper(II)","","- C30 H30 Cl2 Cu N2 O6 -","- C30 H30 Cl2 Cu N2 O6 -","- C60 H60 Cl4 Cu2 N4 O12 -","2","0.5","LN1037","Kani, Yoshiyuki; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine","Acta Crystallographica Section C","1998","54","2","193","195","10.1107/S0108270197012973","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007027","16.825","0.004","16.658","0.003","17.162","0.005","90","0.02","102.18","0.02","90","0.02","4702","2","122","2","122","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-bis(diphenylphosphino)ethane)-hydroxo-oxo-molybdenum(IV) perchlorate","","- C52 H49 Cl Mo O6 P4 -","- C52 H49 Cl Mo O6 P4 -","- C208 H196 Cl4 Mo4 O24 P16 -","4","1","LN1040","Bendix, Jesper; Bøgevig, Anders","<i>trans</i>-[Mo(O)(OH)(dppe)~2~]^+^ as its Perchlorate Salt","Acta Crystallographica Section C","1998","54","2","206","208","10.1107/S010827019701336X","","","0.71073","MoKα","","0.0506","0.0364","","0.0842","","0.0842","","","1.035","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007028","6.879","0.002","14.004","0.003","9.504","0.001","90","","91.37","0.02","90","","915.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Complexe de Cuivre(II) di(Nitriloacétatodiacétique) Dihydrate","","- C12 H20 Cu N2 O14 -","- C12 H20 Cu N2 O14 -","- C24 H40 Cu2 N4 O28 -","2","0.5","MU1346","Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar","Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O","Acta Crystallographica Section C","1998","54","2","197","199","10.1107/S0108270197011402","","","0.71069","MoKα","","0.0691","0.0422","","0.0898","0.0801","","","","1.093","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007029","9.545","0.002","16.271","0.004","22.797","0.003","90","","90","","90","","3540.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-2,3-dibenzyloxy-1,4-bis(diphenylphosphino)butane","","- C42 H40 O2 P2 -","- C42 H40 O2 P2 -","- C168 H160 O8 P8 -","4","1","NA1325","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva","(2<i>R</i>,3<i>R</i>)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane","Acta Crystallographica Section C","1998","54","2","264","266","10.1107/S0108270197014248","","","0.71073","MoKα","","0.1191","0.0363","","","0.0741","0.0923","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007030","16.325","0.003","16.325","0.003","35.135","0.005","90","","90","","120","","8109","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sodium potassium gallium intermetallic compound","","- Ga47.45 K4 Na13 -","- Ga47.452 K4 Na13 -","- Ga284.712 K24 Na78 -","6","0.166667","OH1104","Flot, D.; Vincent, L.; Tillard-Charbonnel, M.; Belin, C.","Na~13~K~4~Ga~47.45~: a New Sodium Potassium Gallide Phase Containing Trimeric Icosahedral Gallium Clusters","Acta Crystallographica Section C","1998","54","2","174","175","10.1107/S0108270197015977","","","0.7107","MoKα","","0.0577","0.0536","","0.1376","0.1355","","","","1.071","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007031","10.184","0.001","10.941","0.001","13.441","0.001","84.8","0.02","67.94","0.02","82.65","0.02","1375.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O4 S2 -","- C30 H26 N2 O4 S2 -","- C60 H52 N4 O8 S4 -","2","1","PT1051","Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K.","4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carboline","Acta Crystallographica Section C","1998","54","2","277","279","10.1107/S0108270197011268","","","0.71073","MoKα","","0.133","0.061","","0.192","0.143","","","","0.963","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007032","36.858","0.005","6.5975","0.001","12.145","0.002","90","","101.255","0.01","90","","2896.5","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.1339","0.0881","","0.3289","0.3023","","","","1.12","1.426","1.426","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007033","8.945","0.003","8.664","0.002","47.029","0.009","90","","90","","90","","3644.7","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-3,3,6-tribromo-2-phenyl-4H-1-benzopyran- 4-one","","- C17 H13 Br3 O5 -","- C17 H13 Br3 O5 -","- C136 H104 Br24 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.2065","0.0826","","0.2357","0.1958","","","","0.833","1.235","1.235","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007034","19.897","0.0018","11.878","0.002","8.0208","0.0012","90","","97.204","0.01","90","","1880.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8- benzocoumarin","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","QA0031","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1998","54","2","IUC9800003","","10.1107/S010827019809982X","","","0.71073","MoKα","","0.1175","0.0437","","0.1225","0.1026","","","","0.833","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007035","12.673","0.003","11.809","0.002","11.921","0.002","90","","100.74","0.03","90","","1752.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","QB0025","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Diáz de Delgado, Graciela; Roque, Estela; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz; Espinosa, Remberto; Liván Alba Gutierrez","2-Ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-phenyl-4,7-dihydrothieno[2,3-<i>b</i>]pyridine","Acta Crystallographica Section C","1998","54","2","IUC9800002","","10.1107/S0108270198099831","","","0.71069","MoKα","","0.0915","0.0689","","0.1975","0.1771","","","","1.033","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007036","14.407","0.001","8.425","0.001","11.777","0.001","90","","100.93","0.01","90","","1403.5","0.2","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","dichloro{(S,S)-trans-diphenyl[(2- diphenylphosphinyl)cyclohexyl]phosphinicacidester}palladium(II)","","- C30 H30 Cl2 O P2 Pd -","- C30 H30 Cl2 O P2 Pd -","- C60 H60 Cl4 O2 P4 Pd2 -","2","1","SK1135","Thurner, C. L.; Barz, M.; Spiegler, M.; Thiel, W. R.","Ligands with Cycloalkane Backbones. IV. Dichloro{(<i>S</i>,<i>S</i>)-<i>trans</i>-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)","Acta Crystallographica Section C","1998","54","2","227","228","10.1107/S0108270197013231","","","0.71073","MoKα","","0.0258","0.0237","","","0.0634","0.0658","","","1.111","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007037","6.5295","0.0008","11.0584","0.0007","12.2954","0.0007","90","","92.92","0.006","90","","886.65","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetraammonium tetrametaphosphimate tetrahydrate","Tetraammonium-tetra-μ-imido-cyclotetraphosphate tetrahydrate","","- H28 N8 O12 P4 -","- H28 N8 O12 P4 -","- H56 N16 O24 P8 -","2","0.5","SK1143","Stock, Norbert; Schnick, Wolfgang","Tetraammonium Tetrametaphosphimate Tetrahydrate","Acta Crystallographica Section C","1998","54","2","171","174","10.1107/S0108270197012766","","","0.71073","MoKα","","0.028","0.0262","","0.0778","0.0765","","","","1.124","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007038","13.18","0.002","5.8904","0.0008","5.056","0.0005","90","","90","","90","","392.52","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadmium selenite monohydrate","Cadmium trioxoxselenate(IV) monohydrate","","- Cd H2 O4 Se -","- Cd H2 O4 Se -","- Cd4 H8 O16 Se4 -","4","0.5","SK1149","Bäumer, Ulrich; Engelen, Bernward; Müller, Holger","Intralayer Hydrogen Bonding in CdSeO~3~.H~2~O","Acta Crystallographica Section C","1998","54","2","169","171","10.1107/S0108270197014042","","","0.71069","MoKα","","0.0191","0.0186","","0.044","0.0438","","","","1.29","1.299","1.299","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007039","31.647","0.003","5.598","0.005","11.327","0.002","90","","105.3","0.02","90","","1935.6","1.8","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","0.5","TA1101","Kyoko Tamaki; Nobuo Okabe","Diaquabis[<i>N</i>-(1-naphthyl)-<i>N</i>-nitrosohydroxylaminato-<i>O</i>,<i>O</i>']cobalt(II)","Acta Crystallographica Section C","1998","54","2","195","197","10.1107/S0108270197013620","","","0.71069","MoKα","","","0.04","","","0.041","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007040","27.96","0.003","9.1643","0.0008","18.488","0.002","90","","131.137","0.008","90","","3567.8","0.8","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","bis(triphenylphoshine)iminium tetrabromooxomolybdate(V)","","- C36 H30 Br4 Mo N O P2 -","- C36 H30 Br4 Mo N O P2 -","- C144 H120 Br16 Mo4 N4 O4 P8 -","4","0.5","TA1139","Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo","Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]","Acta Crystallographica Section C","1998","54","2","184","187","10.1107/S0108270197010718","","","0.71073","MoKα","","0.0419","0.0291","","0.0697","0.0651","","","","1.115","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007041","13.258","0.002","13.258","0.002","7.8926","0.0015","90","","90","","90","","1387.3","0.4","153","2","153","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetraphenylphosphonium aquotetraiodooxomolybdate(V)","","- C24 H22 I4 Mo O2 P -","- C24 H20 I4 Mo O2 P -","- C48 H40 I8 Mo2 O4 P2 -","2","0.25","TA1139","Fettinger, James C.; Mattamana, Sundeep P.; Poli, Rinaldo","Two Tetrahalooxomolybdate(V) Structures, [Ph~3~PNPPh~3~][MoOBr~4~] and [PPh~4~][MoOI~4~(H~2~ O)]","Acta Crystallographica Section C","1998","54","2","184","187","10.1107/S0108270197010718","","","0.71073","MoKα","","0.0678","0.0551","","0.1266","0.1212","","","","1.195","1.254","1.254","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007042","16.546","0.003","8.97","0.002","11.507","0.002","90","","98.9","0.02","90","","1687.3","0.6","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","[2-Benzylbis(salicylideneiminato)-N,N',O,O']copper(II)","","- C21 H16 Cu N2 O2 -","- C21 H16 Cu N2 O2 -","- C84 H64 Cu4 N8 O8 -","4","1","TA1184","Kani, Yoshiyuki; Ohba, Shigeru; Ishikawa, Takashi; Sakamoto, Masatomi; Nishida, Yuzo","{2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)","Acta Crystallographica Section C","1998","54","2","191","193","10.1107/S0108270197013619","","","0.71073","MoKα","","","0.042","","","0.038","","","","","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007043","7.5131","0.0001","9.1074","0.0002","9.8983","0.0002","83.786","0.001","79.879","0.001","77.383","0.001","648.93","0.02","153","2","153","2","","","","","","","","6","P -1","-P 1","2","di-2-pyridyl sulfide silver nitrate dimer","","","- C11 H11 Ag N3 O3.5 S -","- C22 H22 Ag2 N6 O7 S2 -","- C22 H22 Ag2 N6 O7 S2 -","1","0.5","TA1195","Anderson, Regan J.; Steel, Peter J.","A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide","Acta Crystallographica Section C","1998","54","2","223","225","10.1107/S0108270197014911","","","0.71073","MoKα","","","0.0219","","","","0.0562","","","","","","1.061","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007044","11.4376","0.001","9.8396","0.0009","12.5356","0.0011","90","","101.453","0.007","90","","1382.7","0.2","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","0.5","AB1498","Hökelek, Tuncer; Budak, Kıvanç; S̨endi̇l, Kıvılcım; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(4-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","347","348","10.1107/S0108270197013978","","","0.71073","MoKα","","","0.056","","","0.044","","","","","1.21","1.21","","","","","has coordinates","278319","2022-10-03","11:56:22",""
"2007045","8.2968","0.0011","7.7364","0.0011","10.6066","0.0015","90","","93.434","0.011","90","","679.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","AB1500","Casas, José S.; Castiñeiras, Alfonso; Couce, Delfina; Playá, Nuria; Sordo, José; Varela, José M.","1-Acetyl-2-thiohydantoin","Acta Crystallographica Section C","1998","54","3","427","428","10.1107/S0108270197014960","","","0.71073","MoKα","","0.069","0.04","","0.115","0.102","","","","1.038","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007046","14.612","0.003","10.715","0.003","20.636","0.004","90","","92.88","0.02","90","","3226.8","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Hexakis(N,N-dimethylformamido)nickel(II)] bis(tetrafluoroborate)","","- C18 H42 B2 F8 N6 Ni O6 -","- C18 H42 B2 F8 N6 Ni O6 -","- C72 H168 B8 F32 N24 Ni4 O24 -","4","1","AB1501","Li, Wan-Sheung; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin; Bruce, Duncan W.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1998","54","3","349","351","10.1107/S010827019701398X","","","0.71073","MoKα","","0.0954","0.061","","","","0.1391","","","","","","1.139","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007047","9.421","0.002","9.081","0.002","16.31","0.004","90","","98.14","0.04","90","","1381.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Co I6 S6 -","- C12 H24 Co I6 S6 -","- C24 H48 Co2 I12 S12 -","2","0.5","AB1509","Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Bis(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')cobalt(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","293","295","10.1107/S0108270197014418","","","0.71073","MoKα","","0.035","0.031","","","","0.08","","","","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007048","11.608","0.001","11.986","0.001","12.775","0.001","73.426","0.007","71.549","0.007","62.478","0.007","1474.7","0.2","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu4 N12 O38 -","- C44 H26 Cu3 N12 O38 -","- C44 H26 Cu3 N12 O38 -","1","0.5","AB1512","Hökelek, Tuncer; Mert, Yüksel; Ünaleroğlu, Canan","<i>catena</i>-Poly[[tetrakis(μ-3,5-dinitrobenzoato-<i>O</i>:<i>O</i>')dicopper(II)]bis[(μ-3,5-dinitrobenzoato-<i>O</i>:<i>O</i>')(methanol-<i>O</i>)copper(II)]]","Acta Crystallographica Section C","1998","54","3","310","313","10.1107/S0108270197014613","","","0.71073","MoKα","","","0.055","","","0.07","","","","","2.31","2.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007049","4.3226","0.0006","9.073","0.002","14.284","0.002","90","","91.73","0.01","90","","559.95","0.17","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","AB1514","Taka, Jun-ichiro; Ogino, Shinya; Kashino, Setsuo","Ammonium Hydrogen Tartronate","Acta Crystallographica Section C","1998","54","3","384","386","10.1107/S0108270197015126","","","0.71073","MoKα","","","0.066","","","","0.055","","","","","","1.22","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007050","8.949","0.002","11.593","0.002","8.6175","0.0009","97.89","0.01","110.715","0.009","100.44","0.02","802.4","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Cl N5 -","- C18 H12 Cl N5 -","- C36 H24 Cl2 N10 -","2","1","AB1519","Wang, Zuoxiang; Bai, Zhiping; Yang, Jiaxiang; Okamoto, Ken-ichi; You, Xiaozeng","3,5-Bis(2-pyridyl)-4-<i>p</i>-chlorophenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","3","438","439","10.1107/S0108270197014625","","","0.7107","MoKα","","","0.038","","","0.0515","","","","","1.282","1.282","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007051","9.9029","0.0007","10.1259","0.0006","11.6523","0.0011","79.919","0.006","76.972","0.006","75.994","0.005","1095.52","0.15","294","1","294","1","","","","","","","","4","P -1","-P 1","2","Butadiynyl(cyclopentadienyl)(triphenylphosphine)nickel(II)","1,3-Butadiynyl(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","","- C27 H21 Ni P -","- C27 H21 Ni P -","- C54 H42 Ni2 P2 -","2","1","AB1525","Gallagher, John F.; Butler, Peter; Manning, Anthony R.","(1,3-Butadiynyl-<i>C</i>^1^)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","1998","54","3","342","345","10.1107/S0108270197016478","","","0.7107","MoKα","","0.037","0.024","","","","0.066","","","","","","1.047","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007052","11.097","0.004","18.745","0.005","12.237","0.003","90","","108.95","0.02","90","","2407.5","1.3","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4 .0.4.3]tridec-2,11-diene","","- C25 H25 F3 N2 O S2 -","- C25 H25 F3 N2 O S2 -","- C100 H100 F12 N8 O4 S8 -","4","1","AB1528","Linden, Anthony; Bojkova, Nina; Heimgartner, Heinz","2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4.0.4.3]trideca-2,11-diene","Acta Crystallographica Section C","1998","54","3","373","376","10.1107/S010827019701648X","","","0.71073","MoKα","","0.0547","0.0372","","","","0.0882","","","","","","1.038","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007053","16.509","0.0015","8.2204","0.0008","12.7283","0.0012","90","","90","","90","","1727.4","0.3","160","2","160","2","","","","","","","","3","P n a 21","P 2c -2n","33","","diphenylzirconocene","","- C22 H20 Zr -","- C22 H20 Zr -","- C88 H80 Zr4 -","4","1","AB1533","Clegg, William; Horsburgh, Lynne; Lindsay, David M.; Mulvey, Robert E.","Diphenylzirconocene","Acta Crystallographica Section C","1998","54","3","315","317","10.1107/S0108270197019343","","","0.71073","MoKα","","0.0236","0.0222","","","","0.0585","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007054","11.044","0.002","11.809","0.002","4.6958","0.0007","92.74","0.01","95.04","0.01","111.337","0.01","566.13","0.17","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F3 N O2 -","- C13 H10 F3 N O2 -","- C26 H20 F6 N2 O4 -","2","1","BK1297","Jasinski, Jerry P.; Jasinski, John M.; Li, Yu","6,7,8,9-Tetrahydro-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (II)","Acta Crystallographica Section C","1998","54","3","410","412","10.1107/S0108270197007221","","","0.71069","MoKα","","0.067","0.036","","0.107","0.092","","","","1.03","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007055","9.756","0.004","12.613","0.004","22.443","0.004","90","","92.45","0.02","90","","2759.1","1.5","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","2","BK1297","Jasinski, Jerry P.; Jasinski, John M.; Li, Yu","6,7,8,9-Tetrahydro-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (II)","Acta Crystallographica Section C","1998","54","3","410","412","10.1107/S0108270197007221","","","0.71069","MoKα","","0.162","0.055","","0.184","0.127","","","","1","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007056","12.6451","0.0006","11.5793","0.0006","17.7855","0.0009","90","","99.444","0.001","90","","2568.9","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tetra-n-butylammonium) hexakis((μ~3~-sulfido)-nitroso-iron)","","- C32 H72 Fe6 N8 O6 S6 -","- C32 H72 Fe6 N8 O6 S6 -","- C64 H144 Fe12 N16 O12 S12 -","2","0.5","BK1352","Geiser, Urs; Williams, Jack M.","Bis(tetra-<i>n</i>-butylammonium) Hexa-μ~3~-sulfido-hexakis(nitrosoiron)","Acta Crystallographica Section C","1998","54","3","292","293","10.1107/S0108270197013802","","","0.71073","MoKα","","0.055","0.041","","0.114","0.104","","","","1.019","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007057","19.6219","0.0004","15.5067","0.0004","19.4399","0.0005","90","","103.015","0.001","90","","5763","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triethylammonium tris(thiobenzoato-O,S)cadmate(II)","","- C27 H31 Cd N O3 S3 -","- C27 H31 Cd N O3 S3 -","- C216 H248 Cd8 N8 O24 S24 -","8","2","BK1365","Vittal, Jagadese J.; Dean, Philip A. W.","Triethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)cadmate(II)","Acta Crystallographica Section C","1998","54","3","319","321","10.1107/S0108270197014431","","","0.71073","MoKα","","0.053","0.034","","0.078","0.07","","","","1.025","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007058","8.313","0.001","13.367","0.001","18.981","0.001","90","","90","","90","","2109.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rotundifoline","E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C88 H112 N8 O20 -","4","1","BM1144","Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya","Rotundifoline, an Oxoindole Alkaloid","Acta Crystallographica Section C","1998","54","3","399","401","10.1107/S0108270197013528","","","0.71073","MoKα","","0.1818","0.0815","","","","0.2448","","","","","","1.058","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007059","9.197","0.001","10.606","0.001","13.259","0.001","90","","90.94","0.01","90","","1293.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2-ethyl-1-3,5dimethylphenyl pyridin-4-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.0518","0.0424","","0.1205","0.112","","","","1.056","1.081","1.081","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007060","7.305","0.001","18.615","0.007","18.296","0.002","90","","99.81","0.02","90","","2451.6","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.1","0.054","","0.1484","0.1214","","","","1.017","1.109","1.109","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2007061","7.306","0.001","10.351","0.001","17.321","0.002","86.25","0.01","78.44","0.01","71.92","0.01","1219.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4methoxyphenyl pyridin-4-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","2","BM1164","John Burgess; John Fawcett; David R. Russell; Lu Zaisheng","Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","3","430","433","10.1107/S010827019701127X","","","0.71073","MoKα","","0.0699","0.0491","","0.1431","0.1201","","","","1.071","1.111","1.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007062","5.565","0.0007","11.9277","0.0014","12.7732","0.0015","77.935","0.003","84.163","0.003","79.965","0.003","814.56","0.17","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","6-Acety-3,7-diacetoxy-2,2-dimethyl-2H-benzopyran","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","BM1179","Jha, Amitaba; Malhotra, Sanjay; Parmar, Virinder S; Errington, William","6-Acetyl-3,4-dihydro-2,2-dimethyl-2<i>H</i>-benzopyran-3,7-diyl Diacetate","Acta Crystallographica Section C","1998","54","3","361","363","10.1107/S010827019701514X","","","0.71073","MoKα","","0.079","0.052","","","","0.14","","","","","","1.043","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007063","10.3731","0.0018","5.7516","0.001","22.46","0.004","90","","101.992","0.004","90","","1310.8","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3',4'-Dimethoxydihydrocinnamoylpyrrole","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","BM1181","Kumar, Rajesh; Parmar, Virinder S.; Errington, William; Wengel, Jesper; Olsen, Carl E.","1-(3,4-Dimethoxy-α,β-dihydrocinnamoyl)pyrrole, a Novel Amide from <i>Piper brachystachyum</i>","Acta Crystallographica Section C","1998","54","3","363","365","10.1107/S0108270197015606","","","0.71073","MoKα","","0.0642","0.0453","","","","0.1192","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007064","8.629","0.003","9.599","0.003","6.739","0.003","90","","90.29","0.03","90","","558.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Trifluoromethyl-5-amino-1H-1,2,4-triazole","","- C3 H3 F3 N4 -","- C3 H3 F3 N4 -","- C12 H12 F12 N16 -","4","1","BM1187","Borbulevych, O. Ya.; Shishkin, O. V.; Desenko, S. M.; Chernenko, V. N.; Orlov, V. D.","5-Amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","3","442","444","10.1107/S0108270197014443","","","0.71073","MoKα","","0.121","0.067","","0.312","0.172","","","","1.059","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007065","9.835","0.003","11.403","0.003","14.717","0.003","86.75","0.02","84.65","0.02","76.07","0.02","1594","0.7","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 Cl2 Fe Hg O P2 -","- C35 H28 Cl2 Fe Hg O P2 -","- C70 H56 Cl4 Fe2 Hg2 O2 P4 -","2","1","BM1195","McGinley, John; McKee, Vickie; McKenzie, Christine J.","Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]mercury(II) Methanol Solvate","Acta Crystallographica Section C","1998","54","3","345","347","10.1107/S0108270197014832","","","0.71073","MoKα","","0.057","0.037","","","","0.078","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007066","8.9674","0.0008","9.0604","0.0009","11.8823","0.0011","90","","96.087","0.008","90","","959.97","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-5,8-dihydronaphthalene-1-ol","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","BM1196","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.","2-Acetyl-5,8-dihydronaphthalen-1-ol","Acta Crystallographica Section C","1998","54","3","370","371","10.1107/S0108270197015436","","","0.71073","MoKα","","0.077","0.04","","0.124","0.109","","","","0.881","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007067","11.4598","0.001","12.5892","0.0011","11.1347","0.0012","90","","97.996","0.007","90","","1590.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-piperazin-1,4-diyldimethylene-bis[6-(cyclohexyliminimethyl) -4-methylphenol]","","- C34 H48 N4 O2 -","- C34 H48 N4 O2 -","- C68 H96 N8 O4 -","2","0.5","BM1205","Thirumurugan, R.; Shanmuga Sundara Raj, S.; Shanmugam, G.; Chinnakali, Kandasamy; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Marappan, M.; Kandaswamy, M.","1,4-Bis[3-(<i>N</i>-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine","Acta Crystallographica Section C","1998","54","3","365","367","10.1107/S0108270197016934","","","0.71073","MoKα","","0.096","0.043","","0.124","0.105","","","","0.866","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007068","10.532","0.002","12.384","0.002","18.095","0.005","88.71","0.02","99.55","0.02","99.99","0.02","2292.1","0.9","296","","","","","","","","","","","6","P 1 1 2","P 2","3","","Tatraethylammonium Bis(tripenylphosphino)copper(I)(2,2-dicyano-1,1- ethylenedithiolate, (Et~4~N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]","","- C48 H50 Cu N3 P2 S2 -","- C48 H50 Cu N3 P2 S2 -","- C96 H100 Cu2 N6 P4 S4 -","2","1","BS1018","Su, Weiping; Hong, Maochun; Cao, Rong; Liu, Hanqin","Tetraethylammonium (2,2-Dicyano-1,1-ethylenedithiolato-<i>S</i>,<i>S</i>')bis(triphenylphosphino-<i>P</i>)copper(I), (Et~4~ N)[Cu(PPh~3~)~2~{S~2~C~2~(CN)~2~}]","Acta Crystallographica Section C","1998","54","3","337","338","10.1107/S0108270197009815","","","0.71073","MoKα","","","0.052","","","0.059","","","","","1.44","1.44","","","","","has coordinates","278246","2022-09-28","14:48:12",""
"2007069","18.123","0.004","7.924","0.002","17.732","0.004","90","","111.11","0.03","90","","2375.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraaza- cyclotetradecane Hydrochloride Trihydrate","","- C16 H44 Cl2 N4 O3 -","- C16 H44 Cl2 N4 O3 -","- C64 H176 Cl8 N16 O12 -","4","0.5","CF1175","Simonov, Yurii A.; Bocelli, Gabriele; Fonari, Marina S.; Ganin, Edward V.; Popkov, Yurii A.","Inclusion Complex of <i>rac</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane with Hydrochloride and Water","Acta Crystallographica Section C","1998","54","3","433","436","10.1107/S0108270197013292","","","1.5418","CuKα","","0.0392","0.0372","","0.1069","0.0951","","","","1.023","1.024","1.024","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007070","13.154","0.007","13.154","0.007","11.869","0.008","90","","90","","90","","2054","2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","[N-(1'-Phenylethyl)-2-azabicyclo[4,3,0]-6-allyl-8,8-dimethyl-3-oxonon -5-yl]-carboxylic acid","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","CF1188","Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine","6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone","Acta Crystallographica Section C","1998","54","3","401","403","10.1107/S0108270197015448","","","0.7107","MoKα","","0.04","0.031","","0.095","0.073","","","","1.083","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007071","9.3028","0.001","8.5506","0.0006","23.96","0.002","90","","97.636","0.008","90","","1889","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C88 H80 O16 S4 -","4","1","CF1196","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vaylakkavoor T.","8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1998","54","3","367","368","10.1107/S0108270197014522","","","0.71073","MoKα","","0.05","0.04","","0.116","0.111","","","","1.048","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007072","8.9","0.002","11.508","0.002","7.7675","0.001","94.713","0.014","107.873","0.013","67.784","0.014","700.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","diphenylsulfoximidium hydrogen sulfate","","","- C12 H13 N O5 S2 -","- C12 H13 N O5.02 S2 -","- C24 H26 N2 O10.04 S4 -","2","1","CF1214","Longridge, John J.; Rawson, Jeremy M.; Feeder, Neil; Raithby, Paul R.","The First Structural Characterization of a Sulfoximidium Salt","Acta Crystallographica Section C","1998","54","3","398","399","10.1107/S0108270197016569","","","0.71069","MoKα","","0.052","0.0357","","0.0993","0.0896","","","","1.026","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007073","11.503","0.005","17.843","0.005","19.132","0.009","90","","106.51","0.03","90","","3765","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,2-di-t-butylamino-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cycltriphosphazene cobalt(II)chloride","","","- C28 H48 Cl2 Co N13 P3 -","- C28 H48 Cl2 Co N13 P3 -","- C112 H192 Cl8 Co4 N52 P12 -","4","1","DE1067","K. R. Justin Thomas","A Novel Cyclotriphosphazene Complex with a Short Transannular P···P Contact","Acta Crystallographica Section C","1998","54","3","331","333","10.1107/S0108270197015114","","","0.71073","MoKα","","0.0472","0.0327","","0.0893","0.077","","","","1.088","1.057","1.057","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007074","8.597","0.001","15.42","0.002","22.449","0.003","90","","90","0.02","90","","2976","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O5 S -","- C14 H11 N3 O5 S -","- C112 H88 N24 O40 S8 -","8","1","DU1181","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard","2-Acétamido-2',4'-dinitrodiphénylsulfure","Acta Crystallographica Section C","1998","54","3","391","392","10.1107/S0108270197013462","","","0.71069","MoKα","","0.0476","0.0438","","0.0897","0.0893","","","","0.968","1.292","1.292","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007075","8.7286","0.0006","8.0635","0.0006","12.261","0.0009","90","","105.79","0.001","90","","830.4","0.1","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) chloride","","","- C15 H26 Cl2 Cu N2 -","- C15 H26 Cl2 Cu N2 -","- C30 H52 Cl4 Cu2 N4 -","2","1","FG1370","Lopez, Susan; Muravyov, Igor; Pulley, Shon R.; Keller, Steven W.","Dichloro[({-})-sparteine-<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","1998","54","3","355","357","10.1107/S0108270197015886","","","0.7107","MoKα","","0.0487","0.0414","","","","0.0994","","","0.979","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007076","12.433","0.002","6.629","0.001","24.559","0.004","90","","93.38","0.01","90","","2020.6","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid","","- C22 H34 O3 -","- C22 H34 O3 -","- C88 H136 O12 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.188","0.073","","0.156","0.109","","","","1.05","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007077","12.696","0.003","6.168","0.002","26.784","0.007","90","","101.26","0.02","90","","2057.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","22,23-Bisnor-5α-cholanic acid-3-one Monohydrate","(+)-22,23-Bisnor-3-oxo-5α-cholanic Acid Monohydrate","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","1","FG1381","Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J.","(+)-3-Oxo-23,24-dinor-5α-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate","Acta Crystallographica Section C","1998","54","3","421","424","10.1107/S0108270197016296","","","0.71073","MoKα","","0.062","0.044","","0.131","0.106","","","","1.05","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007078","36.12","0.002","36.12","0.002","14.787","0.001","90","","90","","120","","16707.3","1.7","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H34 O2 -","- C41.9997 H33.4286 O1.99971 -","- C881.994 H702 O41.994 -","21","1.16667","FG1398","Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R.","1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with <i>Z</i>' = 7/6","Acta Crystallographica Section C","1998","54","3","412","415","10.1107/S0108270197016703","","","1.54184","CuKα","","0.083","0.057","","","0.059","","","","","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007079","6.8684","0.001","11.537","0.002","17.079","0.003","90","","90","","90","","1353.4","0.4","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cyclic Selenenamide","[3aR-(3aα,4α,7α,7aα)]-2-Acetylhexahydro-4,8,8-trimethyl-4,7-methano- 1,2-benzisoselenazol-3a(4H)-ol","","- C13 H21 N O2 Se -","- C13 H21 N O2 Se -","- C52 H84 N4 O8 Se4 -","4","1","FG1405","Back, Thomas G.; Dyck, Brian P.; Nan, Siqiao; Parvez, Masood","[3a<i>R</i>-(3aα,4α,7α,7aα)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol","Acta Crystallographica Section C","1998","54","3","425","427","10.1107/S0108270197015916","","","1.54178","CuKα","","0.037","0.033","","0.088","0.085","","","","1.113","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007080","12.346","0.003","5.244","0.003","14.362","0.002","90","","94.77","0.02","90","","926.6","0.6","296","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","FR1089","Okabe, Nobuo; Adachi, Yukari","1<i>H</i>-Indole-3-propionic Acid","Acta Crystallographica Section C","1998","54","3","386","387","10.1107/S010827019701593X","","","0.71069","MoKα","","","0.042","","","0.045","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007081","14.645","0.0009","17.9176","0.0012","8.152","0.0005","90","","114.188","0.001","90","","1951.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Na O12 Rh2 -","- C12 H19 Na O12 Rh2 -","- C48 H76 Na4 O48 Rh8 -","4","0.5","FR1090","Wei, Xinyi; Dickman, Michael H.; Pope, Michael T.","Sodium Hydrogen Hexaacetatodirhodate(II)","Acta Crystallographica Section C","1998","54","3","351","352","10.1107/S0108270197014662","","","0.71073","MoKα","","0.0412","0.033","","0.069","0.0651","","","","1.16","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007082","9.831","0.003","9.817","0.002","13.488","0.004","90","","107.11","0.02","90","","1244.1","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aα,7aα)-Chloromethyl-8,8-dichloro-2,3-dihydro-5-methoxy-3a,7a-methano- 1H-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","HA1196","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone","Acta Crystallographica Section C","1998","54","3","378","380","10.1107/S0108270197014893","","","1.5418","CuKα","","0.062","0.05","","0.145","0.119","","","","1.152","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007083","6.383","0.002","23.443","0.004","8.031","0.002","90","","107.92","0.02","90","","1143.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aα,8aα)-6,9,9-Trichloro-2,3,5,8-tetrahydro-1H,4H-3a,8a-methanoazulen-5-one","","- C11 H11 Cl3 O -","- C11 H11 Cl3 O -","- C44 H44 Cl12 O4 -","4","1","HA1196","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone","Acta Crystallographica Section C","1998","54","3","378","380","10.1107/S0108270197014893","","","1.5418","CuKα","","0.059","0.042","","0.211","0.188","","","","0.91","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007084","10.756","0.002","7.069","0.001","10.16","0.002","90","","91.9","0.03","90","","772.1","0.2","295","0.1","295","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-Bis(3,5-dioxopiperazine-1-yl)hexane","","- C14 H22 N4 O4 -","- C14 H22 N4 O4 -","- C28 H44 N8 O8 -","2","0.5","HA1201","Liu, Q.; Zhang, S.-W.; Shao, M.-C.","Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione)","Acta Crystallographica Section C","1998","54","3","439","440","10.1107/S0108270197014844","","","0.71073","MoKα","","0.087","0.058","","0.103","0.053","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007085","9.253","0.008","12.88","0.02","12.455","0.01","90","","109.69","0.07","90","","1398","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Br4 I2 Pd S6 -","- C12 H24 Br4 I2 Pd S6 -","- C24 H48 Br8 I4 Pd2 S12 -","2","0.5","HA1202","Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions","Acta Crystallographica Section C","1998","54","3","295","298","10.1107/S0108270197014212","","","0.71073","MoKα","","0.1236","0.0935","","","","0.2882","","","","","","1.065","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007086","14.651","0.002","9.3117","0.0007","16.7648","0.0011","90","","93.468","0.01","90","","2283","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H20 Br4 I2 Pd S4 -","- C10 H20 Br4 I2 Pd S4 -","- C40 H80 Br16 I8 Pd4 S16 -","4","0.5","HA1202","Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions","Acta Crystallographica Section C","1998","54","3","295","298","10.1107/S0108270197014212","","","0.71073","MoKα","","0.0523","0.0392","","0.1102","0.0903","","","","1.055","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007087","16.885","0.006","18.689","0.004","9.452","0.003","90","","94.05","0.05","90","","2975.3","1.6","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H32 I6 N6 Ni -","- C15 H32 I6 N6 Ni -","- C60 H128 I24 N24 Ni4 -","4","1","HA1203","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","299","302","10.1107/S0108270197014200","","","0.71073","MoKα","","0.0429","0.0377","","","","0.0948","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007088","7.787","0.007","9.173","0.009","9.382","0.006","99.03","0.09","101.14","0.09","107.43","0.1","610.6","1.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H26 I6 N4 Pd -","- C11 H22 I6 N4 Pd -","- C11 H22 I6 N4 Pd -","1","0.5","HA1203","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","3","299","302","10.1107/S0108270197014200","","","0.71073","MoKα","","0.061","0.0503","","0.1133","0.1044","","","","1.154","1.145","1.145","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007089","7.597","0.002","7.422","0.001","9.466","0.002","90","","95.47","0.03","90","","531.31","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-vanadium(IV) hydrogenphosphat dihydrat","α-oxovanadium(IV)hydrogen phosphate dihydrate","","- H5 O7 P V -","- H5 O7 P V -","- H20 O28 P4 V4 -","4","1","JZ1223","Horst Worzala; Goetze, Thomas; Fratzky, Dietmar; Manfred Meisel","Redetermination of Monoclinic VOHPO~4~.2H~2~O","Acta Crystallographica Section C","1998","54","3","283","285","10.1107/S0108270197014017","","","0.71073","MoKα","","0.0213","0.0178","","0.0464","","0.0464","","","1.119","","","1.119","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007090","11.708","0.002","8.991","0.002","14.994","0.002","90","","106.46","0.01","90","","1513.7","0.5","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mn N2 O6 -","- C12 H12 Mn N2 O6 -","- C48 H48 Mn4 N8 O24 -","4","1","JZ1229","Okabe, Nobuo; Koizumi, Makiko","Diaquabis(2-pyridinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)","Acta Crystallographica Section C","1998","54","3","288","290","10.1107/S0108270197016326","","","0.71069","MoKα","","","0.036","","","0.046","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007091","6.7233","0.0008","8.8573","0.0008","17.0033","0.0012","99.151","0.008","94.253","0.01","92.019","0.007","995.77","0.17","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Trimethylenedipyridinium (1+) 1,3,5-benzenetricarboxylate (1-)","","- C22 H20 N2 O6 -","- C22 H20 N2 O6 -","- C44 H40 N4 O12 -","2","1","JZ1242","Ferguson, George; Glidewell, Christopher; McManus, Gordon D.; Meehan, Paul R.","A Perforated Molecular Tape in the 1:1 Salt of 4,4'-Trimethylenedipyridine and 1,3,5-Benzenetricarboxylic acid","Acta Crystallographica Section C","1998","54","3","418","421","10.1107/S0108270197012110","","","0.7107","MolybdenumKα","","0.0968","0.0509","","","","0.1227","","","","","","1.028","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007092","7.9688","0.0009","9.9716","0.001","17.2571","0.0013","90","","98.592","0.009","90","","1355.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimeric (imidazole)(N-salicylidene-R,S-alaninato)copper(II)","","- C13 H13 Cu N3 O3 -","- C13 H13 Cu N3 O3 -","- C52 H52 Cu4 N12 O12 -","4","1","JZ1251","Warda, Salam A.","Dimeric (Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-<i>rac</i>-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","3","304","306","10.1107/S0108270197014856","","","0.71073","MoKα","","0.0675","0.0413","","","","0.0969","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007093","7.775","0.0005","8.1044","0.0007","11.624","0.0009","70.474","0.008","81","0.008","89.478","0.008","681.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ, μ'-Pyrazine-bis(N-salicylidene-R,S-alaninato-copper(II)) tetrahydrate","","- C24 H30 Cu2 N4 O10 -","- C24 H30 Cu2 N4 O10 -","- C24 H30 Cu2 N4 O10 -","1","0.5","JZ1252","Warda, Salam A.","Polymeric μ,μ'-Pyrazine-<i>N</i>,<i>N</i>'-bis(<i>N</i>-salicylidene-<i>R</i>,<i>S</i>-alaninato)copper(II) Tetrahydrate","Acta Crystallographica Section C","1998","54","3","302","304","10.1107/S0108270197015783","","","0.71073","MoKα","","","0.0366","","","","0.0821","","","","","","1.017","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007094","11.801","0.002","13.206","0.003","21.697","0.004","90","","103.144","0.015","90","","3292.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Bis[(2-Diphenylphosphinoethyl)dimethylstannyl]platinum(II)","","- C32 H40 P2 Pt Sn2 -","- C32 H40 P2 Pt Sn2 -","- C128 H160 P8 Pt4 Sn8 -","4","1","JZ1255","Baumeister, Ute; Hartung, Helmut; Schulz, Torsten; Weichmann, Horst","<i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)","Acta Crystallographica Section C","1998","54","3","333","335","10.1107/S0108270197014029","","","0.71073","MoKα","","0.0411","0.0285","","0.0712","0.0673","","","","1.085","1.138","1.138","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007095","6.781","0.001","15.53","0.003","21.179","0.004","90","","90","","90","","2230.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine","","- C27 H37 N O2 -","- C27 H37 N O2 -","- C108 H148 N4 O8 -","4","1","KA1249","Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias","A Steroidal Dihydro-1,3-oxazine Derivative","Acta Crystallographica Section C","1998","54","3","372","373","10.1107/S0108270197016338","","","0.71073","MoKα","","0.046","0.04","","","","0.099","","","","","","1.116","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007096","6.4376","0.0008","9.744","0.0009","10.8177","0.001","92.328","0.008","96.772","0.011","99.011","0.011","664.31","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","Tetramethylsulfate","1,3,2-Dioxathiepane, 2,2-dioxide","","- C4 H8 O4 S -","- C4 H8 O4 S -","- C16 H32 O16 S4 -","4","2","KA1250","Krüger, Carl; Kessler, Magnus; Six, Christian; Leitner, Walter","A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide","Acta Crystallographica Section C","1998","54","3","389","390","10.1107/S010827019701634X","","","0.71069","MoKα","","0.081","0.042","","0.115","0.096","","","","1.019","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007097","8.955","0.004","9.702","0.005","14.003","0.005","84.72","0.03","85","0.03","68.74","0.03","1127.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Isocyanato)bis(2,2'-bipyridine)copper(II) Tricyanomethanide","","- C25 H16 Cu N8 O -","- C25 H16 Cu N8 O -","- C50 H32 Cu2 N16 O2 -","2","1","KA1256","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1998","54","3","313","315","10.1107/S0108270197014510","","","0.71073","MoKα","","0.163","0.033","","0.1","","0.07","","","0.583","","","0.691","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007098","8.5162","0.0012","8.8856","0.0014","16.625","0.002","81.103","0.011","82.321","0.014","71.925","0.011","1176.6","0.3","133","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","2","KA1257","Bats, Jan W.; Hashmi, A. Stephen K.","<i>meso</i>-1-[3-(1-Hydroxy-3-butynyl)phenyl]-3-butyn-1-ol","Acta Crystallographica Section C","1998","54","3","376","378","10.1107/S0108270197016351","","","0.71073","MoKα","","","0.06","","","0.074","","","","","2.585","2.585","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007099","9.3972","0.0001","12.3917","0.0001","13.7857","0.0002","90","","90","","90","","1605.31","0.03","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bromohydridomethyl-bis-(4-Methylpyridinium)-siliciumbromid","","- C13 H18 Br2 N2 Si -","- C13 H18 Br2 N2 Si -","- C52 H72 Br8 N8 Si4 -","4","1","KA1258","Hensen, Karl; Kettner, Markus; Bolte, Michael","Bromo(hydrido)methylbis(4-methylpyridine-<i>N</i>)silicon Bromide at 173K","Acta Crystallographica Section C","1998","54","3","358","359","10.1107/S0108270197015801","","","0.71073","MoKα","","0.033","0.024","","0.043","0.042","","","","1.001","1.033","1.033","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007100","12.9274","0.0001","10.7353","0.0001","20.1194","0.0002","90","","92.849","0.001","90","","2788.71","0.04","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 Cl N6 -","- C36 H25 Cl N6 -","- C144 H100 Cl4 N24 -","4","1","KA1259","Hensen, Karl; Gebhardt, Frank; Bolte, Michael","1,10-Phenanthrolin-1-ium Chloride Bis(1,10-phenanthroline) Solvate at 143K","Acta Crystallographica Section C","1998","54","3","359","361","10.1107/S0108270197016363","","","0.71073","MoKα","","0.0963","0.0539","","0.1212","0.1053","","","","1.063","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007101","26.094","0.004","9.717","0.002","6.325","0.002","90","","90","","90","","1603.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R)-4,5-dihydro-4,4-dimethyl-3(1H)-2-oxofuran-3-yl(2S)-2-(2,3-dihydro -1,4-benzodioxin-6-yl)propionate","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","LN1022","M. Teresa Vázquez,; M. Dolors Pujol; Xavier Solans","(3<i>S</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2<i>S</i>)-2-(1,4-Benzodioxin-6-yl)propionate","Acta Crystallographica Section C","1998","54","3","428","430","10.1107/S0108270197015618","","","0.71069","MoKα","","0.0872","0.0491","","0.1593","0.1086","","","","0.949","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007102","8.897","0.002","11.242","0.004","17.13","0.02","104.46","0.02","93.79","0.02","90.3","0.02","1655","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Piperazinium (2,6-dichlorophenylamino)phenylacetate dihydrate","","- C32 H36 Cl4 N4 O6 -","- C32 H36 Cl4 N4 O6 -","- C64 H72 Cl8 N8 O12 -","2","1","LN1032","Carlo Castellari; Stefano Ottani","Stereochemistry of Anti-Inflammatory Drugs. VI. Piperazinium 2-(2,6-Dichlorophenylamino)phenylacetate Dihydrate, (H~2~PZ)<i>D</i>~2~.2H~2~O","Acta Crystallographica Section C","1998","54","3","415","417","10.1107/S010827019701490X","","","0.71069","MoKα","","0.1017","0.0409","","0.1154","0.0913","","","","1.012","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007103","10.153","0.003","12.228","0.003","14.166","0.003","100.284","0.014","98.644","0.011","112.866","0.01","1547","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 B F4 N7 O3 Zn -","- C32 H30 B F4 N7 O3 Zn -","- C64 H60 B2 F8 N14 O6 Zn2 -","2","1","MU1311","Fenton, David E.; Adams, Harry; He, Qing-Yu","(Benzoato-<i>O</i>){tris[(2-benzimidazolyl-<i>N</i>^3^)methyl]amine-<i>N</i>}zinc(II) Tetrafluoroborate Methanol Solvate","Acta Crystallographica Section C","1998","54","3","286","287","10.1107/S0108270197015941","","","0.71073","MoKα","","0.0723","0.0567","","0.1528","0.1475","","","","0.986","1.125","1.125","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007104","10.441","0.001","10.772","0.001","11.079","0.001","87.95","0.01","75.16","0.01","62.9","0.01","1067.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-(3,4-dichloro)phenyl-4-(2-thiophenyl)-5,5-dicarbethoxy pyrrolidine-2-one","","- C20 H19 Cl2 N O5 S -","- C20 H19 Cl2 N O5 S -","- C40 H38 Cl4 N2 O10 S2 -","2","1","MU1338","Ray, Jayanta Kumar; Chakraborty, Arindam; Adhikari, Sujit Das; Chinnakali, Kandasamy; Fun, Hoong-Kun","Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate","Acta Crystallographica Section C","1998","54","3","368","370","10.1107/S0108270197016715","","","0.71073","MoKα","","0.091","0.053","","0.141","0.119","","","","1.015","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007105","9.6642","0.0006","9.5221","0.0006","16.1965","0.0004","90","","107.036","0.002","90","","1425.06","0.13","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrilediaquotrichloroerbium(III) Acetonitrile Solvate.","","- C6 H13 Cl3 Er N3 O2 -","- C6 H13 Cl3 Er N3 O2 -","- C24 H52 Cl12 Er4 N12 O8 -","4","1","MU1345","Errington, William; Spry, Marcus P.; Willey, Gerald R.","Bis(acetonitrile-<i>N</i>)diaquatrichloroerbium(III) Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","3","290","291","10.1107/S0108270197015163","","","0.71073","MoKα","","0.034","0.024","","0.052","0.05","","","","0.985","1.023","1.023","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007106","8.082","0.002","12.554","0.002","16.724","0.005","74.02","0.02","85.21","0.03","89.39","0.02","1625.4","0.7","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 N P Pd -","- C14 H16 Cl2 N P Pd -","- C56 H64 Cl8 N4 P4 Pd4 -","4","2","MU1349","Spicer, Mark D.","<i>cis</i>-Dichloro(2-diphenylphosphinoethylamine-<i>N</i>,<i>P</i>)palladium(II)","Acta Crystallographica Section C","1998","54","3","308","310","10.1107/S0108270197016752","","","0.71069","MoKα","","0.065","0.042","","0.039","0.036","","","","","1.117","1.117","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007107","5.8839","0.0011","9.104","0.002","9.205","0.002","92.6","0.02","101.697","0.015","107.608","0.014","457.21","0.17","293","","293","","","","","","","","","6","P -1","-P 1","2","","trans-Diperchlorato-bis(pyridine-2-carboxamide-N',O)copper(II)","","- C12 H12 Cl2 Cu N4 O10 -","- C12 H12 Cl2 Cu N4 O10 -","- C12 H12 Cl2 Cu N4 O10 -","1","0.5","MU1350","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","<i>trans</i>-Diperchloratobis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","322","324","10.1107/S010827019701487X","","","0.71073","MoKα","","0.0404","0.0362","","","","0.0947","","","","","","1.072","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007108","17.491","0.002","12.428","0.001","19.081","0.002","90","","96.18","0.01","90","","4123.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-(μ-bis(diphenylphosphino)methane) -3-(trimethylphosphite-P)triangulotriruthenium(0)","","- C37 H31 O12 P3 Ru3 -","- C37 H31 O12 P3 Ru3 -","- C148 H124 O48 P12 Ru12 -","4","1","MU1351","Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Mohmad Ashari,Dewiyana; Fun, Hoong-Kun; Abdul Razak, Ibrahim","1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[μ-bis(diphenylphosphino)methane-<i>P</i>',<i>P</i>'']-3-(trimethylphosphite-<i>P</i>)triangulotriruthenium(0)","Acta Crystallographica Section C","1998","54","3","329","331","10.1107/S0108270197014881","","","0.71073","MoKα","","0.0337","0.0274","","0.0747","0.0722","","","","1.029","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007109","13.849","0.001","13.94","0.001","22.024","0.002","95.77","0.01","99.45","0.01","91.51","0.01","4168.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H94 Mo12 N15 O47 P5 Si -","- C30 H92 Mo12 N15 O46.5 P5 Si -","- C60 H184 Mo24 N30 O93 P10 Si2 -","2","1","MU1354","Fun, Hoong-Kun; Chinnakali, Kandasamy; Yip, Boon-Chuan; Niu, Jing-Yang; Wang, Jing-Ping; You, Xiao-Zeng","A Dihydrate Complex of Molybdosilicic Acid and Hexamethylphosphoramide, [{(CH~3~)~2~N}~3~PO]~5~[H~4~SiMo~12~O~40~].2H~2~O","Acta Crystallographica Section C","1998","54","3","327","329","10.1107/S0108270197015850","","","0.71073","MoKα","","0.065","0.044","","0.125","0.116","","","","0.961","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007110","8.839","0.003","13.858","0.003","37.155","0.012","90","","92.51","0.03","90","","4547","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hexacarbonyl-1κ^3^C,2κ^3^C-μ~2~-(4-methylbenz-1-al)hydrazone-1:2κ^2^N^1^- -N^1^-[5-methyl-2(2,3-η)-benzylidene-1κC^3^]-di-iron","","- C22 H16 Fe2 N2 O6 -","- C22 H16 Fe2 N2 O6 -","- C176 H128 Fe16 N16 O48 -","8","2","MU1358","Zachara, Janusz; Zimniak, Andrzej","An Azomethylene Carbonyliron Complex from 4,4'-Dimethylbenzaldazine, μ~2~,η^2^,σ^3^-(4-Methylbenz-1-al)hydrazone-<i>N</i>^1^-(5-methylbenzylidene)hexacarbonyldiiron","Acta Crystallographica Section C","1998","54","3","353","355","10.1107/S0108270197015990","","","0.71073","MoKα","","0.0525","0.0327","","0.0899","0.0741","0.0805","","","1.144","1.104","1.104","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007111","9.72","0.002","9.735","0.002","10.111","0.002","93.12","0.02","112.8","0.02","108.05","0.02","821.8","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Al Cl N -","- C16 H21 Al Cl N -","- C32 H42 Al2 Cl2 N2 -","2","1","MU1362","Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.","Chloro(dibenzylamine-<i>N</i>)dimethylaluminium(III)","Acta Crystallographica Section C","1998","54","3","335","337","10.1107/S010827019701679X","","","0.71069","MoKα","","0.077","0.036","","0.048","0.043","","","","","1.614","1.614","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007112","8.907","0.001","10.042","0.002","11.927","0.002","90","","103.64","0.01","90","","1036.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu N4 O10 -","- C18 H22 Cu N4 O10 -","- C36 H44 Cu2 N8 O20 -","2","0.5","MU1367","Yi Wang; Helen Stoeckli-Evans","Diaquabis(5-methoxycarbonyl-3,6-dimethylpyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","1998","54","3","306","308","10.1107/S0108270197015643","","","0.71073","MoKα","","0.101","0.045","","0.116","0.089","","","","1.144","1.131","1.131","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007113","7.3941","0.0005","10.532","0.001","25.684","0.002","90","","90.585","0.005","90","","2000","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl3 Co N4 O3 -","- C16 H28 Cl3 Co N4 O3 -","- C64 H112 Cl12 Co4 N16 O12 -","4","1","MU1372","Edwards, Karen-Leigh T.; Alcock, Nathaniel W.; Busch, Daryle H.","The Monomeric Form of a Cobalt(III) Complex of a Tetraaza Macrocyclic Ligand with a Dangling Carboxylate Arm","Acta Crystallographica Section C","1998","54","3","340","342","10.1107/S0108270197015175","","","0.71073","MoKα","","0.0934","0.0521","","0.0996","0.0866","","","","1.06","1.122","1.122","","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2007114","15.896","0.002","11.1691","0.0005","10.365","0.001","90","","90","","90","","1840.2","0.3","180","2","180","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chloro[N,N',N''-trimethyl-1,5,9-triazacyclododecane] Zinc(II) Hexafluorophosphate.","","- C12 H27 Cl F6 N3 P Zn -","- C12 H27 Cl F6 N3 P Zn -","- C48 H108 Cl4 F24 N12 P4 Zn4 -","4","1","MU1373","Alcock, Nathaniel W.; Clase, Howard J.; Siltchenko, Svetlana; Rybak-Akimova, Elena; Busch, Daryle H.","Chloro(<i>N</i>,<i>N</i>',<i>N</i>''-trimethyl-1,5,9-triazacyclododecane-κ^3^<i>N</i>)zinc(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","3","338","340","10.1107/S0108270197015187","","","0.71073","MoKα","","0.0189","0.0171","","","","0.0427","","","","","","1.032","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007115","22.935","0.004","27.125","0.003","8.332","0.001","90","","90","","90","","5183.4","1.2","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ambroxol Theophylline-7-Acetate Salt Monohydrate","Cyclohexanol-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-trans -mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6,dioxo-7H-purine-7-acetate) (salt)","","- C22 H30 Br2 N6 O6 -","- C22 H30 Br2 N6 O6 -","- C176 H240 Br16 N48 O48 -","8","1","NA1242","Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea","Ambroxol Theophylline-7-acetate Salt Monohydrate","Acta Crystallographica Section C","1998","54","3","407","410","10.1107/S0108270196009328","","","0.7107","MoKα","","0.174","0.086","","0.19","","0.143","","","1.187","","","1.317","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007116","7.089","0.001","9.648","0.002","9.798","0.001","94.12","0.01","108.04","0.01","101.22","0.02","618.71","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","NA1306","Nicoló, Francesco; Panzalorto, Manuela; Scopelliti, Rosario; Grassi, Giovanni; Risitano, Francesco","5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine","Acta Crystallographica Section C","1998","54","3","405","407","10.1107/S0108270197014972","","","0.71073","MoKα","","0.082","0.034","","0.081","0.073","","","","0.748","1.02","1.02","","","","","has coordinates","211412","2020-10-21","18:00:00",""
"2007117","9.906","0.003","10.635","0.003","8.126","0.001","90.56","0.02","94.84","0.03","116.49","0.02","762.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Cyclohexanone-2,4,4,6-tetramethylester","","- C14 H18 O9 -","- C14 H18 O9 -","- C28 H36 O18 -","2","1","OA1039","Hughes, Andrew B.; Mackay, Maureen F.","Cyclohexanone-2,4,4,6-tetramethyl Ester","Acta Crystallographica Section C","1998","54","3","380","382","10.1107/S0108270197014984","","","1.5418","CuKα","","0.047","0.044","","0.124","0.121","","","","1.066","1.092","1.092","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007118","12.335","0.003","14.052","0.001","13.492","0.003","90","","91.68","0.01","90","","2337.6","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C104 H100 N4 O16 S4 -","4","2","QA0029","Berger, Bernd; Bolte, Michael","(1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one","Acta Crystallographica Section C","1998","54","3","IUC9800006","","10.1107/S010827019809979X","","","1.5418","CuKα","","0.0311","0.0302","","","","0.0828","","","","","","1.058","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007119","7.086","0.002","8.329","0.003","11.655","0.005","71.22","0.05","85.53","0.03","86.14","0.04","648.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","efaroxan hydrochloride","[2-[2-ethyl-2,3-dihydro-2-benzofuranyl]]-2-imidazolinium chloride","","- C13 H17 Cl N2 O -","- C13 H17 Cl N2 O -","- C26 H34 Cl2 N4 O2 -","2","1","QB0028","Belin, Claude; Pena, Richard; Chauvet, Alain; Ribet, Jean Paul; Maurel, Jean Louis","Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride","Acta Crystallographica Section C","1998","54","3","IUC9800004","","10.1107/S0108270198099818","","","0.7109","MoKα","","0.211","0.0504","","","","0.1512","","","","","","0.855","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007120","9.5229","0.0011","9.5229","0.0011","14.736","0.002","90","","90","","90","","1336.3","0.3","170","1","170","1","","","","","","","","3","P 43","P 4cw","78","O-methyldehydronorcacalol","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","QB0029","Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.","<i>O</i>-Methyldehydronorcacalol","Acta Crystallographica Section C","1998","54","3","IUC9800005","","10.1107/S0108270198099806","","","0.71069","MoKα","","0.0844","0.0377","","","","0.1065","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007121","5.057","0.002","11.046","0.002","12.531","0.002","88.525","0.014","87.03","0.02","79.29","0.02","686.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","QC0001","Suchada Chantrapromma; Narintha Chawaluechai; Chatchanok Karalai; Kan Chantrapromma; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak","2,3-Dihydro-6,7-dimethyl-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","3","IUC9800007","","10.1107/S0108270198099788","","","0.71073","MoKα","","0.0812","0.0521","","0.1658","0.151","","","","1.024","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007122","18.331","0.004","3.678","0.003","17.052","0.001","90","","98.43","0.02","90","","1137.2","1","292","","292","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-(nitramino)pyridine","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C40 H40 N24 O16 -","8","1","SK1128","Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir","2-(Nitroamino)pyridine","Acta Crystallographica Section C","1998","54","3","441","442","10.1107/S0108270197015503","","","0.71073","MoKα","","","0.043","","","","0.071","","","","","","1.232","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2007123","8.981","0.004","9.72","0.003","14.451","0.004","104.83","0.03","92.42","0.03","110.62","0.03","1129.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese tris(ethylendiamine) ethylenediammonium tetraselenoantimonat","","","- C8 H33 Mn N8 Sb Se4 -","- C8 H33 Mn N8 Sb Se4 -","- C16 H66 Mn2 N16 Sb2 Se8 -","2","1","SK1148","Wendland, Frank; Näther, Christian; Schur, Michael; Bensch, Wolfgang","H~2~N(CH~2~)~2~NH~3~^+^.[Mn{H~2~N(CH~2~)~2~NH~2~}~3~]^2+^.[Sb Se~4~]^3{-^}","Acta Crystallographica Section C","1998","54","3","317","319","10.1107/S0108270197014030","","","0.71073","MoKα","","0.0786","0.0428","","0.1194","0.1073","","","","0.991","1.057","1.057","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007124","14.458","0.001","7.569","0.001","12.768","0.001","90","","105.8","0.01","90","","1344.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne","","- C22 H42 O2 Si2 -","- C22 H42 O2 Si2 -","- C44 H84 O4 Si4 -","2","0.5","SK1151","Wicki, Andreas; Grüschow, Sabine; Lüthi, Therese; von Grothe, Julia; Capelli, Silvia; Hauser, Jürg; Keese, Reinhart","<i>meso</i>-3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-octadiyne","Acta Crystallographica Section C","1998","54","3","382","384","10.1107/S0108270197016855","","","0.71073","MoKα","","0.067","0.051","","","","0.154","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007125","6.973","0.001","7.678","0.001","14.472","0.001","90","","92.83","0.003","90","","773.87","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(αS,1S,2R)-2-methyl-1(α-methylbenzylamino)-cyclohexanecarboxamide","","- C16 H24 N2 O -","- C16 H24 N2 O -","- C32 H48 N4 O2 -","2","1","SK1153","Volk, Franz-Josef; Mattern, Günter; Weckert, Edgar; Frahm, August W.","The Absolute Configuration of <i>cis</i>-(α<i>S</i>,1<i>S</i>,2<i>R</i>)-2-Methyl-1-(α-methylbenzylamino)cyclohexanecarboxamide","Acta Crystallographica Section C","1998","54","3","387","389","10.1107/S0108270197013917","","","0.71073","MoKα","","0.0361","0.0361","","0.0387","0.0387","","","","1.16","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007126","9.545","0.001","32.428","0.005","6.81","0.001","90","","90","","90","","2107.9","0.5","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6S)-exo-2-acetoxy-3,3,endo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0872","0.0555","","","","0.1586","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007127","14.714","0.001","11.001","0.001","14.736","0.002","90","","118.527","0.008","90","","2095.7","0.4","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","2","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0504","0.0478","","","","0.1329","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007128","11.5461","0.0011","12.2484","0.0007","7.169","0.005","90","","102.487","0.004","90","","989.9","0.7","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1R,2S,4R,5S)-exo-2-acetoxy-3,3-dimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0438","0.043","","","","0.1088","","","","","","1.084","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007129","12.806","0.001","22.332","0.003","7.2582","0.001","90","","90","","90","","2075.7","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6R)-exo-2-acetoxy-3,3,exo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0408","0.0394","","","","0.1027","","","","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007130","15.58","0.001","12.889","0.001","6.236","0.0001","90","","99.051","0.004","90","","1236.66","0.13","292","2","292","2","","","","","","","","3","P 1 21 1","P 2yb","4","","((1S,2S,4R,5R,6S)-exo-2-acetoxy-endo-6-(3-butenyl)-3,3,exo-6- trimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.5418","CuKα","","0.0505","0.0491","","","","0.1298","","","","","","1.081","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007131","5.929","0.001","9.131","0.001","11.716","0.001","107.94","0.01","96.29","0.01","93.88","0.01","596.35","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","OLPADRONATE","Monosodium 3(N,N-dimethyl)-1-hydroxy-1,1'-bisphosphonate, hydrate (Olpadronate)","","- C5 H16 N Na O8 P2 -","- C5 H16 N Na O8 P2 -","- C10 H32 N2 Na2 O16 P4 -","2","1","SX1043","Vega, Daniel; Baggio, Ricardo; Piro, Oscar","Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate)","Acta Crystallographica Section C","1998","54","3","324","327","10.1107/S0108270197013553","","","0.71073","MoKα","","0.0903","0.0419","","0.1253","0.0956","","","","1.1","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007132","7.516","0.001","12.962","0.002","8.55","0.001","90","","97.78","0.01","90","","825.29","0.19","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","TA1190","Crisp, Geoffrey T.; Jiang, Yin-Lin; Tiekink, Edward R.T.","2-(<i>N</i>-Acetylamino)pent-4-ynamide","Acta Crystallographica Section C","1998","54","3","436","437","10.1107/S0108270197016429","","","0.7107","MoKα","","","0.0441","","","0.0511","","","","","2.151","2.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007133","6.8829","0.0002","6.9979","0.0003","7.8655","0.0003","111.529","0.001","95.615","0.002","106.786","0.002","328.45","0.02","153","2","153","2","","","","","","","","3","P -1","-P 1","2","cyclotene hydrate","2-Hydroxy-3-methylcyclopent-2-enone hydrate","","- C6 H10 O3 -","- C6 H10 O3 -","- C12 H20 O6 -","2","1","TA1197","Fayle, Siân E.; Gerrard, Juliet A.; Nursten, Harry E.; Steel, Peter J.","Cyclotene Hydrate, C~6~H~8~O~2~.H~2~O","Acta Crystallographica Section C","1998","54","3","404","405","10.1107/S0108270197013632","","","0.71073","MoKα","","","0.0445","","","","0.1156","","","","","","1.135","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007134","8.54","0.003","9.536","0.002","15.819","0.006","93.31","0.02","94.12","0.03","90.67","0.02","1282.6","0.7","122","0.5","122","0.5","","","","","","","","5","P -1","-P 1","2","","Bis[tetra-n-butylammonium]Bis[(4-cyanophenyl)dithocarbimato]Nickel(II)","","- C48 H80 N6 Ni S4 -","- C48 H80 N6 Ni S4 -","- C48 H80 N6 Ni S4 -","1","0.5","AB1504","Steen B. Schougaard; Thomas Pittelkow; Frederik Krebs; Sine Larsen; Henning O. Sørensen; Daniel R. Greve; Thomas Bjørnholm","Bis(tetra-<i>n</i>-butylammonium) Bis[(4-cyanophenyl)dithiocarbimato(2‒)-<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1998","54","4","470","473","10.1107/S0108270197016971","","","0.71073","MoKα","","0.0465","0.0352","","0.0621","0.0607","","","","2.474","2.639","2.639","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007135","13.727","0.001","13.727","0.001","8.13","0.001","90","","90","","90","","1531.9","0.2","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2,3-diiodo-2-buten-1,4-diol","","- C4 H6 I2 O2 -","- C4 H6 I2 O2 -","- C32 H48 I16 O16 -","8","0.5","AB1505","Løiten, Marianne Sveaas; Bjørn Dalhus; Fjαertoft, Berit; Klaveness, Jo","<i>trans</i>-2,3-Diiodo-2-butene-1,4-diol","Acta Crystallographica Section C","1998","54","4","555","557","10.1107/S0108270197014406","","","0.71073","MoKα","","0.0315","0.0271","","0.0531","0.0522","","","","2.239","2.299","2.299","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007136","7.424","0.004","14.303","0.003","26.51","0.002","90","","90","","90","","2815","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","AB1510","Elerman, Yalc̨in; Elmali, Ayhan","2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section C","1998","54","4","529","531","10.1107/S0108270197013991","","","0.71069","MoKα","","0.0371","0.0338","","0.0902","0.0876","","","","1.083","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007137","10.8018","0.0009","12.5581","0.0009","10.9691","0.0009","90","","91.052","0.007","90","","1487.7","0.2","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 N2 O P2 -","- C6 H14 Cl4 N2 O P2 -","- C24 H56 Cl16 N8 O4 P8 -","4","1","AB1517","Hökelek, Tuncer; Kılıç, Zeynel; Dal, Hakan","<i>P</i>,<i>P</i>-Dichloro-<i>N</i>-(dichlorophosphinoyl)-<i>P</i>-(diisopropylamino)monophosphazene","Acta Crystallographica Section C","1998","54","4","523","525","10.1107/S0108270197016983","","","0.71073","MoKα","","","0.045","","","0.063","","","","","2.15","2.15","","","","","has coordinates","278320","2022-10-03","12:00:49",""
"2007138","10.446","0.001","11.045","0.001","11.316","0.001","64.24","0.01","79.2","0.01","85.35","0.01","1155","0.2","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","1,5,8,12-Tetrathiaspiro[6.6]tridecane","","- C9 H16 S4 -","- C9 H16 S4 -","- C36 H64 S16 -","4","2","AB1520","Barrot, Mireia; Fabrias, Gemma; Camps, Francisco; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar","1,5,8,12-Tetrathiaspiro[6.6]tridecane","Acta Crystallographica Section C","1998","54","4","533","534","10.1107/S0108270197015138","","","0.71069","MoKα","","0.0355","0.0294","","","","0.0876","","","","","","1.122","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007139","15.747","0.001","15.747","0.001","13.148","0.001","90","","90","","90","","3260.3","0.4","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H104 Cl6 Mn N4 -","- C68 H104 Cl6 Mn N4 -","- C136 H208 Cl12 Mn2 N8 -","2","0.25","BK1313","Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.","Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride","Acta Crystallographica Section C","1998","54","4","475","476","10.1107/S0108270197005842","","","0.71073","MoKα","","0.0466","0.035","","0.089","0.0842","","","","1.06","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007140","11.2065","0.0005","6.0273","0.0004","12.7077","0.0005","90","","105.1","0.03","90","","828.7","0.14","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","BK1345","Moreno-Fuquen, Rodolfo; Gambardella, Maria Teresa do Prado; Valderrama-N, Jaime","2:1 Complex of 3-Picoline <i>N</i>-Oxide and Hydroquinone","Acta Crystallographica Section C","1998","54","4","515","517","10.1107/S0108270197016260","","","0.71073","MoKα","","0.0481","0.04","","0.1374","0.123","","","","1.022","0.988","0.988","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007141","10.3139","0.0009","7.3105","0.0005","16.735","0.001","90","","90","","90","","1261.82","0.16","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","0.5","BK1347","Garcia, J. Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","4-Nitro-1-(trimethylsilylethynyl)benzene","Acta Crystallographica Section C","1998","54","4","489","491","10.1107/S0108270197012407","","","1.54184","CuKα","","","0.046","","","0.051","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007142","12.004","0.002","19.108","0.002","20.328","0.002","90","","90","","90","","4662.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ferrocenylbenzonitrile","3,6-Dimethoxy-2-[α-ferrocenyl-α-(2',5'-dimethoxy- phenyl)]methylbenzonitrile","","- C28 H27 Fe N O4 -","- C28 H27 Fe N O4 -","- C224 H216 Fe8 N8 O32 -","8","1","BK1350","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile","Acta Crystallographica Section C","1998","54","4","462","464","10.1107/S010827019701442X","","","0.71073","MoKα","","0.081","0.043","","0.102","0.086","","","","1.02","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007143","7.5011","0.0014","7.1875","0.0013","24.917","0.002","90","","92.9","0.02","90","","1341.7","0.4","243","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","BK1358","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; De Castro, Eustaquio Vinicius Ribeiro","1:1 Complex of 2-Aminobenzoic Acid and 3-Methyl-4-nitropyridine <i>N</i>-Oxide","Acta Crystallographica Section C","1998","54","4","517","519","10.1107/S0108270197016272","","","0.71073","MoKα","","0.0825","0.055","","0.1823","0.149","","","","1.064","1.04","1.04","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007146","13.775","0.006","13.775","0.006","30.533","0.005","90","","90","","90","","5794","4","291","2","291","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","bis(iodo)tetrakis{tris(dimethylamido)phosphineoxide}bismuth(III) pentaiodide","","- C24 H72 Bi I7 N12 O4 P4 -","- C24 H72 Bi I7 N12 O4 P4 -","- C96 H288 Bi4 I28 N48 O16 P16 -","4","0.25","BM1163","Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett","Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~]","Acta Crystallographica Section C","1998","54","4","476","479","10.1107/S0108270197015485","","","0.71073","MoKα","","0.0658","0.0305","","0.0765","0.0659","","","","1.001","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007147","11.0474","0.0011","15.6902","0.0012","15.093","0.0011","90","","104.974","0.002","90","","2527.3","0.4","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Cu N10 Ni2 O12 -","- C46 H60 Cu N10 Ni2 O12 -","- C92 H120 Cu2 N20 Ni4 O24 -","2","0.5","BM1190","Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Çakırer, Orhan","Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]bis(dimethylformamide)di(μ-nitrito)copper(II)dinickel(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1998","54","4","468","470","10.1107/S0108270197013218","","","0.71073","MoKα","","","0.033","","","0.04","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007148","22.711","0.006","15.498","0.005","14.642","0.004","90","0.02","117.97","0.02","90","0.02","4552","2","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N5 O4 -","- C26 H23 N5 O4 -","- C208 H184 N40 O32 -","8","1","CF1173","Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines","Acta Crystallographica Section C","1998","54","4","519","521","10.1107/S0108270197016491","","","0.71073","MoKα","","0.148","0.055","","","0.066","","","","","1.783","1.783","","","","","has coordinates,has Fobs","208362","2020-10-21","18:00:00",""
"2007149","12.985","0.001","14.036","0.002","13.314","0.003","90","0.2","102.7","0.3","90","0.3","2367","3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl N4 O2 -","- C27 H25 Cl N4 O2 -","- C108 H100 Cl4 N16 O8 -","4","1","CF1173","Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines","Acta Crystallographica Section C","1998","54","4","519","521","10.1107/S0108270197016491","","","0.71073","MoKα","","0.194","0.049","","","0.065","","","","","1.877","1.877","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2007150","8.2178","0.0008","13.345","0.001","9.7934","0.0009","90","","96.781","0.009","90","","1066.5","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-7,10-dihydro-7,8-benzocoumarin","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","CF1186","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1998","54","4","542","544","10.1107/S0108270197016508","","","0.71073","MoKα","","0.0843","0.0379","","0.1039","0.0902","","","","0.852","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007151","10.959","0.001","12.963","0.001","7.9905","0.0008","90","","106.081","0.009","90","","1090.73","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Methyl-7,10-dihydro-7,8-benzocoumarin-8,9-oxide","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","CF1186","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1998","54","4","542","544","10.1107/S0108270197016508","","","0.71073","MoKα","","0.0901","0.04","","0.105","0.0909","","","","0.828","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007152","4.901","0.002","6.246","0.002","7.748","0.003","85.86","0.02","73.2","0.03","73.44","0.03","217.62","0.15","173","","100","","","","","","","","","4","P -1","-P 1","2","pyrrolidone","Pyrrolidin-2-one (1-aza-2-cyclopentanone)","","- C4 H7 N O -","- C4 H7 N O -","- C8 H14 N2 O2 -","2","1","CF1205","Richard Goddard; Oliver Heinemann; Carl Krüger; Ildikó Magdó; Franz Mark; Kurt Schaffner","A Low-Temperature Phase of 2-Pyrrolidone","Acta Crystallographica Section C","1998","54","4","501","504","10.1107/S010827019701651X","","","0.71069","MoKα","","0.0761","0.0664","","0.2059","0.1946","","","","1.228","1.273","1.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007153","5.873","0.001","9.693","0.001","10.4561","0.0009","90","","104.07","0.01","90","","577.38","0.13","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C16 H12 N12 O16 -","4","1","CF1206","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.","Two New Structures of 5-Nitrouracil","Acta Crystallographica Section C","1998","54","4","547","550","10.1107/S0108270197016521","","","0.71069","MoKα","","0.0558","0.0363","","0.0534","0.0506","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007154","8.858","0.001","6.9619","0.0006","15.822","0.001","90","","95.823","0.008","90","","970.68","0.15","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","CF1206","Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.","Two New Structures of 5-Nitrouracil","Acta Crystallographica Section C","1998","54","4","547","550","10.1107/S0108270197016521","","","0.71069","MoKα","","0.035","0.0297","","0.0502","0.0492","","","","","2.132","2.132","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007155","7.808","0.002","7.056","0.002","11.09","0.003","90","","108.14","0.03","90","","580.6","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-thio-1,2,4-triazine","","- C4 H5 N3 S -","- C4 H5 N3 S -","- C16 H20 N12 S4 -","4","1","CF1207","Palmer, Michael H.; Parsons, Simon; Smith, Susan; Blake, Alexander J.; Guest, Martyn F.","3-Methylthio-1,2,4-triazine: a Comparison of Experimental and Theoretical Structures","Acta Crystallographica Section C","1998","54","4","550","553","10.1107/S0108270197016533","","","0.71073","MoKα","","0.0347","0.029","","0.0827","0.0777","","","","1.055","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007156","13.911","0.003","10.357","0.002","28.782","0.006","90","","102.87","0.02","90","","4042.6","1.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl10 -","- C16 H8 Cl10 -","- C128 H64 Cl80 -","8","1","CF1209","Wilson, Claire; Howard, Judith A. K.","Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer","Acta Crystallographica Section C","1998","54","4","544","547","10.1107/S0108270197016557","","","0.71073","MoKα","","0.1211","0.0459","","0.0735","0.058","","","","1.304","1.427","1.427","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007157","7.0543","0.0007","8.8125","0.0009","15.016","0.001","72.98","0.003","77.562","0.003","69.707","0.003","830.42","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 Cl4 -","- C20 H16 Cl4 -","- C40 H32 Cl8 -","2","1","CF1209","Wilson, Claire; Howard, Judith A. K.","Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer","Acta Crystallographica Section C","1998","54","4","544","547","10.1107/S0108270197016557","","","0.71073","MoKα","","0.0411","0.0388","","0.0992","0.0947","","","","1.118","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007158","30.15","0.01","6.644","0.002","12.685","0.007","90","","102.6","0.04","90","","2479.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MEPHENTERMINE HEMISULFATE","","","- C11 H20 N O3 S0.5 -","- C11 H20 N O3 S0.5 -","- C88 H160 N8 O24 S4 -","8","2","DE1069","Sengupta, Rakhi; Banerjee, Rahul; Dattagupta, J.K.","Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent","Acta Crystallographica Section C","1998","54","4","497","499","10.1107/S0108270197015461","","","1.5418","CuKα","","0.053","0.051","","0.162","0.16","","","","1.197","1.224","1.224","","","","","has coordinates","209422","2020-10-21","18:00:00",""
"2007159","11.253","0.001","13.033","0.001","17.563","0.002","90","","90","","90","","2575.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(1,10-Phenantholine)-copper(ii) tetrathionate","","- C24 H16 Cu N4 O6 S4 -","- C24 H16 Cu N4 O6 S4 -","- C96 H64 Cu4 N16 O24 S16 -","4","0.5","FG1333","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate","Acta Crystallographica Section C","1998","54","4","464","468","10.1107/S0108270197016284","","","0.71073","MoKα","","0.1011","0.0556","","0.1803","0.1422","","","","0.951","1.001","1.001","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007160","11.232","0.004","13.569","0.006","14.654","0.006","99.67","0.01","99.44","0.01","109.75","0.01","2012.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-Phenantholine)-copper(ii) tetrathionate, pentahydrate","","- C36 H34 Cu N6 O11 S4 -","- C36 H34 Cu N6 O11 S4 -","- C72 H68 Cu2 N12 O22 S8 -","2","1","FG1333","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate","Acta Crystallographica Section C","1998","54","4","464","468","10.1107/S0108270197016284","","","0.71073","MoKα","","0.1168","0.0577","","0.1576","0.1293","","","","0.93","1.035","1.035","","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2007161","31.877","0.007","31.877","0.007","9.614","0.001","90","","90","","120","","8460","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16.33 H25 O4.17 Ru -","- C16.3333 H24 O4.16667 Ru -","- C294 H432 O75 Ru18 -","18","1","FG1341","Meléndez, Enrique; Ilarraza, Raimundo; Yap, Glenn P.A.; Rheingold, Arnold L.","Bis(acetylacetonato-<i>O</i>,<i>O</i>')(η^4^-<i>trans</i>-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate","Acta Crystallographica Section C","1998","54","4","449","451","10.1107/S0108270197016958","","","0.71073","MoKα","","0.1017","0.0514","","0.1261","0.101","","","","1.018","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007162","12.802","0.003","11.181","0.003","20.281","0.002","90","","90","","90","","2903","1.1","294","","294","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H21 F O -","- C18 H21 F O -","- C144 H168 F8 O8 -","8","2","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.042","","","","0.125","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007163","11.617","0.002","6.643","0.006","20.868","0.002","90","","103.27","0.01","90","","1567.4","1.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","1.5418","CuKα","","","0.057","","","","0.171","","","","","","1.673","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007164","12.021","0.003","20.149","0.003","6.655","0.002","90","","90","","90","","1611.9","0.7","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","0.7107","MoKα","","","0.048","","","","0.153","","","","","","1.45","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007165","12.987","0.003","18.439","0.005","7.281","0.002","101.23","0.02","98.32","0.02","91.12","0.02","1690.1","0.8","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","0.7107","MoKα","","","0.079","","","","0.248","","","","","","2.02","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007166","7.983","0.004","6.054","0.003","22.595","0.001","90","","95.74","0.01","90","","1086.5","0.8","253","","253","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","FG1373","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto","Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex)","Acta Crystallographica Section C","1998","54","4","513","515","10.1107/S0108270197013474","","","0.71073","MoKα","","0.0653","0.0382","","0.1289","0.0995","","","","1.003","0.947","0.947","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007167","14.381","0.003","7.697","0.003","14.2869","0.0012","90","","100.801","0.01","90","","1553.4","0.7","294","","294","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H18 Mo N4 O4 -","- C12 H18 Mo N4 O4 -","- C48 H72 Mo4 N16 O16 -","4","1","FG1386","Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James","A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]","Acta Crystallographica Section C","1998","54","4","473","475","10.1107/S0108270197015898","","","0.7107","MoKα","","","0.027","","","","0.053","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007168","23.106","0.013","16.445","0.012","7.985","0.007","90","","90","","90","","3034","4","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N S -","- C18 H17 N S -","- C144 H136 N8 S8 -","8","1","FG1388","Fu, Tai Y.; Scheffer, John R.; Trotter, James","3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione","Acta Crystallographica Section C","1998","54","4","496","497","10.1107/S0108270197015904","","","0.7107","MoKα","","","0.063","","","","0.206","","","","","","1.225","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007169","36.149","0.011","5.471","0.001","18.673","0.007","90","","109.47","0.03","90","","3481.8","1.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3',4""-Didecyl-2,2';5',2"";5"",2""'-quaterthiophene","","- C36 H50 S4 -","- C36 H50 S4 -","- C144 H200 S16 -","4","0.5","FG1393","Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario","3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene","Acta Crystallographica Section C","1998","54","4","553","555","10.1107/S0108270197016302","","","1.5418","CuKα","","0.0623","0.0477","","0.1404","","0.1326","","","0.963","","","1.076","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007170","12.558","0.004","5.4771","0.0015","23.207","0.005","90","","90","","90","","1596.2","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Di(4-nitrobenzenesulfonyl)amine Monohydrate","","- C12 H11 N3 O9 S2 -","- C12 H11 N3 O9 S2 -","- C48 H44 N12 O36 S8 -","4","1","FG1400","Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate","Acta Crystallographica Section C","1998","54","4","504","507","10.1107/S0108270197016314","","","0.71073","MoKα","","0.0387","0.0323","","0.074","0.0724","","","","1.063","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007171","17.108","0.002","10.45","0.002","15.188","0.003","90","","93.33","0.05","90","","2710.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N4 O4 S -","- C12 H10 N4 O4 S -","- C96 H80 N32 O32 S8 -","8","1","FR1057","Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan","Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone","Acta Crystallographica Section C","1998","54","4","527","529","10.1107/S0108270197015928","","","0.7107","MoKα","","0.0459","0.0347","","0.0771","0.073","","","","0.973","1.013","1.013","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007172","14.3132","0.001","10.5769","0.0015","17.9455","0.0013","90","","107.351","0.006","90","","2593.1","0.5","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-5-dimethylamino-1,1,t-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0484","0.0339","","0.0905","0.0871","","","","1.063","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007173","16.246","0.003","10.8936","0.0008","20.173","0.003","90","","134.282","0.009","90","","2555.9","0.7","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-5-dimethylamino-1,1,c-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0656","0.048","","0.1343","0.1252","","","","0.965","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007174","12.156","0.002","14.537","0.0011","14.499","0.0014","90","","100.352","0.011","90","","2520.4","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","c-2-dimethylamino-r-1,1,5-trimethyl-6-(4-methyl-benzoyl)-t-7a-p-tolyl- 1,2,5,7a-tetrahydro-pyrrolizine-3,3-dicarbonitrile","","- C29 H32 N4 O -","- C29 H32 N4 O -","- C116 H128 N16 O4 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0556","0.0394","","0.1071","0.1016","","","","1.041","1.159","1.159","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007175","9.2212","0.0004","18.0246","0.001","17.4099","0.0008","90","","101.016","0.005","90","","2840.4","0.2","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril","","- C34 H39 N5 -","- C34 H39 N5 -","- C136 H156 N20 -","4","1","JZ1241","Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen","Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts","Acta Crystallographica Section C","1998","54","4","509","513","10.1107/S010827019701439X","","","0.71069","MoKα","","0.0796","0.0344","","0.0551","0.0503","","","","0.713","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007176","7.08","0.003","6.8203","0.0005","29.473","0.004","90","0.008","90.32","0.03","90","0.02","1423.2","0.6","208","2","208","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Dipyridinomethane cis-Dibromotetrafluoroosmate(IV)","","- C11 H12 Br2 F4 N2 Os -","- C11 H12 Br2 F4 N2 Os -","- C44 H48 Br8 F16 N8 Os4 -","4","1","JZ1245","Höhling, Matthias; Preetz, Wilhelm","Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~]","Acta Crystallographica Section C","1998","54","4","481","483","10.1107/S0108270197017174","","","0.71069","MoKα","","0.043","0.0261","","","0.0616","0.0734","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007177","9.7824","0.0007","10.583","0.001","16.344","0.001","90","","90","","90","","1692","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-2-oxoethyl 2-methoxymethylpyrrolidine-1- dithiocarboxylate","","- C15 H18 Br N O2 S2 -","- C15 H18 Br N O2 S2 -","- C60 H72 Br4 N4 O8 S8 -","4","1","JZ1254","Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre","(<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate","Acta Crystallographica Section C","1998","54","4","507","509","10.1107/S0108270197016570","","","0.71073","MoKα","","0.125","0.0623","","0.1326","0.0941","","","","1.242","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007178","7.43","0.004","18.453","0.002","7.686","0.003","90","","96.32","0.02","90","","1047.4","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2H-1-benzopyran-2-[cyano(methylthio)methylene]","","- C12 H9 N O S -","- C12 H9 N O S -","- C48 H36 N4 O4 S4 -","4","1","JZ1258","Pochat, Francis; L'Haridon, Paul","α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile","Acta Crystallographica Section C","1998","54","4","531","533","10.1107/S0108270197015874","","","0.7107","MoKα","","","0.058","","","","0.066","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007179","12.1747","0.0016","12.1747","0.0016","13.791","0.002","90","","90","","90","","2044.1","0.5","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II)","","- C18 H27 Cu N3 O3 S -","- C18 H27 Cu N3 O3 S -","- C72 H108 Cu4 N12 O12 S4 -","4","1","JZ1262","Warda, Salam A.","An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","4","460","462","10.1107/S0108270197016582","","","0.71073","MoKα","","0.0545","0.035","","","","0.0803","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007180","7.949","0.001","13.383","0.003","14.34","0.004","104.06","0.02","102.15","0.02","95.93","0.02","1427.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Di(methoxyethyl)cyclopentadienyl]-trichlorozirconium(IV)","","- C11 H17 Cl3 O2 Zr -","- C11 H17 Cl3 O2 Zr -","- C44 H68 Cl12 O8 Zr4 -","4","2","JZ1264","van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland","[1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV)","Acta Crystallographica Section C","1998","54","4","458","460","10.1107/S0108270197016594","","","0.71073","MoKα","","0.0578","0.0385","","0.1648","0.0978","","","","1.189","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007181","8.546","0.001","17.865","0.002","15.044","0.002","90","","98.14","0.02","90","","2273.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","","","","","- C23 H23 N O8 S -","- C23 H23 N O8 S -","- C92 H92 N4 O32 S4 -","4","1","LN1030","Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou","<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate","Acta Crystallographica Section C","1998","54","4","525","527","10.1107/S0108270197015631","","","0.71073","MoKα","","0.0451","0.043","","0.088","0.0876","","","","1.003","1.194","1.194","","","","","has coordinates","281832","2023-03-13","07:44:32",""
"2007182","7.471","0.001","7.735","0.001","12.33","0.001","85.043","0.007","73.879","0.008","82.665","0.007","677.94","0.14","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C28 H24 Cl2 N2 O4 S2 -","2","1","MU1319","Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay","<i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide","Acta Crystallographica Section C","1998","54","4","488","489","10.1107/S010827019701545X","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007183","10.317","0.002","5.864","0.004","24.582","0.001","90","","100.15","0.02","90","","1463.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2-(napthalenyl)]-3-(3-nitrophenyl)-2-propen-1-one","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","MU1335","Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.","1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one","Acta Crystallographica Section C","1998","54","4","541","542","10.1107/S0108270197015953","","","1.5418","CuKα","","0.029","0.028","","0.118","0.097","","","","1.079","0.925","0.925","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007184","7.596","0.001","15.53","0.002","6.966","0.001","90","","90","","90","","821.75","0.19","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis (2-chloroimidazolium) hexachloroplatinate(IV)","","- C6 H8 Cl8 N4 Pt -","- C6 H8 Cl8 N4 Pt -","- C12 H16 Cl16 N8 Pt2 -","2","0.25","MU1347","Giovanni Valle; Renato Ettorre","Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~]","Acta Crystallographica Section C","1998","54","4","448","449","10.1107/S0108270197015965","","","0.7107","MoKα","","0.048","0.041","","0.106","0.101","","","","1.283","1.329","1.329","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007185","9.7495","0.0009","13.0024","0.0014","16.358","0.002","90","","94.096","0.008","90","","2068.4","0.4","293","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,7-Dimethyl-2,3-bis(2-pyridyl)-quinoxaline-N,N')-dichloro-palladium(II) hydrate","","- C20 H18 Cl2 N4 O Pd -","- C20 H16 Cl2 N4 O Pd -","- C80 H64 Cl8 N16 O4 Pd4 -","4","1","MU1352","Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe","Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate","Acta Crystallographica Section C","1998","54","4","485","487","10.1107/S0108270198000511","","","0.71073","MoKα","","0.0357","0.0285","","0.0879","0.0862","","","","1.05","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007186","9.337","0.008","7.597","0.004","9.321","0.006","90","","104.46","0.07","90","","640.2","0.8","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.038","0.027","","0.069","0.065","","","","1.104","1.131","1.131","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007187","9.359","0.007","7.621","0.003","9.367","0.006","90","","104.31","0.06","90","","647.4","0.7","240","1","240","1","","","","","","","","5","P 1 21 1","P 2yb","4","","L-histidinol phosphate tetrahydrate","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","MU1353","Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo","<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K","Acta Crystallographica Section C","1998","54","4","559","561","10.1107/S0108270197016776","","","0.71073","MoKα","","0.0579","0.0311","","0.0865","0.0778","","","","1.048","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007188","12.686","0.001","12.686","0.001","9.314","0.002","90","","90","","120","","1298.1","0.3","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)copper(I)Iodide","","- C15 H36 Cu I N6 S3 -","- C15 H36 Cu I N6 S3 -","- C30 H72 Cu2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.037","0.03","","0.081","0.077","","","","0.994","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007189","12.792","0.001","12.792","0.001","9.335","0.001","90","","90","","120","","1322.9","0.2","293","2","293","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Tris(N,N'-diethylthiourea)silver(I) Iodide","","- C15 H36 Ag I N6 S3 -","- C15 H36 Ag I N6 S3 -","- C30 H72 Ag2 I2 N12 S6 -","2","0.333333","MU1356","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit","Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)","Acta Crystallographica Section C","1998","54","4","453","456","10.1107/S0108270197016764","","","0.71073","MoKα","","0.045","0.027","","0.07","0.065","","","","0.901","1.038","1.038","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007190","25.049","0.004","9.043","0.001","15.956","0.002","90","","102.2","0.01","90","","3532.7","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Co N12 -","- C15 H13 Co N12 -","- C120 H104 Co8 N96 -","8","1","MU1361","Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang","<i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","4","479","481","10.1107/S0108270197016375","","","0.71073","MoKα","","0.0547","0.0351","","0.041","0.0357","","","","1.029","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007191","12.615","0.002","9.514","0.001","13.721","0.001","90","","116.58","0.01","90","","1472.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-(Propionato)(di-2-pyridylamine)-nitrato-copper(II)","","- C13 H14 Cu N4 O5 -","- C13 H14 Cu N4 O5 -","- C52 H56 Cu4 N16 O20 -","4","1","MU1370","Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun","<i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","4","451","453","10.1107/S0108270197016405","","","0.71073","MoKα","","0.0493","0.0323","","0.0934","0.0876","","","","0.985","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007192","5.4759","0.0007","7.4682","0.0006","50.997","0.005","90","","90","","90","","2085.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl O3 -","- C25 H27 Cl O3 -","- C100 H108 Cl4 O12 -","4","1","NA1312","Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene","Acta Crystallographica Section C","1998","54","4","521","523","10.1107/S010827019701737X","","","1.54178","CuKα","","0.8","0.06","","0.175","0.156","","","","1.044","1.07","1.07","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007193","9.345","0.002","14.683","0.004","11.244","0.003","90","","93.07","0.02","90","","1540.6","0.7","292","","292","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Magnesium sulfate tetraurea monohydrate","","- C4 H18 Mg N8 O9 S -","- C4 H18 Mg N8 O9 S -","- C16 H72 Mg4 N32 O36 S4 -","4","1","NA1321","Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova","Magnesium Sulfate Tetraurea Monohydrate","Acta Crystallographica Section C","1998","54","4","456","458","10.1107/S0108270197012912","","","0.71073","MoKα","","","0.03","","","","0.047","","","","","","0.966","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2007194","12.643","0.001","12.643","0.001","12.643","0.001","90","","90","","90","","2020.9","0.3","297","2","297","2","","","","","","","","3","P m -3","-P 2 2 3","200","α-(AlMnSi)","α-(AlMnSi)","","- Al4 Mn1.01 Si0.74 -","- Al4.0125 Mn Si0.7375 -","- Al96.3 Mn24 Si17.7 -","24","1","OH1107","Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji","Re-Refinement of α-(AlMnSi)","Acta Crystallographica Section C","1998","54","4","445","447","10.1107/S0108270197015989","","","0.71069","MoKα","","0.066","0.031","","0.062","0.057","","","","0.959","1.09","1.09","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007195","10.753","0.002","18.955","0.004","10.326","0.002","93.87","0.02","117.92","0.01","100.9","0.02","1796.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,6-di(triphenylphosphine)-closo-decaborane","","- C36 H38 B10 P2 -","- C36 H38 B10 P2 -","- C72 H76 B20 P4 -","2","1","QA0034","Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng","A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~","Acta Crystallographica Section C","1998","54","4","IUC9800008","","10.1107/S0108270198099764","","","0.71069","MoKα","","","0.0649","","","","0.1799","","","","","","0.984","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007196","12.1045","0.001","21.6675","0.0012","21.1669","0.0014","90","","90","","90","","5551.5","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","[tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I)","","- C30 H66 Cu4 I6 K2 N2 O12 -","- C30 H66 Cu4 I5 K2 N2 O12 -","- C120 H264 Cu16 I20 K8 N8 O48 -","4","0.5","QB0033","Mague, Joel T.","Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)","Acta Crystallographica Section C","1998","54","4","IUC9800010","","10.1107/S0108270198099776","","","0.71073","MoKα","","0.1039","0.0311","","0.0931","","0.0723","","","1.012","","","1.102","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007197","8.543","0.003","12.76","0.004","7.8","0.003","98.39","0.03","114.84","0.03","88.36","0.03","762.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 F7 N O -","- C17 H10 F7 N O -","- C34 H20 F14 N2 O2 -","2","1","QB0034","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one","Acta Crystallographica Section C","1998","54","4","IUC9800009","","10.1107/S0108270198099752","","","0.7107","MoKα","","0.193","0.0587","","0.1861","0.1354","","","","0.978","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007198","7.533","0.002","10.306","0.003","20.139","0.005","90","","95.24","0.02","90","","1557","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F7 N O -","- C17 H10 F7 N O -","- C68 H40 F28 N4 O4 -","4","1","QB0034","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one","Acta Crystallographica Section C","1998","54","4","IUC9800009","","10.1107/S0108270198099752","","","0.7107","MoKα","","0.0796","0.0379","","0.1268","0.0969","","","","1.025","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007199","10.458","0.002","10.925","0.002","12.097","0.002","86.17","0.03","81.83","0.03","76.31","0.03","1328.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 I N8 Sb -","- C32 H16 I N8 Sb -","- C64 H32 I2 N16 Sb2 -","2","1","SK1152","Kubiak, Ryszard; Razik, Mariola","(Phthalocyaninato)antimony Iodide","Acta Crystallographica Section C","1998","54","4","483","485","10.1107/S0108270197016867","","","0.71073","MoKα","","0.0862","0.0387","","0.1001","0.0859","","","","0.985","1.081","1.081","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007200","14.266","0.002","13.528","0.001","11.747","0.001","90","","90","","90","","2267.1","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9-(4-DIMETHYLAMINOPHENYL) 3,4,6,9,10-HEXAHYDRO 2,2,8,8-TETRAMETHYL 1,8(2H,5H)-ACRIDINE DIONE","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","VJ1060","V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan","9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","4","557","559","10.1107/S0108270197016727","","","0.71073","MoKα","","0.1029","0.0565","","0.1507","0.1261","","","","1.032","1.126","1.126","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007201","5.4376","0.0005","7.2577","0.0008","22.773","0.002","90","","90","","90","","898.72","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-PHENYLGLYCINE HYDROCHLORIDE","D-α-Aminophenyl acetic acid hydrochloride","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","VJ1074","Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana","<small>D</small>-Phenylglycine Hydrochloride","Acta Crystallographica Section C","1998","54","4","499","501","10.1107/S0108270197014674","","","0.71073","MoKα","","0.045","0.035","","0.127","0.106","","","","0.768","0.747","0.747","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007202","9.8899","0.0013","10.1168","0.001","10.5673","0.0009","86.702","0.009","88.222","0.011","72.206","0.009","1004.95","0.19","293","2","","","","","","","","","","4","P -1","-P 1","2","","8-hydroxyquinoline salicylate-salicylic acid complex","","- C23 H19 N O7 -","- C23 H19 N O7 -","- C46 H38 N2 O14 -","2","1","VJ1075","Jebamony, Justin Robert; Thomas Muthiah, Packianathan","8-Hydroxyquinolinium‒Salicylate‒Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~","Acta Crystallographica Section C","1998","54","4","539","540","10.1107/S0108270197013930","","","0.71069","MoKα","","","0.0313","","","","0.009","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007203","11.188","0.004","13.672","0.009","27.352","0.002","90","","90","","90","","4184","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C224 H160 N16 O8 -","8","1","AB1463","Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian","1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one","Acta Crystallographica Section C","1998","54","5","629","630","10.1107/S0108270197017411","","","1.5418","CuKα","","0.0714","0.059","","0.1735","0.1634","","","","1.103","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007204","9.346","0.001","14.441","0.001","24.524","0.002","90","0.01","97.13","0.01","94.55","0.01","3273.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1H-[1,3]oxazino[3,2-a] [1,5]benzodiazepin-1-one","","- C43 H32 N2 O3 -","- C43 H32 N2 O3 -","- C172 H128 N8 O12 -","4","2","AB1494","Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.","7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one","Acta Crystallographica Section C","1998","54","5","666","668","10.1107/S010827019701740X","","","0.71073","MoKα","","0.2057","0.0451","","0.179","0.113","","","","0.973","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007205","7.0939","0.0006","9.2625","0.0008","11.657","0.001","90","","97.672","0.001","90","","759.09","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Acetaminophen","4-acetaminophenol","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","AV1018","Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard","The Monoclinic Form of Acetaminophen at 150K","Acta Crystallographica Section C","1998","54","5","653","655","10.1107/S0108270197018386","","","0.71073","MoKα","","0.0671","0.0555","","0.1119","0.1069","","","","1.185","1.209","1.209","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007206","26.831","0.002","15.2944","0.0007","24.952","0.001","90","","94","0.01","90","","10214.5","1","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cl12 O2 -","- C18 H12 Cl12 O2 -","- C288 H192 Cl192 O32 -","16","2","BK1349","Garcia, J. Gabriel; Fronczek, Frank R.","<i>endo</i>-<i>endo</i>-<i>anti</i> Diels‒Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1998","54","5","645","647","10.1107/S0108270197014005","","","0.71073","MoKα","","","0.057","","","0.039","","","","","1.243","1.243","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2007207","9.295","0.001","9.295","0.001","17.689","0.003","90","","90","","120","","1323.5","0.3","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Tri-aquo-tris-(oxydiacetate) (europium(III) lanthanum(III))-pentahydrate","","- C12 H28 Eu La O23 -","- C12 H12 Eu La O22.98 -","- C24 H24 Eu2 La2 O45.96 -","2","0.166667","BK1364","Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille","Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate","Acta Crystallographica Section C","1998","54","5","591","594","10.1107/S0108270197017356","","","0.71073","MoKα","","0.0267","0.023","","0.065","0.0632","","","","1.09","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007208","10.309","0.002","11.451","0.002","13.361","0.003","96.706","0.002","93.109","0.003","105.188","0.002","1505.8","0.5","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 Ni O6 -","- C32 H30 N6 Ni O6 -","- C64 H60 N12 Ni2 O12 -","2","1","BM1157","Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem","{2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 ‒)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","5","623","625","10.1107/S0108270197016545","","","0.71069","MoKα","","","0.042","","","0.047","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007209","9.999","0.001","13.867","0.002","8.911","0.004","90.81","0.02","91.18","0.02","104.91","0.01","1193.5","0.6","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H35 N7 Ni S2 -","- C18 H35 N7 Ni S2 -","- C36 H70 N14 Ni2 S4 -","2","1","BM1168","Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan","Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes","Acta Crystallographica Section C","1998","54","5","627","628","10.1107/S0108270197017368","","","0.71069","MoKα","","0.1058","0.0583","","0.1073","0.0936","","","","1.27","1.438","1.438","","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2007210","13.436","0.002","14.584","0.004","14.327","0.003","90","","104.891","0.015","90","","2713.1","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin","","- C58 H70 N4 Si2 -","- C58 H70 N4 Si2 -","- C116 H140 N8 Si4 -","2","0.5","BM1176","Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L.","5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin","Acta Crystallographica Section C","1998","54","5","662","664","10.1107/S0108270197017162","","","1.54184","CuKα","","0.0466","0.0409","","","0.1155","0.1198","","","","","","1.055","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007211","19.639","0.003","13.143","0.002","15.1992","0.0014","90","","101.845","0.013","90","","3839.6","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachloro-bis[3-(2-pyridyl)pyrazolato]-bis(N,N'-dimethyformamide) diindium(III) bis(N,N'-dimethyformamide) solvate","","- C28 H40 Cl4 In2 N10 O4 -","- C28 H40 Cl4 In2 N10 O4 -","- C112 H160 Cl16 In8 N40 O16 -","4","0.5","BM1206","Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.","A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands","Acta Crystallographica Section C","1998","54","5","601","603","10.1107/S0108270197019185","","","0.71073","MoKα","","0.0428","0.0275","","0.0696","0.0643","","","","1.029","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007212","8.9913","0.0005","13.1001","0.001","16.6041","0.001","90","","90","","90","","1955.7","0.2","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deoxy-3epiryanodol","","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.0313","0.0304","","0.0842","0.0832","","","","1.052","1.059","1.059","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007213","8.914","0.0005","18.1678","0.0013","25.326","0.002","90","","90","","90","","4101.5","0.5","293","2","293","2","","","","","","","","3","I 2 2 2","I 2 2","23","2,3-dideoxy-2,3-dihydroryanodol","","","- C20 H35 O7.5 -","- C20 H34 O7.429 -","- C160 H272 O59.432 -","8","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.043","0.039","","0.108","0.1039","","","","1.024","1.035","1.035","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007214","9.7509","0.0005","10.3005","0.0008","19.5609","0.0013","90","","101.937","0.005","90","","1922.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H56 O12 -","- C40 H56 O12 -","- C80 H112 O24 -","2","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","Molybdenum","","0.0549","0.0379","","0.0939","0.0829","","","","1.036","1.082","1.082","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007215","10.321","0.003","13.917","0.005","29.196","0.004","90","","90","","90","","4194","2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cinnzeylanol","","","- C40 H74.3 O19.15 -","- C40 H64 O19.154 -","- C160 H256 O76.616 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","MolybdenumKα","","0.0855","0.0617","","0.1519","0.14","","","","1.038","1.143","1.143","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007216","9.0121","0.001","18.08","0.004","25.476","0.003","90","","90","","90","","4151","1.1","293","","293","","","","","","","","","3","P 2 21 21","P 2bc 2","18","2-deoxyryanodol","","","- C20 H34.5 O8.25 -","- C20 H34.5 O8.125 -","- C160 H276 O65 -","8","2","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CopperKα","","0.0611","0.0553","","0.1585","0.1509","","","","1.041","1.075","1.075","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007217","12.178","0.003","13.885","0.003","7.143","0.003","90","","90","","90","","1207.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diaquacobalt Tetracyanonickelate Tetrahydrate","","- C4 H12 Co N4 Ni O6 -","- C4 H12 Co N4 Ni O6 -","- C16 H48 Co4 N16 Ni4 O24 -","4","0.5","BS1042","Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J.","Diaquacobalt Tetracyanonickelate Tetrahydrate","Acta Crystallographica Section C","1998","54","5","565","567","10.1107/S0108270197018003","","","0.71073","MoKα","","0.0463","0.0362","","0.1069","0.1028","","","","1.061","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007218","6.775","0.005","11.146","0.003","7.055","0.004","90","","111.72","0.06","90","","494.9","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethyl-2,2'-bipyridyl","6,6'-dimethyl-2,2'-bipyridyl","","- C12 H12 N2 -","- C12 H12 N2 -","- C24 H24 N4 -","2","0.5","CF1167","Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D.","6,6'-Dimethyl-2,2'-bipyridyl","Acta Crystallographica Section C","1998","54","5","661","662","10.1107/S0108270197019872","","","0.71069","MoKα","","0.058","0.051","","0.135","0.132","","","","1.065","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007219","6.704","0.001","10.156","0.002","13.321","0.002","91.09","0.02","95.49","0.02","108.24","0.02","856.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C44 H48 N4 O2 -","2","1","CF1201","Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard","4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine","Acta Crystallographica Section C","1998","54","5","670","672","10.1107/S0108270197017447","","","0.71069","MoKα","","0.0444","0.0441","","0.0888","0.0887","","","","1.011","1.069","1.069","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007220","17.765","0.001","26.708","0.002","7.6153","0.0009","90","","99.46","0.01","90","","3564.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Fe K2 N6 O2.5 -","- C14 H13 Fe K2 N6 O2.5 -","- C112 H104 Fe8 K16 N48 O20 -","8","2","CF1210","Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G.","Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O","Acta Crystallographica Section C","1998","54","5","603","606","10.1107/S0108270197018039","","","0.71073","MoKα","","0.086","0.045","","0.11","0.093","","","","1.049","1.121","1.121","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007221","13.714","0.004","10.159","0.003","14.006","0.002","90","","118.1","0.02","90","","1721.3","0.8","150","2","150","2","","","","","","","","4","P 1 a 1","P -2ya","7","","dibromotriphenylantimony(V)","","- C18 H15 Br2 Sb -","- C18 H15 Br2 Sb -","- C72 H60 Br8 Sb4 -","4","2","CF1211","Webster, Michael","Dibromotriphenylantimony(V), a Second Polymorph","Acta Crystallographica Section C","1998","54","5","570","572","10.1107/S0108270197018040","","","0.71069","MoKα","","0.088","0.051","","","","0.148","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007222","14.435","0.002","18.025","0.002","8.5494","0.0009","90","0.01","90","0.01","90","0.01","2224.5","0.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Adenosine 5'-carboxylic acid","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C80 H88 N40 O40 -","8","2","DE1070","G. Sreekanta Padiyar; T. P. Seshadri","Adenosine-5'-carboxylic Acid","Acta Crystallographica Section C","1998","54","5","647","649","10.1107/S0108270197017678","","","0.71067","MoKα","","0.07","0.0379","","0.1124","0.0975","","","","1.023","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007223","13.102","0.003","11.57","0.002","19.345","0.003","90","","101.126","0.012","90","","2877.4","0.9","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 D6 N2 O19 P2 W6 -","- C52 H40 D6 N2 O19 P2 W6 -","- C104 H80 D12 N4 O38 P4 W12 -","2","0.5","FG1378","Parvez, Masood; Boorman, P. Michael; Langdon, Naomi","Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","5","608","609","10.1107/S0108270197016946","","","0.71069","MoKα","","0.122","0.035","","0.028","0.022","","","","1.22","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007224","11.598","0.001","10.959","0.001","12.148","0.001","90","0.01","117.41","0.01","90","0.01","1370.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Crystal structures of three diphenylsulphones","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0399","0.037","","0.113","0.1079","","","","0.613","0.611","0.611","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007225","20.339","0.007","11.024","0.004","15.22","0.007","90","","126.8","0.02","90","","2733","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Crystal structures of three diphenylsulphones","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C120 H128 O16 S8 -","8","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0508","0.045","","0.133","0.1246","","","","0.921","0.924","0.924","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007226","12.36","0.005","8.246","0.004","11.615","0.007","90","","103.74","0.03","90","","1149.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Crystal structures of three diphenylsulphones","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","FR1058","Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.","Three Diphenyl Sulfones","Acta Crystallographica Section C","1998","54","5","630","633","10.1107/S0108270197016831","","","1.54178","CuKα","","0.0585","0.0568","","0.1623","0.1602","","","","1.186","1.204","1.204","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007227","6.1119","0.0012","11.047","0.002","6.7488","0.0013","90","","101.23","0.03","90","","446.94","0.15","208","2","208","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 O3 W -","- C9 H6 O3 W -","- C18 H12 O6 W2 -","2","0.5","FR1065","Oh, Jane M.; Geib, Steven J.; Cooper, N. John","The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]","Acta Crystallographica Section C","1998","54","5","581","583","10.1107/S0108270197009955","","","0.71073","MoKα","","0.0283","0.0257","","0.0738","0.0713","","","","1.259","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007228","13.398","0.003","13.988","0.003","13.674","0.003","90","","104.24","0.02","90","","2483.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","zinc(II)tepa bisperchlorate","","","- C21 H24 Cl2 N4 O8 Zn -","- C21 H24 Cl2 N4 O8 Zn -","- C84 H96 Cl8 N16 O32 Zn4 -","4","1","FR1069","Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary","A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine","Acta Crystallographica Section C","1998","54","5","600","601","10.1107/S0108270197017733","","","1.54178","CuKα","","0.0862","0.059","","0.184","0.1505","","","","1.142","1.086","1.086","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007229","6.7611","0.0011","16.889","0.003","7.7713","0.0013","90","","92.44","0.02","90","","886.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5-dichloropyridinium chloride","","- C5 H7 Cl3 N2 O -","- C5 H7 Cl3 N2 O -","- C20 H28 Cl12 N8 O4 -","4","1","FR1087","Anagnostis, Jason; Turnbull, Mark M.","2-Amino-3,5-dichloropyridinium Chloride Monohydrate","Acta Crystallographica Section C","1998","54","5","681","683","10.1107/S0108270197017344","","","0.71073","MoKα","","0.0365","0.0281","","0.0714","0.0692","","","","0.958","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007230","10.855","0.001","16.045","0.002","10.516","0.002","90","","90","","90","","1831.6","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H33 Cl Si -","- C18 H33 Cl Si -","- C72 H132 Cl4 Si4 -","4","0.5","FR1098","Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R.","Chlorotricyclohexylsilane, C~18~H~33~ClSi","Acta Crystallographica Section C","1998","54","5","694","695","10.1107/S0108270197017745","","","0.71073","MoKα","","0.048","0.043","","0.077","0.073","","","","1.43","1.47","1.47","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007231","19.037","0.006","9.548","0.003","12.089","0.004","90","","90","","90","","2197.4","1.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","FULGID-1","2,3-diphenylbenzylidenesuccinic anhydride","","- C30 H20 O3 -","- C30 H20 O3 -","- C120 H80 O12 -","4","0.5","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71069","MoKα","","0.1608","0.0868","","0.313","0.1742","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007232","11.939","0.003","10.251","0.003","8.731","0.002","100.45","0.02","100.32","0.02","67.65","0.02","964.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","FULGID-2","2-fluorenylidene,3-(adamantylidene)succinic anhydride","","- C27 H22 O3 -","- C27 H22 O3 -","- C54 H44 O6 -","2","1","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71069","MoKα","","0.1505","0.0783","","0.2773","0.1725","","","","0.238","0.228","0.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007233","10.2498","0.001","12.586","0.003","8.189","0.004","96.51","","87.9","","93.5","","1047.2","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","FULGID-3","2-fluorenylidene,3-(3,4,5-trimethoxybenzylidene) succinic anhydride","","- C27 H20 O6 -","- C27 H20 O6 -","- C54 H40 O12 -","2","1","HA1200","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)","Acta Crystallographica Section C","1998","54","5","683","687","10.1107/S0108270197018441","","","0.71093","MoKα","","0.1268","0.0886","","0.2587","0.2019","","","","0.394","0.41","0.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007234","21.2245","0.0011","21.2245","0.0011","21.2245","0.0011","90","","90","","90","","9561.2","0.9","250","2","250","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Disodium bis(methyl-α-D-mannopyranosidato(3-)) 5/3-bismutate(III) hydroxide dodecahydrate","","- C14 H47 Bi1.6667 Na2 O25 -","- C14 H22.6667 Bi1.66667 Na2 O25.0467 -","- C168 H272 Bi20 Na24 O300.56 -","12","1","JZ1224","Klüfers, Peter; Mayer, Peter","Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex","Acta Crystallographica Section C","1998","54","5","583","586","10.1107/S0108270197011050","","","0.71073","MoKa","","0.026","0.022","","0.043","0.042","","","","0.983","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007235","8.9033","0.0008","6.3","0.003","10.717","0.002","90","","102.614","0.013","90","","586.6","0.3","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","β-Sodium succinate hexahydrate","","- C4 H16 Na2 O10 -","- C4 H16 Na2 O10 -","- C8 H32 Na4 O20 -","2","0.5","JZ1231","Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía","A New Phase of Sodium Succinate Hexahydrate","Acta Crystallographica Section C","1998","54","5","578","580","10.1107/S0108270197017393","","","0.71069","MoKα","","0.0404","0.0289","","0.1076","0.0746","","","","1.059","1.08","1.08","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007236","11.085","0.003","7.7168","0.0006","13.006","0.002","90","","99.97","0.02","90","","1095.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester","","- C9 H11 N5 O3 -","- C9 H11 N5 O3 -","- C36 H44 N20 O12 -","4","1","JZ1235","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester","Acta Crystallographica Section C","1998","54","5","659","661","10.1107/S0108270197015795","","","1.54178","CuKα","","0.041","0.038","","0.101","0.1","","","","1.381","1.408","1.408","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007237","9.2753","0.0006","11.3756","0.0008","21.72","0.002","90","","90","","90","","2291.7","0.3","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate","","- C12 H38 Cl2 Cu N6 O10 -","- C12 H38 Cl2 Cu N6 O10 -","- C48 H152 Cl8 Cu4 N24 O40 -","4","0.25","JZ1250","Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert","Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1998","54","5","614","616","10.1107/S0108270197018131","","","0.71073","MoKα","","0.0485","0.0273","","","","0.0586","","","","","","1.045","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007238","7.4845","0.0009","10.4936","0.001","6.2217","0.0005","90","","90","","90","","488.65","0.08","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","lithium hexafluoro arsenate monohydrate","","- As F6 H2 Li O -","- As F6 H2 Li O -","- As4 F24 H8 Li4 O4 -","4","0.25","JZ1259","Loss, Sandra; Röhr, Caroline","Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O","Acta Crystallographica Section C","1998","54","5","567","569","10.1107/S0108270197015497","","","0.7107","MoKα","","0.0381","0.021","","0.0558","0.0507","","","","1.085","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007239","8.107","0.003","8.53","0.003","7.339","0.003","90.11","0.03","98.44","0.03","94.859","0.003","500.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Crystal structure of 2,4 dichlorophenyloxy acetyl hydrazine","","- C8 H8 Cl2 N2 O2 -","- C8 H8 Cl2 N2 O2 -","- C16 H16 Cl4 N4 O4 -","2","1","KA1248","Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P.","(2,4-Dichlorophenoxy)acetohydrazide","Acta Crystallographica Section C","1998","54","5","669","670","10.1107/S0108270197018416","","","0.71069","MoKα","","0.0603","0.0439","","0.1539","0.1326","","","","1.166","1.22","1.22","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007240","4.644","0.003","16.559","0.005","7.007","0.003","90","","94.19","0.04","90","","537.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-bibenzoxazole","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","KA1251","F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger","2,2'-Bibenzoxazole","Acta Crystallographica Section C","1998","54","5","668","669","10.1107/S0108270197018143","","","0.71073","MoKα","","0.0533","0.0444","","","","0.1328","","","","","","1.084","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007241","7.1513","0.0006","8.2054","0.0006","8.3385","0.0006","117.264","0.006","96.049","0.006","100.497","0.006","417.56","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Ammonium saccharin","Ammonium o-sulfobenzoimide","","- C7 H8 N2 O3 S -","- C7 H8 N2 O3 S -","- C14 H16 N4 O6 S2 -","2","1","KA1255","Ng, Seik Weng","Ammonium Saccharin","Acta Crystallographica Section C","1998","54","5","649","651","10.1107/S0108270197014868","","","0.71073","MoKα","","0.037","0.033","","0.101","0.097","","","","1.067","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007242","7.855","0.002","9.982","0.002","11.589","0.002","90","","90","","90","","908.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenyl-2-pyridylketone","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","LN1015","Sievert, Mark; Dienelt, Ruediger; Bock, Hans","Phenyl 2-Pyridyl Ketone at 150K","Acta Crystallographica Section C","1998","54","5","674","676","10.1107/S0108270197017940","","","0.71073","MoKα","","0.0441","0.0373","","0.106","0.0968","","","","1.036","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007243","7.655","0.002","10.867","0.002","12.082","0.002","103.44","0.02","102.75","0.02","105.89","0.02","895.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Triiodide","","- C24 H22 I6 S6 -","- C24 H22 I6 S6 -","- C24 H22 I6 S6 -","1","0.5","LN1043","Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate","Acta Crystallographica Section C","1998","54","5","679","681","10.1107/S010827019701768X","","","0.71073","MoKα","","0.1005","0.0346","","0.1007","0.0819","","","","1.006","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007244","11.087","0.005","10.4329","0.001","14.325","0.009","90","","104.32","0.02","90","","1605.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methoxylphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene) ethane Perchlorate","","- C26 H26 Cl2 O10 S6 -","- C26 H26 Cl2 O10 S6 -","- C52 H52 Cl4 O20 S12 -","2","0.5","LN1043","Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert","1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate","Acta Crystallographica Section C","1998","54","5","679","681","10.1107/S010827019701768X","","","0.71073","MoKα","","0.0697","0.0384","","0.1096","0.0948","","","","1.019","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007245","33.354","0.007","10.26","0.002","17.4","0.004","90","","90","","90","","5954","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-closo-dodecaborane","","- C20.5 H46 B9 Cl P2 Pt -","- C20.5 H46 B9 Cl P2 Pt -","- C164 H368 B72 Cl8 P16 Pt8 -","8","2","MU1341","Thomas, Rhodri Ll.; Welch, Alan J.; Kyd, Gwenda O.","1-Phenyl-3,3-bis(triethylphosphine)-1,2-dicarba-3-platina-<i>closo</i>-dodecaborane 0.5-Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","5","588","591","10.1107/S0108270197017204","","","0.71073","MoKα","","0.051","0.033","","0.08","0.075","","","","1.063","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007246","8.873","0.001","12.921","0.001","24.812","0.003","90","","100.16","0.01","90","","2800","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","10-Chloro-6,7-dihydro-5H benzo[6,7]cyclohepta[1,2-b]quinoline","","- C18 H14 Cl N -","- C18 H14 Cl N -","- C144 H112 Cl8 N8 -","8","2","MU1348","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","10-Chloro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline and 10-Methyl-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline","Acta Crystallographica Section C","1998","54","5","641","643","10.1107/S0108270197017654","","","0.71073","MoKα","","0.114","0.0433","","0.1031","0.0871","","","","0.798","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007247","8.972","0.005","12.973","0.004","24.699","0.009","90","","98.41","0.03","90","","2844","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","10-Methyl-6,7-dihydro-5H[benzo][6,7]cyclohepta[1,2-b]qinoline","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","2","MU1348","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","10-Chloro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline and 10-Methyl-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline","Acta Crystallographica Section C","1998","54","5","641","643","10.1107/S0108270197017654","","","0.71073","MoKα","","0.167","0.0537","","0.1326","0.1006","","","","0.81","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007248","9.965","0.002","21.188","0.004","16.792","0.003","90","","93.1","0.03","90","","3540.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H20 I2 N10 Zr -","- C40 H20 I2 N10 Zr -","- C160 H80 I8 N40 Zr4 -","4","1","MU1357","Kubiak, Ryszard; Ejsmont, Krzysztof","(1,2-Benzenedicarbonitrile-κ<i>N</i>)diiodo(phthalocyaninato-κ^4^<i>N</i>)zirconium(IV)","Acta Crystallographica Section C","1998","54","5","572","574","10.1107/S0108270197017691","","","0.71073","MoKα","","0.1228","0.0467","","0.0889","0.0741","","","","1.018","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007249","17.786","0.002","14.504","0.001","7.437","0.003","90","","90","","90","","1918.5","0.8","295","0.1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}","","- C12 H14 Cl4 Hg2 N2 S2 -","- C12 H14 Cl4 Hg2 N2 S2 -","- C48 H56 Cl16 Hg8 N8 S8 -","4","0.5","MU1360","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena","Di-μ-chloro-bis[(2-ammoniobenzenethiolato-<i>S</i>)chloromercury(II)]","Acta Crystallographica Section C","1998","54","5","574","576","10.1107/S0108270197016788","","","0.71073","MoKα","","0.0778","0.0368","","","","0.0772","","","","","","1.038","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2007250","7.8069","0.0012","15.768","0.004","16.398","0.003","90","","90","","90","","2018.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)","","- C8 H7 Cl2 N3 Pd -","- C8 H7 Cl2 N3 Pd -","- C64 H56 Cl16 N24 Pd8 -","8","1","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0284","0.0236","","0.0632","0.0619","","","","1.108","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007251","11.752","0.003","5.1373","0.0008","12.288","0.002","90","","104.62","0.02","90","","717.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis[3-(2-pyridyl)pyrazolato]palladium(II)","","- C16 H12 N6 Pd -","- C16 H12 N6 Pd -","- C32 H24 N12 Pd2 -","2","0.5","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0216","0.0177","","0.0501","0.0495","","","","1.043","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007252","13.186","0.006","5.279","0.001","27.288","0.004","90","","90","","90","","1899.5","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquachlorobis(pyridinioacetato)copper(II) perchlorate","","- C14 H18 Cl2 Cu N2 O10 -","- C14 H18 Cl2 Cu N2 O10 -","- C56 H72 Cl8 Cu4 N8 O40 -","4","1","MU1368","Wu, Yu-Luan; Tong, Ye-Xiang; Chen, Xiao-Ming; Mak, Thomas C. W.","Diaquachlorobis(4-pyridinioacetate-<i>O</i>)copper(II) Perchlorate","Acta Crystallographica Section C","1998","54","5","606","608","10.1107/S0108270197017216","","","0.71073","MoKα","","0.0442","0.0346","","0.0827","0.0773","","","","1.077","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007253","6.081","0.001","6.957","0.001","19.707","0.004","90","","95.46","0.03","90","","829.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cl N2 O2 -","- C7 H7 Cl N2 O2 -","- C28 H28 Cl4 N8 O8 -","4","1","MU1371","Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Bujak, Maciej","4-Chloro-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","1998","54","5","672","674","10.1107/S0108270197017708","","","0.71073","MoKα","","0.0845","0.0673","","0.2322","0.2044","","","","1.106","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007254","12.206","0.005","15.259","0.003","20.718","0.008","90","","100.51","0.03","90","","3794","2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","mono methylcyclopentadienyl bis(2,6-ditertbutyl-4-methylphenoxo) ytterbium tetrafuranate","","- C40 H61 O3 Yb -","- C40 H61 O3 Yb -","- C160 H244 O12 Yb4 -","4","1","NA1292","Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(η^5^-methylcyclopentadienyl)(tetrahydrofuran-<i>O</i>)ytterbium","Acta Crystallographica Section C","1998","54","5","625","627","10.1107/S0108270197015205","","","0.71069","MoKα","","","0.029","","","0.039","","","","","1.34","1.34","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007255","19.033","0.002","13.661","0.001","9.546","0.001","90","","95.72","0.01","90","","2469.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis[2'hydroxy-3'-(N-ethylimino)-5'-methylbenzyl]-piperazine","","- C26 H36 N4 O2 -","- C26 H34.5 N4 O2 -","- C104 H138 N16 O8 -","4","1","NA1317","R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy","1,4-Bis[3-(<i>N</i>-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine","Acta Crystallographica Section C","1998","54","5","644","645","10.1107/S0108270197017514","","","0.71073","MoKα","","0.0888","0.0445","","0.1359","0.1171","","","","0.908","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007256","9.855","0.007","28.479","0.009","6.28","0.001","90","","90","","90","","1762.5","1.4","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 3,4-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.044","","","0.044","","","","","2.392","2.392","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007257","6.163","0.001","10.199","0.009","14.14","0.009","90","","94.112","0.009","90","","886.5","1","298","","","","","","","","","","","5","P 1 21 1","","","","L-leucine 2,5-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C28 H50 N2 O12 S2 -","2","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.049","","","0.06","","","","","3.729","3.729","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2007258","9.866","0.002","28.201","0.009","6.25","0.002","90","","90","","90","","1738.9","0.9","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 4-methylbenzenesulfonate monohydrate","","- C13 H23 N O6 S -","- C13 H23 N O6 S -","- C52 H92 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.047","","","0.055","","","","","2.86","2.86","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007259","5.264","0.003","10.084","0.004","24.758","0.003","90","","93.02","0.04","90","","1312.4","0.9","298.2","","298.2","","","","","","","","","4","P 1 21 1","P 2yb","4","1-phenyl-1,2,3,4-tetrahydroisoquinolinine monohydrochloride","","","- C15 H16 Cl N -","- C15 H16 Cl N -","- C60 H64 Cl4 N4 -","4","2","OA1027","Nakahara, Hideaki; Takeuchi, Makoto; Naito, Ryo; Kurihara, Hiroyuki; Nagano, Noriaki; Isomura, Yasuo; Mase, Toshiyasu","Absolute Configuration of (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline Hydrochloride","Acta Crystallographica Section C","1998","54","5","651","653","10.1107/S0108270197018581","","","1.54184","CuKα","","","0.059","","","0.077","","","","","1.16","1.16","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007260","10.797","0.003","11.933","0.003","12.939","0.003","82.457","0.001","66.762","0.001","70.985","0.001","1448.2","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H100 Al2 Er2 O14 -","- C42 H100 Al2 Er2 O14 -","- C42 H100 Al2 Er2 O14 -","1","0.5","OS1001","Kritikos, Mikael; Wijk, Maria; Westin, Gunnar","[Er~2~Al~2~(O^<i>i^</i>Pr)~12~(HO^<i>i^</i>Pr)~2~], a Novel Heterobimetallic Alkoxide","Acta Crystallographica Section C","1998","54","5","576","578","10.1107/S0108270197017460","","","0.71073","MoKα","","0.025","0.0237","","0.0626","","0.0618","","","1.088","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007261","20.252","0.002","13.638","0.001","13.132","0.001","90","","100.401","0.008","90","","3567.4","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexakis(N,N-dimethylformamide)aluminium(III) perchlorate","","- C18 H42 Al Cl3 N6 O18 -","- C18 H42 Al Cl3 N6 O18 -","- C72 H168 Al4 Cl12 N24 O72 -","4","0.5","OS1003","Suzuki, Honoh; Ishiguro, Shin-ichi","<i>N</i>,<i>N</i>-Dimethylformamide Complex of Aluminium(III) Perchlorate","Acta Crystallographica Section C","1998","54","5","586","588","10.1107/S0108270197018817","","","1.54184","CuKα","","0.0603","0.0556","","0.1695","0.1625","","","","1.089","1.106","1.106","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007262","9.012","0.002","13.492","0.002","16.808","0.002","90","","95.991","0.001","90","","2032.5","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O4 S -","- C22 H16 Br N O4 S -","- C88 H64 Br4 N4 O16 S4 -","4","1","PT1045","Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","(3-Bromo-1-phenylsulfonyl-2-indolyl)methyl Benzoate","Acta Crystallographica Section C","1998","54","5","635","637","10.1107/S0108270197016995","","","0.71073","MoKα","","0.0909","0.0509","","0.1311","0.1101","","","","1.069","1.125","1.125","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007263","8.6696","0.0007","11.1396","0.0007","21.1975","0.0007","90","","92.49","0.02","90","","2045.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","PT1052","V.K. Ganesh; S.Banumathi; D.Velmurugan; N. Ramasubbu; V.T.Ramakrishnan","9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","5","633","635","10.1107/S0108270197017009","","","1.5418","CuKα","","0.0722","0.0511","","0.1762","0.1522","","","","0.61","0.612","0.612","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007264","18.1623","0.0007","9.5124","0.0003","17.8745","0.0007","90","","106.063","0.003","90","","2967.56","0.19","150","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenylphosphine sulfide","","- C18 H15 P S -","- C18 H15 P S -","- C144 H120 P8 S8 -","8","2","QA0032","Foces-Foces, C.; Llamas-Saiz, A.L.","Triphenylphosphine Sulfide: a Redetermination at 150K","Acta Crystallographica Section C","1998","54","5","IUC9800013","","10.1107/S0108270198099673","","","1.5418","CuKα","","0.04","0.036","","0.045","0.043","","","","0.989","0.99","0.99","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007265","14.247","0.002","11.371","0.002","16.727","0.003","90","","90.33","0.01","90","","2709.8","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","(μ-dicyclohexylphosphido)(μ-trifluormethyl-mercury)-octacarbonyl-dirhenium","","- C21 H22 F3 Hg O8 P Re2 -","- C21 H22 F3 Hg O8 P Re2 -","- C84 H88 F12 Hg4 O32 P4 Re8 -","4","0.5","QA0033","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl(μ-dicyclohexylphosphanido)(μ-trifluoromethylmercury)dirhenium","Acta Crystallographica Section C","1998","54","5","IUC9800015","","10.1107/S0108270198099727","","","0.71073","MoKα","","0.0626","0.0364","","0.0861","0.074","","","","0.99","1.041","1.041","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007266","9.722","0.002","11.36","0.002","13.123","0.003","66.16","0.02","87.77","0.02","75.19","0.02","1278.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-cyclohexylphosphido)-octacarbonyl-manganese-rhenium","","- C20 H24 Mn O8 P2 Re -","- C20 H22 Mn O8 P2 Re -","- C40 H44 Mn2 O16 P4 Re2 -","2","1","QA0035","Flörke, Ulrich","Octacarbonylbis(μ-cyclohexylphosphanido)manganeserhenium","Acta Crystallographica Section C","1998","54","5","IUC9800016","","10.1107/S0108270198099715","","","0.71073","MoKα","","0.066","0.0394","","0.0944","0.0848","","","","1.102","1.166","1.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007267","10.228","0.004","25.01","0.009","10.823","0.005","90","","114.59","0.03","90","","2517.5","1.9","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(μ-dicyclohexyl)(μ-chloro)bis(triphenylphosphane-tricarbonyl-rhenium)","","- C54 H52 Cl O6 P3 Re2 -","- C54 H49 Cl O6 P3 Re2 -","- C108 H98 Cl2 O12 P6 Re4 -","2","0.5","QA0036","Flörke, Ulrich","μ-Chloro-(μ-dicyclohexylphosphanido)bis[tricarbonyl(triphenylphosphine)rhenium]","Acta Crystallographica Section C","1998","54","5","IUC9800017","","10.1107/S0108270198099703","","","0.71073","MoKα","","0.0959","0.0469","","0.1347","0.0903","","","","1.045","1.023","1.023","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2007268","8.282","0.0002","7.8396","0.0001","20.2459","0.0004","90","","99.613","0.001","90","","1296.06","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-hydroxy-N-(4-nitrophenyl)phenethylamine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","QA0037","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","β-Hydroxy-<i>N</i>-(4-nitrophenyl)phenethylamine","Acta Crystallographica Section C","1998","54","5","IUC9800012","","10.1107/S0108270198099685","","","0.71073","MoKα","","0.0634","0.046","","0.1225","0.1101","","","","1.038","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007269","15.9935","0.0007","17.3378","0.0006","17.5073","0.0007","90","","101.542","0.005","90","","4756.5","0.3","148","","148","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetrabutylammonium) Nonadecaoxohexamolybdenum(VI)","","- C32 H72 Mo6 N2 O19 -","- C32 H72 Mo6 N2 O19 -","- C128 H288 Mo24 N8 O76 -","4","0.5","QB0032","Boyle, Paul D.; Stauffer, Thad C.; Wirgau, Joseph I.; Cornman, Charles R.","Bis(tetra-<i>n</i>-butylammonium) Nonadecaoxohexamolybdenum(VI): a Redetermination at 148K","Acta Crystallographica Section C","1998","54","5","IUC9800011","","10.1107/S0108270198099739","","","0.71073","MolybdenumKα","","0.035","0.035","","0.043","0.042","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007270","5.999","0.001","5.999","0.001","5.999","0.001","90","","90","","90","","215.89","0.06","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","lithium tantalum phosphide","","","- Li7.5 P4 Ta0.5 -","- Li7.5072 P4 Ta0.4896 -","- Li7.5072 P4 Ta0.4896 -","1","0.00520833","QB0037","Monconduit, Laure; Belin, Claude; Tillard, Monique","The New Mixed Lithium Tantalum Phosphide Li~8{-~<i>x</i>}Ta~<i>x~</i>P~4~ (<i>x</i> = 0.5)","Acta Crystallographica Section C","1998","54","5","IUC9800014","","10.1107/S0108270198099740","","","0.71073","MoKα","","0.0304","0.0304","","","","0.0707","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007271","6.5694","0.0015","8.917","0.002","13.696","0.003","90","","96.14","0.03","90","","797.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(2-aminobenzyl)-1,4-diazacyclohexane","","- C18 H24 N4 -","- C18 H24 N4 -","- C36 H48 N8 -","2","0.5","QB0038","Li, Wan-Sheung; Vatsadze, Sergei V.; Blake, Alexander J.; Mountford, Philip","1,4-Bis(2-aminobenzyl)-1,4-diazacyclohexane","Acta Crystallographica Section C","1998","54","5","IUC9800019","","10.1107/S0108270198099661","","","0.71073","MoKα","","0.0484","0.0357","","","","0.0919","","","","","","1.102","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007272","6.644","0.013","23.03","0.004","8.856","0.003","90","","99.64","0.02","90","","1336","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-nitrobenzyl)diethanolamine hydrobromide","N-(2-nitrobenzyl)diethanolammonium bromide","","- C11 H17 Br N2 O4 -","- C11 H17 Br N2 O4 -","- C44 H68 Br4 N8 O16 -","4","1","QB0039","Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Mountford, Philip; Schröder, Martin; Wilson, Paul J.","Bis(2-hydroxyethyl)(2-nitrobenzyl)ammonium Bromide","Acta Crystallographica Section C","1998","54","5","IUC9800020","","10.1107/S0108270198098783","","","0.71073","MoKα","","0.0724","0.048","","","","0.1171","","","","","","1.029","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007273","9.739","0.001","9.739","0.001","16.921","0.001","90","","90","","90","","1604.9","0.3","198","","198","","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C20 H56 Li2 N2 O2 Si4 -","- C20 H56 Li2 N2 O2 Si4 -","- C40 H112 Li4 N4 O4 Si8 -","2","0.25","QC0002","Boyle, Timothy J.; Scott, Brian L.","Low-Temperature Structure of Lithium Bis(trimethylsilyl)amide Etherate, {[LiO(CH~2~CH~3~)~2~][N(Si(CH~3~)~3~)~2~]}~2~","Acta Crystallographica Section C","1998","54","5","IUC9800018","","10.1107/S0108270198099697","","","0.71073","MoKα","","0.0402","0.0358","","0.1063","0.1022","","","","1.323","1.326","1.326","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007274","14.135","0.002","9.884","0.001","10.877","0.001","90.01","0.01","118.95","0.01","90.004","0.001","1329.7","0.3","180","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole oxide","","- C12 H13 Br2 O P -","- C12 H13 Br2 O P -","- C48 H52 Br8 O4 P4 -","4","1","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0378","0.0309","","0.0749","0.0727","","","","1.137","1.172","1.172","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007275","7.843","0.001","26.024","0.003","14.003","0.002","90","","96.95","0.02","90","","2837.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole sulfide","","- C12 H13 Br2 P S -","- C12 H13 Br2 P S -","- C96 H104 Br16 P8 S8 -","8","2","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0908","0.0509","","0.1495","0.1416","","","","1.193","1.531","1.531","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007276","7.3535","0.0015","7.9457","0.0017","11.731","0.002","92.61","0.02","96.96","0.02","109.53","0.02","638.5","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","1-phenyl-2-bromo-3,4-dimethylphosphole sulfide","","- C12 H12 Br P S -","- C12 H12 Br P S -","- C24 H24 Br2 P2 S2 -","2","1","SK1134","Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert","Key Intermediates in the Synthesis of 2,2'-Biphosphole","Acta Crystallographica Section C","1998","54","5","676","679","10.1107/S0108270197018179","","","0.71073","MoKα","","0.0427","0.0364","","","0.095","0.0997","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007277","7.2897","0.0005","19.692","0.003","7.523","0.002","90","","92.18","0.02","90","","1079.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3-formyl-2,4-dinitrophenolate dihydrate","","- C7 H7 K N2 O8 -","- C7 H7 K N2 O8 -","- C28 H28 K4 N8 O32 -","4","1","SK1160","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. D'A. Rocha; Serra, A.C.","Potassium 3-Formyl-2,4-dinitrophenolate Dihydrate","Acta Crystallographica Section C","1998","54","5","618","621","10.1107/S0108270197017484","","","0.71073","MoKα","","0.0521","0.0317","","","0.0801","0.0889","","","","","","1.075","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007278","10.082","0.002","10.187","0.001","10.304","0.002","88.5","0.02","70.62","0.01","88.19","0.02","997.7","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","2,2'-Bis(1-cyclohexanol)-biphenyl","","- C24 H30 O2 -","- C24 H30 O2 -","- C48 H60 O4 -","2","1","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0642","0.0466","","","","0.1226","","","","","","1.061","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007279","10.062","0.001","16.307","0.001","11.398","0.002","90","","97.83","0.01","90","","1852.8","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,2,7,7-Bis(pentamethylene)-dibenzo[c;e]-dihydro-oxepin","","- C24 H28 O -","- C24 H28 O -","- C96 H112 O4 -","4","2","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0473","0.0392","","","","0.0907","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007280","5.308","0.001","7.781","0.001","10.453","0.001","99.38","0.01","95.87","0.01","99.93","0.01","415.78","0.11","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","4,5-9,10-Dicyclodexapyrene","","- C24 H26 -","- C24 H26 -","- C24 H26 -","1","0.5","SK1161","Nieger, Martin; Hupfer, Heike; Bolte, Michael","Structural Investigation of Biphenyl Derivatives","Acta Crystallographica Section C","1998","54","5","656","659","10.1107/S0108270197017939","","","0.71069","MoKα","","0.0567","0.045","","","","0.1254","","","","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007281","13.3409","0.001","5.8353","0.0005","15.0408","0.001","90","","100.142","0.008","90","","1152.6","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Δ^4^-7,7-ethylenedioxy-10-methyl-octal-1-one","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","SX1036","Branco, Marcelo Cardoso; Rodrigues, Ana Maria Goncalves D.; Gambardella, Maria Teresa do P.; Muzzi, Rosana M.; Ferraz, Helena M. C.","Δ^4^-7,7-Ethylenedioxy-10-methyloctal-1-one","Acta Crystallographica Section C","1998","54","5","664","666","10.1107/S0108270197019173","","","0.71073","MoKα","","0.1224","0.053","","0.1737","0.1389","","","","1.023","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007282","8.313","0.005","17.486","0.007","10.566","0.005","90","","90","","90","","1535.9","1.3","301","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetraethylammonium Dicopper Triiodide","","- C8 H20 Cu2 I3 N -","- C8 H20 Cu2 I3 N -","- C32 H80 Cu8 I12 N4 -","4","1","SX1046","Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt","Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","597","600","10.1107/S0108270197017496","","","0.71073","MoKα","","","0.047","","","","0.053","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007283","15.44","0.007","17.635","0.006","8.422","0.003","90","","97.14","0.04","90","","2275.4","1.5","301","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 18-Crown-6 Dicopper Triiodide","","- C12 H24 Cu2 I3 K O6 -","- C22 H44 Cu2 I3 K O12 -","- C88 H176 Cu8 I12 K4 O48 -","4","1","SX1046","Aliya K. Nurtaeva; Gary Hu; Elizabeth M. Holt","Tetraethylammonium Dicopper(I) Triiodide and (18-Crown-6)potassium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","597","600","10.1107/S0108270197017496","","","0.71073","MoKα","","","0.086","","","","0.218","","","","","","0.892","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007284","25.19","0.03","11.177","0.012","16.86","0.03","90","","120.36","0.07","90","","4096","10","301","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cesium 15-crown-5 Dicopper(I) Triiodide","","- C10 H20 Cs Cu2 I3 O5 -","- C10 H20 Cs Cu2 I3 O5 -","- C80 H160 Cs8 Cu16 I24 O40 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0595","","","","0.0685","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007285","23.818","0.014","10.956","0.006","17.071","0.01","90","","119.75","0.02","90","","3868","4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium 15-crown-5 Dicopper(I) Triiodide","","- C10 H20 Cu2 I3 K O5 -","- C10 H20 Cu2 I3 K O5 -","- C80 H160 Cu16 I24 K8 O40 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0586","","","","0.0694","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007286","24.613","0.003","11.17","0.001","17.211","0.003","90","","119.9","0.01","90","","4102","1","301","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rubidium 15-Crown-5 Dicopper Triiodide","","- C10 H20 Cu2 I3 O5 Rb -","- C10 H20 Cu2 I3 O5 Rb -","- C80 H160 Cu16 I24 O40 Rb8 -","8","1","SX1047","Aliya K. Nurtaeva; Elizabeth M. Holt","(15-Crown-5)caesium Dicopper(I) Triiodide, (15-Crown-5)potassium Dicopper(I) Triiodide and (15-Crown-5)rubidium Dicopper(I) Triiodide","Acta Crystallographica Section C","1998","54","5","594","597","10.1107/S0108270197017502","","","0.71073","MoKα","","","0.0584","","","","0.0575","","","","","","0.93","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007287","11.027","0.003","12.1065","0.0012","13.199","0.003","90","","106.45","0.02","90","","1689.9","0.6","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trans-3-methoxy-4-nitro-3'4'5'-trimethoxy stilbene","(E)-1-(3'-methoxy-4'-nitrophenyl)-2-(3'',4'',5''-trimethoxyphenyl) ethene","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","SX1050","Mullica, Donald F.; Pinney, Kevin G.; Mejia, Pilar; Rosenquist, Brent E.; Sappenfield, Eric L.","(<i>E</i>)-1-(3-Methoxy-4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)ethene","Acta Crystallographica Section C","1998","54","5","695","697","10.1107/S0108270197019902","","","0.71073","MoKα","","0.066","0.045","","0.531","","0.071","","","","","","1.805","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007288","10.898","0.004","8.807","0.002","14.189","0.002","90","","94.14","0.02","90","","1358.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-Methylphenazinium)tetranitropalladate(II)","","- C26 H22 N8 O8 Pd -","- C26 H22 N8 O8 Pd -","- C52 H44 N16 O16 Pd2 -","2","0.5","TA1144","Namgung, Hae; Kim, Seung-Bin; Suh, Il-Hwan","Bis[<i>N</i>-methylphenazinium(1+)] Tetranitropalladate(II)","Acta Crystallographica Section C","1998","54","5","612","614","10.1107/S0108270197007208","","","0.71073","MoKα","","0.0554","0.0293","","0.0617","0.0577","","","","1.102","1.253","1.253","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007289","9.19","0.005","9.232","0.002","9.66","0.002","79.15","0.01","85.82","0.03","65.39","0.04","731.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","biammonium trisodium nonadecaoxo(tritungsto)trivanadate dodecahydrate","","- H32 N2 Na3 O31 V3 W3 -","- N2 Na3 O31 V3 W3 -","- N2 Na3 O31 V3 W3 -","1","0.5","TA1182","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Wang, Tie-Gang; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~2~Na~3~(V~3~W~3~O~19~).12H~2~O","Acta Crystallographica Section C","1998","54","5","563","565","10.1107/S0108270197016417","","","0.71073","MoKα","","0.073","0.0667","","0.1792","0.1598","","","","1.203","1.226","1.226","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007290","21.88","0.002","13.918","0.001","23.829","0.002","90","","105.745","0.001","90","","6984.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 N12 Ni2 O23 V4 -","- C60 H48 N12 Ni2 O23 V4 -","- C240 H192 N48 Ni8 O92 V16 -","4","0.5","TA1193","Guo-Yu Yang; Da-Wei Gao; Ying Chen; Ji-Qing Xu; Qing-Xin Zeng; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yan Xing; Yong-Hua Ling; Heng-Qing Jia","[Ni(C~10~H~8~N~2~)~3~]~2~[V~4~O~12~].11H~2~O","Acta Crystallographica Section C","1998","54","5","616","618","10.1107/S0108270197018751","","","0.71073","MoKα","","0.0528","0.0376","","0.1077","0.1016","","","","0.962","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007291","29.357","0.004","7.096","0.006","20.201","0.004","90","","128.472","0.008","90","","3295","3","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","","","","","","- C18 H10 Cl2 N4 Pt -","- C27 H15 Cl3 N6 Pt1.5 -","- C216 H120 Cl24 N48 Pt12 -","8","1","TA1194","Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru","Two-Dimensional Stacking of Dichloro(dipyridophenazine)platinum(II)","Acta Crystallographica Section C","1998","54","5","621","623","10.1107/S0108270197018052","","","0.7107","MoKα","","0.076","0.076","","0.103","0.103","","","","1.176","1.176","1.176","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007292","10.665","0.005","7.219","0.002","23.662","0.003","90","","90","","90","","1821.8","1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Neodymium diselenite seleniousf acid dihydrate","","- H6 Nd2 O20 Se7 -","- H6 Nd2 O20 Se7 -","- H24 Nd8 O80 Se28 -","4","1","AB1466","Miluvka Stancheva; Rosica Petrova; Josef Macíček","Neodymium Diselenite Selenious Acid Dihydrate: Structure and Conformation of the Se~2~O~5~ Group","Acta Crystallographica Section C","1998","54","6","699","701","10.1107/S0108270197019318","","","0.71069","MoKα","","0.0321","0.0277","","","","0.0708","","","","","","0.897","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007293","16.675","0.003","7.163","0.001","8.1","0.002","90","","90","","90","","967.5","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Trimethylammoniumnickel(II)chloridedihydrate","Trimethylammoniumdiaquodichloronickel(II)chloride","","- C3 H14 Cl3 N Ni O2 -","- C3 H14 Cl3 N Ni O2 -","- C12 H56 Cl12 N4 Ni4 O8 -","4","0.5","AB1508","Thiele, Gerhard; Wittenburg, Gunnar","Trimethylammonium Nickel(II) Chloride Dihydrate","Acta Crystallographica Section C","1998","54","6","764","766","10.1107/S0108270198000109","","","0.71069","MoKα","","0.0836","0.0271","","","","0.0789","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007294","25.281","0.004","6.741","0.001","15.559","0.003","90","","101.92","0.03","90","","2594.4","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","AB1513","Gigmes, Didier; Siri, Didier; Reboul, Jean-Pierre; Redouane, Nourredine; Tordo, Paul; Pèpe, Gerard","2-Methyl-2-(10-phenoxazinyl)propiononitrile","Acta Crystallographica Section C","1998","54","6","822","824","10.1107/S010827019701932X","","","0.71073","MoKα","","0.0455","0.044","","0.0896","0.0893","","","","0.961","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007295","11.2662","0.0013","9.8162","0.001","17.2773","0.0018","90","","102.47","0.01","90","","1865.6","0.4","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 N3 -","- C21 H17 Cl2 N3 -","- C84 H68 Cl8 N12 -","4","1","AB1518","Kendi, Engin; Özbey, Süheyla; Tunçbilek, Meral; Göker, Hakan","1-Benzyl-2-(2,6-dichloroanilinomethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","1998","54","6","854","856","10.1107/S0108270197019331","","","0.71073","MoKα","","","0.0336","","","0.039","","","","","0.71","0.71","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007296","9.716","0.003","10.447","0.004","16.303","0.006","87.56","0.03","89.14","0.03","88.1","0.03","1652.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis (guanidinium) (hydrogentriethylene tetraamine-hexaacetato) bismuthate III","","- C20 H45 Bi N10 O16 -","- C20 H37 Bi N10 O16 -","- C40 H74 Bi2 N20 O32 -","2","1","AB1531","Wullens, Hilda; Devillers, Michel; Tinant, Bernard; Declercq, Jean-Paul","Bis(guanidinium) (Hydrogen triethylenetetraminehexaacetato)bismuthate(III) Tetrahydrate","Acta Crystallographica Section C","1998","54","6","770","773","10.1107/S0108270198000882","","","0.71069","MoKα","","0.078","0.055","","0.126","","0.119","","","0.983","","","1.061","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007297","9.921","0.001","9.921","0.001","26.88","0.005","90","","90","","120","","2291.2","0.5","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","(2R,4S,6S)-(+)-2-N-benzylmethyl-amino-2-thio-4,6- dimethyl-1,3,2-dioxaphosphorinane","","","- C13 H20 N O2 P S -","- C13 H20 N O2 P S -","- C78 H120 N6 O12 P6 S6 -","6","1","BK1328","Hommer, Herbert; Domínguez, Zaira; Gordillo, Bárbara","(4<i>S</i>,6<i>S</i>,11<i>R</i>)-(+)-<i>trans</i>-4,6-Dimethyl-2-(1-phenylethylamino)-2-thio-1,3,2λ^5^-dioxaphosphorinane","Acta Crystallographica Section C","1998","54","6","832","834","10.1107/S0108270197020179","","","0.71073","MoKα","","0.055","0.037","","0.112","0.106","","","","1.137","1.262","1.262","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007298","12.861","0.002","14.328","0.002","23.929","0.002","90","","99.784","0.011","90","","4345.3","1","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","biphenyl-2-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","4","BK1371","Dobson, Allison J.; Gerkin, Roger E.","Biphenyl-2-carboxylic Acid: a Layered Structure","Acta Crystallographica Section C","1998","54","6","795","798","10.1107/S0108270197018738","","","0.71073","MoKα","","","0.052","","","","0.137","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007299","9.889","0.002","10.208","0.003","9.466","0.006","85.81","0.04","79.79","0.03","79.14","0.02","922.8","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)","Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)","","- C38 H48 Cl2 N2 O2 Sn -","- C38 H48 Cl2 N2 O2 Sn -","- C38 H48 Cl2 N2 O2 Sn -","1","0.5","BK1372","Yeap, Guan-Yeow; Ishizawa, Nobuo","Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-<i>O</i>}tin(IV)","Acta Crystallographica Section C","1998","54","6","720","722","10.1107/S010827019701874X","","","0.7107","MoKα","","0.053","0.029","","0.022","0.02","","","","1.462","1.587","1.587","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007300","4.851","0.004","6.288","0.005","9.781","0.008","99.96","0.07","101.26","0.07","91.04","0.07","287.8","0.4","150","1","150","2","","","","","","","","4","P 1","P 1","1","3-acetamido-2-nitrobenzyl acetate","3-acetamido-2-nitrobenzyl acetate","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","1","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71073","MoKα","","0.0454","0.0371","","0.1047","0.0971","","","","1.144","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007301","4.874","0.007","17.833","0.016","13.277","0.015","90","","92.35","0.1","90","","1153","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Acetamido-6-nitrobenzyl acetate","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71073","MoKα","","0.0702","0.0426","","0.1217","0.1095","","","","1.091","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007302","7.453","0.003","10.939","0.005","15.473","0.009","90","","93.84","0.03","90","","1258.7","1.1","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetamido-6-nitrobenzyl acetate monohydrate","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","1","BM1149","Mazurek, Jarosław; Lis, Tadeusz; Rusek, Grzegorz; Krajewski, Krzysztof","Nitro Derivatives of 3-Acetamidobenzyl Acetate","Acta Crystallographica Section C","1998","54","6","863","867","10.1107/S0108270197008123","","","0.71069","MoKα","","0.0746","0.0441","","0.1386","0.1185","","","","1.058","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007303","8.58","0.001","13.901","0.002","19.977","0.003","90","","98.57","0.02","90","","2356.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","BM1178","Luccioni-Houzé, Barbara; Giusti, Gerard; Pèpe, Gérard","5'-[2-(<i>N</i>-<i>tert</i>-Butylethanal nitrone)]-1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-<i>b</i>][1,4]oxazine]","Acta Crystallographica Section C","1998","54","6","824","825","10.1107/S0108270197012882","","","0.71069","MoKα","","0.046","0.036","","0.066","0.065","","","","0.923","0.991","0.991","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007304","9.0996","0.0007","10.9985","0.0009","11.3214","0.0008","98.956","0.007","109.026","0.006","103.602","0.006","1007.29","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5-Amino-8-cyano-2,4-diphenyl-7-(pyrrolidin-1yl)-1,6-naphthyridine","","- C25 H21 N5 -","- C25 H21 N5 -","- C50 H42 N10 -","2","1","BM1213","Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan","5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","1998","54","6","781","783","10.1107/S0108270197019574","","","0.71073","MoKα","","0.0738","0.0448","","0.1341","0.1207","","","","0.938","1.078","1.078","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007305","5.7358","0.0015","14.693","0.002","13.112","0.0012","90","","98.87","0.04","90","","1091.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-5-nitrobenzophenone","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","BM1214","Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland","2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone","Acta Crystallographica Section C","1998","54","6","856","859","10.1107/S0108270197018969","","","0.7107","MoKα","","0.0693","0.0378","","0.0768","0.0718","","","","0.757","0.957","0.957","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007306","4.215","0.0017","13.602","0.0018","21.547","0.007","90","","94.748","0.0011","90","","1231.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-methylamino-9-fluoro-5-nitrobenzophenone","","- C14 H11 F N2 O3 -","- C14 H11 F N2 O3 -","- C56 H44 F4 N8 O12 -","4","1","BM1214","Philip J. Cox; Abu T. Md. Anisuzzaman; R. Howard Pryce-Jones; Graham G. Skellern; Alastair J. Florence; Norman Shankland","2-Amino-5-nitrobenzophenone and 2'-Fluoro-2-methylamino-5-nitrobenzophenone","Acta Crystallographica Section C","1998","54","6","856","859","10.1107/S0108270197018969","","","0.7107","MoKα","","0.1122","0.0334","","","","0.0682","","","","","","0.496","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007307","13.409","0.003","12.6654","0.0009","8.9671","0.0011","90","","90.308","0.012","90","","1522.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1-Naphthoyl)-5,8-dihydronaphthalene-1-ol","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BM1218","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-(1-Naphthoyl)-5,8-dihydronaphthalen-1-ol","Acta Crystallographica Section C","1998","54","6","783","785","10.1107/S010827019800050X","","","0.71073","MoKα","","0.151","0.037","","0.079","0.061","","","","0.727","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007308","10.2947","0.001","16.368","0.002","10.3822","0.001","90","","96.845","0.01","90","","1737","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,7,10-Tetraoxacyclododecane Di(benzenesulfonyl)amine (1:2)","","- C32 H38 N2 O12 S4 -","- C32 H38 N2 O12 S4 -","- C64 H76 N4 O24 S8 -","2","0.5","BM1226","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CI. 1,4,7,10-Tetraoxacyclododecane‒Di(benzenesulfonyl)amine (1/2)","Acta Crystallographica Section C","1998","54","6","818","820","10.1107/S0108270198002376","","","0.71073","MoKα","","0.037","0.028","","0.073","0.07","","","","1.037","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007309","10.179","0.001","10.179","0.001","11.674","0.002","90","","90","","120","","1047.5","0.2","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","Hexamolybdenum Octatelluride","","- Mo6 Te8 -","- Mo6 Te8 -","- Mo18 Te24 -","3","0.166667","BR1198","Miller, Gordon J.; Smith, Mark","Hexamolybdenum Octatelluride, Mo~6~Te~8~","Acta Crystallographica Section C","1998","54","6","709","710","10.1107/S0108270197017812","","","0.71073","MoKα","","0.0405","0.0387","","0.1097","","0.1091","","","1.171","1.187","1.187","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2007310","7.269","0.001","8.03","0.002","11.055","0.002","90","","103.76","0.03","90","","626.8","0.2","293","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R*,2R*,4R*,5S*,1'E)-1,2,4-trichloro-5-(2'-chloroethenyl-1,5- dimethylcyclohexane)","","- C10 H14 Cl4 -","- C10 H14 Cl4 -","- C20 H28 Cl8 -","2","1","BS1027","Rivera, Patricio; Manríquez, Victor; Wittke, Oscar","Absolute Configuration of a Tetrachloro Monoterpene from <i>Plocamium cartilagineum</i>","Acta Crystallographica Section C","1998","54","6","816","818","10.1107/S0108270197017976","","","0.71073","MoKα","","0.0266","0.0258","","0.0724","0.0713","","","","1.09","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007311","11.4731","0.0004","12.2009","0.0004","17.6234","0.0007","72.477","0.003","75.764","0.003","62.294","0.002","2066.3","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5-5'-diacetyl-2-2'-diethoxy-3-3'-dimethoxy-1,1'-biphenyl","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","2","BS1044","Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.","Lignin Model Compounds: 4,4'-<i>O</i>-Dimethyldehydrodiacetovanillone and 4,4'-<i>O</i>-Diethyldehydrodiacetovanillone","Acta Crystallographica Section C","1998","54","6","837","840","10.1107/S0108270197018015","","","0.71073","MoKα","","0.0775","0.0488","","0.0601","0.0562","","","","2.099","2.305","2.305","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007312","20.09","0.002","7.0879","0.0006","15.414","0.001","90","","124.513","0.004","90","","1808.6","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,5'-diacetyl-2,2',3,3'-tetramethoxy-1,1'-biphenyl","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","BS1044","Ferreira, Márcia A.; Costa, Márcia D. D.; Mendes, Isolda M. C.; Drumond, Mariza G.; Piló-Veloso, Dorila; Fernandes, Nelson G.","Lignin Model Compounds: 4,4'-<i>O</i>-Dimethyldehydrodiacetovanillone and 4,4'-<i>O</i>-Diethyldehydrodiacetovanillone","Acta Crystallographica Section C","1998","54","6","837","840","10.1107/S0108270197018015","","","0.71073","MoKα","","0.0602","0.0602","","0.0886","0.0886","","","","1.8505","1.8505","1.8505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007313","9.256","0.004","11.917","0.004","23.489","0.008","90","","94.74","0.03","90","","2582.1","1.7","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","CF1215","Pajunen, Aarne; Pirkko Karhunen; Gösta Brunow","7-(4-Hydroxy-3-methoxyphenyl)-6-hydroxymethyl-4,10-dimethoxy-2,8-dipropyl-<i>cis</i>-6,7-dihydrodibenzo[<i>b</i>,<i>d</i>]oxepin-11-ol","Acta Crystallographica Section C","1998","54","6","885","887","10.1107/S0108270197019811","","","0.71073","MoKα","","0.082","0.064","","0.194","0.181","","","","0.927","0.985","0.985","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007314","8.7829","0.0007","9.622","0.002","9.8535","0.0011","90","","92.948","0.008","90","","831.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(tert-Butoxycarbonyl)-3-Amino-4-(Trimethylstannyl)pyridine","","- C13 H22 N2 O2 Sn -","- C13 H22 N2 O2 Sn -","- C26 H44 N4 O4 Sn2 -","2","1","CF1218","Crous, Renier; Holzapfel, Cedric W.; Kruger, Gert J.","[3-(<i>tert</i>-Butoxycarbonylamino)-4-pyridyl]trimethyltin(IV), a Tetraorganotin Compound Containing an Unexpected Intramolecular Sn···O Interaction","Acta Crystallographica Section C","1998","54","6","760","762","10.1107/S0108270197017459","","","0.7107","MoKα","","0.0278","0.0269","","","","0.0691","","","","","","1.114","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007315","8.825","0.002","16.518","0.002","7.368","0.002","90","","111.39","0.02","90","","1000.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene) dibenzaldehyde","","- C20 H20 Br2 N2 O4 -","- C20 H20 Br2 N2 O4 -","- C40 H40 Br4 N4 O8 -","2","0.5","CF1222","R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; K.Chinnakali; Suchada Chantrapromma; M.Marappan; M.Kandaswamy","5,5'-Dibromo-2,2'-dihydroxy-3,3'-(piperazine-1,4-diyldimethylene)dibenzaldehyde","Acta Crystallographica Section C","1998","54","6","780","781","10.1107/S0108270198000614","","","0.71073","MoKα","","0.0653","0.034","","0.098","0.0805","","","","0.935","1.028","1.028","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007316","7.102","0.0004","12.7094","0.0006","28.213","0.002","90","","92.076","0.001","90","","2544.9","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(8-methylaminoquinolinium) dimethyltetrachlorostannate(IV)","","- C22 H28 Cl4 N4 Sn -","- C22 H28 Cl4 N4 Sn -","- C88 H112 Cl16 N16 Sn4 -","4","1","CF1224","Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent","8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)","Acta Crystallographica Section C","1998","54","6","728","732","10.1107/S0108270198000626","","","0.71073","MoKα","","","0.034","","","0.048","","","","","1.324","1.324","","","","","has coordinates,has Fobs","190732","2020-10-21","18:00:00",""
"2007317","13.7689","0.0006","12.087","0.0005","18.7926","0.0008","90","","92.641","0.001","90","","3124.2","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(8-methylaminoquinolinium) diphenyltetrachlorostannate(IV)","","- C32 H32 Cl4 N4 Sn -","- C32 H32 Cl4 N4 Sn -","- C128 H128 Cl16 N16 Sn4 -","4","0.5","CF1224","Hazell, Alan; Khoo, Lian Ee; Ouyang, Jiexiang; Rausch, Bernhard J.; Tavares, Zara Miravent","8-Methylaminoquinolinium Salts of Tetrachlorodimethylstannate(IV) and Tetrachlorodiphenylstannate(IV)","Acta Crystallographica Section C","1998","54","6","728","732","10.1107/S0108270198000626","","","0.71073","MoKα","","","0.02","","","0.033","","","","","1.198","1.198","","","","","has coordinates,has Fobs","190732","2020-10-21","18:00:00",""
"2007318","7.753","0.002","11.126","0.002","18.281","0.003","90","","90","","90","","1576.9","0.6","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Cl N3 O -","- C18 H14 Cl N3 O -","- C72 H56 Cl4 N12 O4 -","4","1","CF1231","Malhotra, Sanjay; Vats, Archana; Parmar, Virinder S.; Errington, William","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1998","54","6","844","846","10.1107/S0108270198000717","","","0.71073","MoKα","","0.0407","0.032","","","","0.08","","","","","","1.037","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007319","26.3","0.006","15.596","0.002","16.936","0.004","90","","90","","90","","6947","2","295","1","295","1","","","","","","","","6","C 2 2 21","C 2c 2","","Compound Cubpsac","","","- C34 H28 Cu N6 O8 S2 -","- C34 H28 Cu N6 O8 S2 -","- C272 H224 Cu8 N48 O64 S16 -","8","1","CF1234","Grupče, Orhideja; Jovanovski, Gligor; Šoptrajanov, Bojan; Hergold-Brundić, Antonija","Structure of Bis(2,2'-bipyridyl)(saccharinato-<i>N</i>)copper(II) Saccharinate Dihydrate. Addendum","Acta Crystallographica Section C","1998","54","6","890","891","10.1107/S0108270198005897","","","1.54178","CuKα","","","0.063","","","0.083","","","","","0.704","0.704","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2007320","14.669","0.007","10.722","0.008","10.802","0.006","90","","99.55","0.08","90","","1675.4","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(N-Oxido-N'-hydroxydiazinyl)-3-methylbutyl)octanamide","","- C13 H27 N3 O3 -","- C13 H27 N3 O3 -","- C52 H108 N12 O12 -","4","1","DE1075","Chang, Rakwoo; Shin, Whanchul","<i>N</i>-[2-(<i>N</i>'-Hydroxy-<i>N</i>-oxidodiaziniumyl)-3-methylbutyl]octanamide","Acta Crystallographica Section C","1998","54","6","827","829","10.1107/S0108270198000729","","","1.5418","CuKα","","0.111","0.067","","0.198","0.159","","","","1.028","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007321","9.686","0.003","17.868","0.004","9.636","0.004","87.27","0.02","116.3","0.03","92.66","0.02","1492.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexa(p-Anisidinium) Cyclohexaphosphate Tétrahydrate","","- C42 H68 N6 O28 P6 -","- C41.98 H56 N6 O28 P6 -","- C41.98 H56 N6 O28 P6 -","1","0.5","DU1176","Ould Abdellahi, Mohamed; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Hexakis(<i>p</i>-anisidinium) <i>cyclo</i>-Hexaphosphate Tétrahydrate","Acta Crystallographica Section C","1998","54","6","813","816","10.1107/S0108270197011888","","","1.54178","CuKα","","0.058","0.048","","0.141","0.132","","","","1.068","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007322","8.291","0.001","26.735","0.005","8.567","0.001","90","","114.49","0.02","90","","1728.1","0.5","293","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F16 -","- C18 H2 F16 -","- C72 H8 F64 -","4","1","FG1361","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene","Acta Crystallographica Section C","1998","54","6","846","849","10.1107/S0108270197019951","","","0.7107","MoKα","","0.08","0.044","","0.14","0.11","","","","1.1","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007323","8.268","0.001","8.469","0.002","8.274","0.002","126.06","0.02","110.62","0.02","90.19","0.02","421","0.2","291","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H2 F16 -","- C18 H2 F16 -","- C18 H2 F16 -","1","0.5","FG1361","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene","Acta Crystallographica Section C","1998","54","6","846","849","10.1107/S0108270197019951","","","0.7107","MoKα","","0.045","0.036","","0.117","0.104","","","","1.11","1.112","1.112","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007324","9.386","0.002","27.5","0.001","10.316","0.002","90","","115.51","0.02","90","","2403.1","0.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","α,α',α''-trimethyl-1,3,5-benzenetrimethanol","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","FG1397","Blackburn, Anthony C.; Gerkin, Roger E.","Hydrogen-Bonding Patterns in a Centrosymmetric Structure with <i>Z</i>' = 2: α,α',α''-Trimethyl-1,3,5-benzenetrimethanol","Acta Crystallographica Section C","1998","54","6","792","795","10.1107/S0108270197019975","","","0.71073","MoKα","","","0.071","","","","0.083","","","","","","2.11","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007325","10.8768","0.0015","11.238","0.002","11.6786","0.0008","97.929","0.008","110.895","0.007","109.635","0.009","1201","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C64 H44 N4 O4 -","2","1","FG1399","García-Martínez, Emilia; Vázquez-López, Ezequiel M.; Tuck, Dennis G.","Hydrogen Bonding in the 1:1 Adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol","Acta Crystallographica Section C","1998","54","6","840","842","10.1107/S0108270197019987","","","1.54184","CuKα","","0.1","0.042","","","","0.129","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007326","9.8504","0.0007","15.1177","0.001","11.9574","0.0008","90","","95.831","0.001","90","","1771.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(1,4,8,12- tetraazacyclopentadecane-N,N',N'',N''')zinc(II) Perchlorate","","- C11 H26 Cl2 N4 O4 Zn -","- C11 H26 Cl2 N4 O4 Zn -","- C44 H104 Cl8 N16 O16 Zn4 -","4","1","FG1404","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Pariya, Chandi; Liao, Fen-Ling; Chung, Chung-Sun","Chloro(1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) Perchlorate","Acta Crystallographica Section C","1998","54","6","712","714","10.1107/S0108270197019999","","","0.71073","MoKα","","0.115","0.063","","0.131","0.112","","","","1.083","1.182","1.182","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007327","7.663","0.001","11.833","0.003","29.452","0.007","90","","90","","90","","2670.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","FG1407","Liu, Huiyou; Bélanger-Gariépy, Francine; Akram, Mehdi; Moskova, Mariana; Zhu, Xiao-Xia","Methyl 7α,12α-Dihydroxy-3α-methacryloyloxy-5β-cholan-24-oate","Acta Crystallographica Section C","1998","54","6","801","803","10.1107/S0108270197020003","","","1.54178","CuKα","","0.093","0.04","","0.081","","0.068","","","0.665","","","0.888","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007328","11.667","0.003","7.292","0.002","15.275","0.003","90","","97.02","0.02","90","","1289.8","0.5","200","1","200","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocyclic lactone","7-Oxa-spiro[5,9]pentadecane-1,8,13-trione","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","FG1408","Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.","7-Oxaspiro[5.9]pentadecane-1,8,13-trione","Acta Crystallographica Section C","1998","54","6","789","790","10.1107/S0108270197019847","","","0.71069","MoKα","","0.066","0.037","","0.139","0.107","","","","1.16","1.171","1.171","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007329","7.712","0.003","11.579","0.004","11.416","0.004","90","","106.11","0.03","90","","979.4","0.6","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Dicyanomethylene-5,6-dimethyl-3-cyano-1,2-dihydropyridine","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","FG1411","Elgemeie, Galal E. H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.","2-Dicyanomethylene-5,6-dimethyl-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","6","820","822","10.1107/S0108270197019835","","","0.71073","MoKα","","0.09","0.054","","0.143","0.123","","","","1.018","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007330","18.871","0.007","18.871","","16.249","0.011","90","","90","","90","","5787","4","210","2","210","2","","","","","","","","4","I -4","I -4","82","","","","- C29.25 H40.25 Br2 Cl0.75 -","- C29.25 H40.25 Br2 Cl0.75 -","- C234 H322 Br16 Cl6 -","8","1","FG1412","Mario Leclerc; Maxime Ranger; Francine Bélanger-Gariépy","2,7-Dibromo-9,9-dioctylfluorene‒Chloroform (1/0.25)","Acta Crystallographica Section C","1998","54","6","799","801","10.1107/S0108270197020015","","","1.54178","CuKα","","0.052","0.044","","0.113","","0.106","","","1.003","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007331","9.938","0.004","11.876","0.005","13.611","0.005","90","","91.96","0.01","90","","1605.5","1.1","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","14-O-Benzoyl-8-methoxy- and 14-O-Benzoyl-8-ethoxy- Bikhaconines","[1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-methoxy 14-benzoate and [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-ethoxy 14-benzoate.","","- C33.35 H47.7 N O8 -","- C33.35 H47.7 N O8 -","- C66.7 H95.4 N2 O16 -","2","1","FG1415","Parvez, Masood; Gul, Waseem; Anwar, Saeed","14-<i>O</i>-Benzoyl-8-ethoxybikhaconine and 14-<i>O</i>-Benzoyl-8-methoxybikhaconine","Acta Crystallographica Section C","1998","54","6","790","792","10.1107/S0108270198000171","","","1.54178","CuKα","","0.067","0.062","","0.171","0.161","","","","1.009","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007332","14.14","0.002","9.167","0.001","7.263","0.001","90","","90","","90","","941.4","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","(+\-)-3-indanone-1-acetic acid","(+\-)-2,3-dihydro-3-oxo-1H-indeneacetic Acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1417","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(±)-3-Indanone-1-acetic Acid: Heterochiral Catemeric Hydrogen Bonding in a δ-Keto Acid","Acta Crystallographica Section C","1998","54","6","829","831","10.1107/S0108270197019823","","","0.71073","MoKα","","0.07","0.05","","0.129","0.117","","","","1.05","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007333","12.698","0.003","5.6022","0.0011","21.041","0.004","90","","106.387","0.004","90","","1436","0.5","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-cyano-4'-(4R-5-epoxypentyloxy)biphenyl","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","2","FG1424","Clegg, William; Coles, Simon J.; Fallis, Ian A.; Griffiths, Paul M.; Teat, Simon J.","4-Cyano-4'-[(4<i>R</i>)-4,5-epoxypentyloxy]biphenyl: a Pseudosymmetry Problem Solved with Synchrotron Data","Acta Crystallographica Section C","1998","54","6","882","885","10.1107/S0108270197020027","","","0.6956","Synchrotron","","0.058","0.046","","","","0.133","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007334","10.95","0.0012","12.2333","0.0009","7.1453","0.0006","90.242","0.007","106.042","0.007","85.257","0.008","916.55","0.15","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","2,6,6-trimethyl-3-carbethoxy-4-(fluorophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline","","- C21 H24 F N O3 -","- C21 H24 F N O3 -","- C42 H48 F2 N2 O6 -","2","1","FG1427","Linden, Anthony; Şafak, Cihat; Şimşek, Rahime","Racemic Ethyl 4-(2-Fluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","1998","54","6","879","882","10.1107/S0108270198000195","","","0.71069","MoKα","","0.067","0.052","","","","0.16","","","","","","1.05","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007335","10.2","0.001","10.243","0.001","11.23","0.001","63.7","0.01","87.54","0.01","69.45","0.01","976","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tetrasodium triethylenetetraminehexaacetic acid dilead nitrate decahydrate","tetrasodium [μ~2~-[3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato-] ]-dilead dinitrate decahydrate","","- C18 H44 N6 Na4 O28 Pb2 -","- C18 H44 N6 Na4 O28 Pb2 -","- C18 H44 N6 Na4 O28 Pb2 -","1","0.5","FR1076","Thompson, Julia A.; Scott, Brian L.; Sauer, Nancy N.","Triethylenetetraminehexaacetic Acid Complex of Lead","Acta Crystallographica Section C","1998","54","6","734","736","10.1107/S0108270197018428","","","0.71073","MoKα","","0.0365","0.0308","","0.0786","0.0752","","","","1.079","1.081","1.081","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2007336","10.6443","0.0001","10.9621","0.0001","16.1129","0.0002","86.01","0.001","81.937","0.001","61.998","0.001","1643.59","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N4 O2 -","- C42 H30 N4 O2 -","- C84 H60 N8 O4 -","2","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0775","0.0465","","0.1294","0.1124","","","","1.032","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007337","9.2081","0.0001","10.962","0.0001","13.2238","0.0001","67.053","0.001","84.532","0.001","68.754","0.001","1143.98","0.02","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H23 N5 -","- C29 H23 N5 -","- C58 H46 N10 -","2","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0665","0.0452","","0.1301","0.1188","","","","1.015","1.141","1.141","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007338","11.1257","0.0001","15.4692","0.0002","18.7765","0.0001","90","","91.135","0.001","90","","3230.91","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 N4 O2 -","- C42 H32 N4 O2 -","- C168 H128 N16 O8 -","4","1","FR1078","Ramaiah, D.; Rath, Nigam P.; George, M. V.","Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles","Acta Crystallographica Section C","1998","54","6","872","875","10.1107/S0108270197017332","","","0.71073","MoKα","","0.0578","0.0429","","0.1062","0.0976","","","","1.019","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007339","9.8829","0.0001","12.3755","0.0001","12.0482","0.0001","90","","95.869","0.001","90","","1465.84","0.02","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Co3 N8 O8 -","- C20 H36 Co3 N8 O8 -","- C40 H72 Co6 N16 O16 -","2","0.5","FR1108","Mareque Rivas, Juan C.; Brammer, Lee","Bis[tris(2-aminoethyl)amine]cobalt(II) Bis[tetracarbonylcobaltate(1‒)]","Acta Crystallographica Section C","1998","54","6","757","760","10.1107/S0108270198000900","","","0.71073","MoKα","","0.04","0.029","","0.078","0.072","","","","1.019","1.05","1.05","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007340","7.393","0.002","13.069","0.004","17.855","0.005","90","","90","","90","","1725.1","0.9","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","FULGID-4","ethyl 3,3-dimethyl-2-(3-phenyl-1-indenone-2-yl)acrylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","HA1199","Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark","Ethyl 3,3-Dimethyl-2-(1-oxo-3-phenylinden-2-yl)acrylate","Acta Crystallographica Section C","1998","54","6","849","851","10.1107/S010827019701843X","","","0.71073","MoKα","","0.082","0.063","","0.171","0.149","","","","1.069","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007341","10.456","0.002","11.277","0.002","12.676","0.003","90","","112.4","0.03","90","","1381.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-thienyl)-3-(5-phenyl-2-furyl)propenenitrile","","- C17 H11 N O S -","- C17 H11 N O S -","- C68 H44 N4 O4 S4 -","4","1","JZ1199","Lokaj, Ján; Štetinová, Jarmila; Kada, Rudolf; Kettmann, Viktor; Warda, Salam A.","<i>trans</i>-2-(2-Thienyl)-3-(5-phenyl-2-furyl)propenenitrile","Acta Crystallographica Section C","1998","54","6","787","788","10.1107/S0108270197010585","","","1.54178","CuKα","","0.0681","0.061","","0.1461","0.1415","","","","1.073","1.095","1.095","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007342","13.4806","0.0013","7.6909","0.0006","18.1758","0.0015","90","","90","","90","","1884.4","0.3","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Rubidium-Di-Tantalum-Undeca-Sulfide","","","- Rb4 S11 Ta2 -","- Rb4 S11 Ta2 -","- Rb16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.057","0.035","","0.092","0.085","","","","1.027","1.064","1.064","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007343","13.913","0.004","7.989","0.002","18.327","0.005","90","","90","","90","","2037.1","1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Tetra-Caesium-Di-Tantalum-Undeca-Sulfide","","","- Cs4 S11 Ta2 -","- Cs4 S11 Ta2 -","- Cs16 S44 Ta8 -","4","1","JZ1249","Dürichen, Peter; Bensch, Wolfgang","New Compounds Containing the Complex Anion [Ta~2~S~11~]^4{-^}; <i>A</i>~4~Ta~2~S~11~ (<i>A</i> = Rb, Cs)","Acta Crystallographica Section C","1998","54","6","706","708","10.1107/S0108270197018404","","","0.71073","MoKα","","0.043","0.038","","0.104","0.101","","","","1.07","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007344","7.171","0.001","7.171","0.001","5.944","0.003","90","","90","","120","","264.71","0.14","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Caesium nickel chloride","Caesium nickel(II) chloride'","","- Cl3 Cs Ni -","- Cl3 Cs Ni -","- Cl6 Cs2 Ni2 -","2","0.0833333","JZ1253","Sassmannshausen, Markus; Lutz, Heinz Dieter","Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~","Acta Crystallographica Section C","1998","54","6","704","706","10.1107/S0108270197019598","","","0.71069","MoKα","","0.0164","0.0144","","0.0312","0.0304","","","","1.437","1.465","1.465","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007345","9.224","0.002","9.224","0.002","14.551","0.008","90","","90","","90","","1238","0.8","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","Caesium nickel chloride","Tricaesium nickel(II) chloride","","- Cl5 Cs3 Ni -","- Cl5 Cs3 Ni -","- Cl20 Cs12 Ni4 -","4","0.125","JZ1253","Sassmannshausen, Markus; Lutz, Heinz Dieter","Caesium Nickel(II) Trichloride, CsNiCl~3~, and Tricaesium Nickel(II) Pentachloride, Cs~3~NiCl~5~","Acta Crystallographica Section C","1998","54","6","704","706","10.1107/S0108270197019598","","","0.71069","MoKα","","0.0874","0.0488","","0.1319","0.1115","","","","1.07","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007346","9.172","0.0002","12.2492","0.0003","12.94","0.0003","90.7376","0.0005","104.776","0.0004","101.34","0.0006","1375.24","0.06","293","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 N3 Ni O2 P S -","- C30 H28 N3 Ni O2 P S -","- C60 H56 N6 Ni2 O4 P2 S2 -","2","1","KA1226","Bogdanović, Goran A.; Spasojević-de Biré, Anne; Prelesnik, Bogdan V.; Leovac, Vukadin M.","Transition Metal Complexes with Thiosemicarbazide-Based Ligands. 33. [4-(2-Diphenylphosphino-α-ethoxybenzyl-<i>P</i>)-3-methyl-1-salicylideneisothiosemicarbazido-<i>N</i>^1^,<i>N</i>^4^,<i>O</i>]nickel(II)","Acta Crystallographica Section C","1998","54","6","766","768","10.1107/S0108270197019677","","","0.71073","MoKα","","","0.049","","","0.0986","","","","","1.244","1.244","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007347","7.711","0.002","7.711","0.002","17.076","0.002","90","","90","","90","","1015.3","0.4","293","2","293","2","","","","","","","","6","P 42/m","-P 4c","84","","Trans-dichloro-[(1RS,4RS,5SR,7RS,8SR,11SR,12RS,14SR)-5,7,12,14- tetramethyl-1,4,8,11-tetraazacyclotetradecane]cobalt(III) perchlorate","","- C14 H32 Cl3 Co N4 O4 -","- C14 H32 Cl3 Co N4 O4 -","- C28 H64 Cl6 Co2 N8 O8 -","2","0.25","KA1261","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Liu, Guey-Sung; Chi, Ta-Yung; Chung, Chung-Sun","<i>trans</i>-Dichloro[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]cobalt(III) Perchlorate","Acta Crystallographica Section C","1998","54","6","714","716","10.1107/S0108270197019690","","","0.71073","MoKα","","0.06","0.039","","0.133","0.116","","","","1.318","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007348","24.58","0.002","24.58","0.002","21.5609","0.0011","90","","90","","120","","11281.4","1.4","210","3","210","3","","","","","","","","6","R -3 :H","-R 3","148","","Dodekakis{tris(2-aminoethyl)amin}heptacadmium(II)-perchlorate","","- C72 H216 Cd7 Cl14 N48 O56 -","- C72 H216 Cd7 Cl14 N48 O56.06 -","- C216 H648 Cd21 Cl42 N144 O168.18 -","3","0.166667","LN1016","Klüfers, Peter; Mayer, Peter","A Star-Shaped Heptanuclear Tetramine Cadmium(II) Complex","Acta Crystallographica Section C","1998","54","6","722","725","10.1107/S0108270197019355","","","0.71069","MoKα","","0.045","0.037","","0.098","0.095","","","","1.049","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007349","10.181","0.005","13.047","0.007","14.751","0.007","101.6","0.03","101.9","0.04","99.86","0.05","1831.3","1.7","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N4 O5 Zn -","- C36 H48 N4 O5 Zn -","- C72 H96 N8 O10 Zn2 -","2","1","LN1020","Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard","Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)","Acta Crystallographica Section C","1998","54","6","776","779","10.1107/S0108270197019215","","","0.71073","MoKα","","0.0965","0.0505","","0.1381","0.1166","","","","0.968","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007350","8.817","0.006","9.361","0.007","19.06","0.02","101.48","0.07","99.58","0.09","99.1","0.09","1490","2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H98 Cd N4 O6 -","- C60 H98 Cd N4 O6 -","- C60 H98 Cd N4 O6 -","1","0.5","LN1020","Mickler, Wulfhard; Reich, Annett; Sawusch, Stefan; Schilde, Uwe; Uhlemann, Erhard","Aquabis(3-methyl-4-octanoyl-1-phenyl-5-pyrazolonato-<i>O</i>,<i>O</i>')zinc(II) and Bis(ethanol-<i>O</i>)bis(3-methyl-1-phenyl-4-stearoyl-5-pyrazolonato-<i>O</i>,<i>O</i>')cadmium(II)","Acta Crystallographica Section C","1998","54","6","776","779","10.1107/S0108270197019215","","","0.71073","MoKα","","0.0484","0.042","","0.102","0.0961","","","","0.973","0.983","0.983","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007351","8.514","0.006","19.39","0.012","21.94","0.012","90","","90","","90","","3622","4","301","2","301","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-methyl-r-2,c-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.1405","0.0458","","0.1325","0.1061","","","","1.026","1.301","1.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007352","24.52","0.02","6.369","0.006","22.4","0.02","90","","90","","90","","3498","5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","3-methyl-r-2,t-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","2","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.108","0.058","","0.154","0.1355","","","","1.012","1.124","1.124","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007353","11.739","0.002","10.092","0.002","20.652","0.004","90","","99.53","0.03","90","","2412.9","0.8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-azathioprine-N3,N9)tetrachlorocopper(II) dimethylformamide solvate","","- C15 H21 Cl2 Cu N9 O4 S -","- C30 H42 Cl4 Cu2 N18 O8 S2 -","- C60 H84 Cl8 Cu4 N36 O16 S4 -","2","0.5","LN1050","Zhu, Fu-Chun; Schmalle, Helmut W.; Dubler, Erich","A Dinuclear Complex of the Thiopurine Drug Azathioprine: [Cu~2~Cl~4~(μ-azathioprine)~2~].4DMF","Acta Crystallographica Section C","1998","54","6","773","776","10.1107/S0108270197019203","","","0.71073","MoKα","","0.2391","0.0769","","0.1694","0.1235","","","","1.045","1.223","1.223","","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007354","7.7418","0.0006","20.242","0.003","9.4443","0.0007","90","","109.561","0.006","90","","1394.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Cl2 Co N4 O6 -","- C24 H32 Cl2 Co N4 O6 -","- C48 H64 Cl4 Co2 N8 O12 -","2","0.5","MU1364","Buchanan, Colin; Parsons, Simon; Winpenny, Richard E.P.","<i>trans</i>-Diaquadichlorobis(6-methyl-2-pyridone-<i>O</i>)cobalt(II) Bis(6-methyl-2-pyridone) Solvate","Acta Crystallographica Section C","1998","54","6","762","764","10.1107/S0108270198000523","","","0.71073","MoKα","","0.0835","0.042","","0.079","0.0684","","","","1.026","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007355","9.109","0.001","10.74","0.002","16.04","0.001","90","","99","0.1","90","","1549.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4-Dimethyl-2-[(Z)-(2-N-p-anisyl-3,3,3-trifluoro)propenyl]-2-oxazoline.","","- C15 H17 F3 N2 O2 -","- C15 H17 F3 N2 O2 -","- C60 H68 F12 N8 O8 -","4","1","NA1290","Liu-Gonzalez, Malva; Sanz-Ruíz, Francisco; Navarro-Martinez, Antonio; García de la Torre, Marta; Fustero-Lardies, Santos","2-[(<i>Z</i>)-2-(<i>p</i>-Anisidino)-3,3,3-trifluoropropenyl]-4,4-dimethyl-2-oxazoline","Acta Crystallographica Section C","1998","54","6","875","877","10.1107/S0108270197017228","","","0.71073","MoKα","","0.1614","0.0409","","","","0.1295","","","","","","0.878","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007356","11.905","0.004","12.337","0.003","14.218","0.004","88.17","0.02","80.5","0.03","84.52","0.02","2049.9","1","293","2","293","","","","","","","","","6","P -1","-P 1","2","","tris(tert-butylcyclopentadienyl) praseodymium-μ-bromo-tris(tetrahydrofuran) lithium","","- C39 H63 Br Li O3 Pr -","- C39 H63 Br Li O3 Pr -","- C78 H126 Br2 Li2 O6 Pr2 -","2","1","NA1291","Luo, Yunjie; Yao, Yingming; Shen, Qi; Sun, Jie; Xue, Feng","Tris(<i>tert</i>-butylcyclopentadienyl)praseodymium-μ-bromo-tris(tetrahydrofuran)lithium","Acta Crystallographica Section C","1998","54","6","711","712","10.1107/S0108270197015199","","","0.71069","MoKα","","0.095","0.0388","","0.1108","0.0861","","","","1.099","1.067","1.067","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007357","10.404","0.002","9.743","0.002","19.096","0.003","90","","95.7","0.02","90","","1926.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-ethoxycarbonyl-3,5-dimethyl-cis-2,6-diphenyl piperidin-4-one","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","NA1307","Suresh Kumar, M.; Ponnuswamy, M. N.; Ponnuswamy, S.; Jeyaraman, R.; Paneerselvam, K.; Soriano-Garcia, Manuel","Ethyl 3,5-Dimethyl-4-oxo-<i>cis</i>-2,6-diphenylpiperidine-1-carboxylate","Acta Crystallographica Section C","1998","54","6","870","872","10.1107/S0108270198000201","","","1.54178","CuKα","","0.063","0.05","","0.157","0.138","","","","1.03","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007358","8.5287","0.0001","9.8554","0.0001","18.6719","0.0001","104.195","0.001","95.384","0.001","91.638","0.001","1512.64","0.03","143","","143","2","","","","","","","","4","P -1","-P 1","2","","4-Benzoyl-4-(2-cyano-ethyl)-heptanedinitrile","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","2","NA1313","Bolte, Michael; Scholtyssik, Maria","4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile at 143K","Acta Crystallographica Section C","1998","54","6","852","854","10.1107/S010827019701723X","","","0.71073","MoKα","","0.1355","0.0584","","","","0.1487","","","","","","0.919","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007359","11.218","0.002","7.991","0.002","15.202","0.002","90","","94.95","0.01","90","","1357.7","0.5","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","bis(dimethylglyoximato)[(R)-1-methoxycarbonylethyl] (tricyanoethylphosphine)cobalt(III)","","- C21 H33 Co N7 O6 P -","- C21 H33 Co N7 O6 P -","- C42 H66 Co2 N14 O12 P2 -","2","1","NA1314","Arai, Yoshifusa; Hashizume, Daisuke; Kogo, Hidenori; Ohashi, Yuji; Ohgo, Yoshiaki","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[methyl (<i>R</i>)-ethanoato-<i>C</i>^2^][tris(2-cyanoethyl)phosphine-<i>P</i>]cobalt(III)","Acta Crystallographica Section C","1998","54","6","739","741","10.1107/S0108270197020192","","","0.71069","MoKα","","0.043","0.035","","0.095","0.09","","","","1.05","1.07","1.07","","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007360","9.384","0.002","17.237","0.003","11.307","0.002","90","","94.5","0.03","90","","1823.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyanogold-phosphine","Cyanodi(phenyl)cyclohexylphosphinegold(I)","","- C19 H21 Au N P -","- C19 H21 Au N P -","- C76 H84 Au4 N4 P4 -","4","1","NA1329","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Isab, A.A.","<i>R</i>~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)~3~P}AuCN]","Acta Crystallographica Section C","1998","54","6","716","719","10.1107/S0108270197017198","","","0.71073","MoKα","","0.0789","0.0466","","0.1315","0.1121","","","","1.042","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007361","11.312","0.002","12.996","0.003","13.308","0.003","90","","90","","90","","1956.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyanogold-phosphine","Cyano-tri-(m-tolyl)phosphinegold(I)","","- C22 H21 Au N P -","- C22 H21 Au N P -","- C88 H84 Au4 N4 P4 -","4","1","NA1329","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Isab, A.A.","<i>R</i>~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)~3~P}AuCN]","Acta Crystallographica Section C","1998","54","6","716","719","10.1107/S0108270197017198","","","0.71073","MoKa","","0.0398","0.0325","","0.0905","0.078","","","","1.06","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007362","7.7869","0.0012","9.6947","0.0013","9.849","0.002","93.036","0.014","102.402","0.015","98.478","0.013","715.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-(2'-methoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrole-6a(6H)-carboxylate","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C30 H38 N2 O6 S2 -","2","1","NA1332","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pinho e Melo, T. M. V. D.; Cabral, A. M. T. D. P. V.","Methyl 2-(2-Methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1<i>H</i>-thieno[3,4-<i>b</i>]pyrrole-6a-carboxylate","Acta Crystallographica Section C","1998","54","6","803","805","10.1107/S0108270198000213","","","0.71069","MoKα","","0.046","0.033","","","","0.09","","","","","","1.027","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007363","7.8466","0.0003","13.6602","0.0004","12.2522","0.0005","90","","100.83","0.004","90","","1289.88","0.08","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(di-2-pyridylmethandiol)copper(II) diperchlorate","","- C22 H20 Cl2 Cu N4 O12 -","- C22 H20 Cl2 Cu N4 O12 -","- C44 H40 Cl4 Cu2 N8 O24 -","2","0.5","NA1335","Yang, Guang; Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>O</i>,<i>N</i>')copper(II) Diperchlorate","Acta Crystallographica Section C","1998","54","6","732","734","10.1107/S0108270198000225","","","0.71073","MoKα","","0.057","0.044","","0.131","0.12","","","","1.026","1.057","1.057","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007364","18.317","0.013","14.59","0.007","7.431","0.003","90","","90","","90","","1985.9","1.9","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pyridinium pentachloropyridinemolybdate(III)","","- C15 H17 Cl5 Mo N3 -","- C15 H17 Cl5 Mo N3 -","- C60 H68 Cl20 Mo4 N12 -","4","0.5","NA1339","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-<i>N</i>)molybdate(III)","Acta Crystallographica Section C","1998","54","6","736","738","10.1107/S0108270198000237","","","0.71073","MoKα","","0.095","0.039","","0.042","0.033","","","","1.274","1.459","1.459","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007365","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Modec, Barbara; Papoular, Robert; Brenčič, Jurij V.","Bis(pyridinium) Pentachloro(pyridine-N)molybdate(III)","Acta Crystallographica Section C","1998","54","","736","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007366","7.791","0.001","9.197","0.001","7.688","0.001","95.31","0.01","107.04","0.01","66.98","0.01","484.6","0.11","300","","","","","","","","","","","4","P -1","-P 1","2","","Magnesium bis (dihydrogenorthophosphate) tetrahydrate","","- H12 Mg O12 P2 -","- H12 Mg O12 P2 -","- H24 Mg2 O24 P4 -","2","1","OH1110","Miyake, Michihiro; Matsuda, Nobuyuki; Sato, Shoichi; Matsuda, Motohide; Nakagawa, Souhei; Ochiai, Junko","Mg(H~2~PO~4~)~2~.4H~2~O","Acta Crystallographica Section C","1998","54","6","702","703","10.1107/S0108270198000262","","","0.71069","MoKα","","","0.022","","","","0.033","","","","","","1.88","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007367","11.686","0.008","3.956","0.002","20.404","0.013","90","","106.06","0.07","90","","906.5","1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(1-Methyl-1,2-dihydropyridine-2-iminomethylene)propanedinitrile","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","OS1002","Ján Lokaj; Viktor Kettmann; Viktor Milata; Rudolf Kada; Jordis Ulrich","2-(1-Methyl-1,2-dihydro-2-pyridylideneaminomethylene)propanedinitrile","Acta Crystallographica Section C","1998","54","6","785","787","10.1107/S0108270197017472","","","0.7107","MoKα","","0.1101","0.0502","","0.1303","0.0975","","","","1.004","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007368","10.098","0.002","18.902","0.004","16.71","0.003","90","","90","","90","","3189.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,5-diméthylpyrrolidin-2-yl] phosphonate de diisopropyle","","- C12 H26 N O3 P -","- C12 H26 N O3 P -","- C96 H208 N8 O24 P8 -","8","1","PA1253","Roubaud, Valerie; Siri, Didier; Tordo, Paul; Hdii, Fathia; Reboul, Jean-Pierre","(2,5-Diméthylpyrrolidin-2-yl)phosphonate de Diisopropyle","Acta Crystallographica Section C","1998","54","6","825","827","10.1107/S0108270197008408","","","0.7107","MoKα","","0.05","0.045","","0.09","0.089","","","","1.082","1.426","1.426","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007369","10.904","0.006","13.404","0.006","13.683","0.006","88.97","0.04","69.05","0.04","77.88","0.04","1822.5","1.6","126","2","126","2","","","","","","","","5","P -1","-P 1","2","","7-Nitro-5,10,15,20-tetraphenylporphyrin","","- C45 H31 Cl2 N5 O2 -","- C45 H31 Cl2 N5 O2 -","- C90 H62 Cl4 N10 O4 -","2","1","QA0038","Senge, Mathias O.","7-Nitro-5,10,15,20-tetraphenylporphyrin Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","6","IUC9800022","","10.1107/S0108270198099648","","","0.71073","MoKα","","","0.0597","","","","0.1532","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007370","9.9862","0.0005","12.3722","0.0005","16.0829","0.0007","90","","92.777","0.002","90","","1984.73","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-naphthylamino-2-benzoyl-3-phenyl-3-hydroxy-2-propene-1-one","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","QA0039","Sema Öztürk; Hoong-Kun Fun; Mehmet Akkurt; Mehmet Sönmez; Kandasamy Chinnakali","2-Benzoyl-3-hydroxy-1-naphthylamino-3-phenyl-2-propen-1-one","Acta Crystallographica Section C","1998","54","6","IUC9800023","","10.1107/S0108270198099636","","","0.71073","MoKα","","0.1538","0.0667","","0.1555","0.1192","","","","1.033","1.143","1.143","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007371","5.013","0.003","6.915","0.003","9.271","0.004","90","","90","","90","","321.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ethane-1,2-diol","Ethane-1,2-diol","","- C2 H6 O2 -","- C2 H6 O2 -","- C8 H24 O8 -","4","1","QA0040","Boese, Roland; Weiss, Hans-Christoph","1,2-Ethanediol (Ethylene Glycol) at 130K","Acta Crystallographica Section C","1998","54","6","IUC9800024","","10.1107/S0108270198099624","","","0.71073","MoKα","","0.0544","0.0527","","0.1284","0.1254","","","","1.121","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007372","8.5553","0.0011","9.2494","0.0011","9.3431","0.0008","66.011","0.009","72.016","0.009","86.618","0.01","640.58","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethylenetriammonium oxalate hydrate (2:3:4)","","- C14 H40 N6 O16 -","- C14 H40 N6 O16 -","- C14 H40 N6 O16 -","1","0.5","QB0014","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bonding in Two Forms of Bis(diethylenetriammonium) Trioxalate Tetrahydrate","Acta Crystallographica Section C","1998","54","6","IUC9800025","","10.1107/S0108270198099612","","","0.71069","MoKα","","0.0547","0.0341","","","","0.103","","","","","","0.912","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007373","19.3069","0.0016","6.6698","0.0009","12.0449","0.0009","90","","120.166","0.007","90","","1341","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethylenetriammonium oxalate hydrate (2:3:4)","","- C14 H40 N6 O16 -","- C14 H36 N6 O16 -","- C28 H72 N12 O32 -","2","0.5","QB0014","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bonding in Two Forms of Bis(diethylenetriammonium) Trioxalate Tetrahydrate","Acta Crystallographica Section C","1998","54","6","IUC9800025","","10.1107/S0108270198099612","","","0.71073","MoKα","","0.1548","0.0627","","","","0.2179","","","","","","0.967","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2007374","10.235","0.004","8.6448","0.0012","10.495","0.002","90","","118.586","0.015","90","","815.4","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce H2 O9 Rb S2 -","- Ce H2 O9 Rb S2 -","- Ce4 H8 O36 Rb4 S8 -","4","1","QB0042","Robinson, Paul D.; Jasty, Shashi","Rubidium Cerium Sulfate Monohydrate, RbCe(SO~4~)~2~.H~2~O","Acta Crystallographica Section C","1998","54","6","IUC9800021","","10.1107/S010827019809965X","","","0.71069","MoKα","","0.023","0.0191","","","","0.0507","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007375","12.984","0.002","6.893","0.001","17.224","0.002","90","","90","","90","","1541.5","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","0.5","SK1089","Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz; Büyükgüngör, Orhan; Erdönmez, Ahmet","3-<i>tert</i>-Butyl-2hydroxy-5-methoxyazobenzene","Acta Crystallographica Section C","1998","54","6","859","860","10.1107/S0108270198000286","","","0.71069","MoKα","","0.0792","0.044","","0.113","0.1032","","","","1.055","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007376","13.0786","0.0008","12.174","0.0007","9.9027","0.0009","90","","94.354","0.008","90","","1572.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2,4-dimethylpyridine((N-salicylideneglycinato)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C64 H72 Cu4 N8 O16 -","4","1","SK1096","Warda, Salam A.","Aqua(2,4-dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","6","768","770","10.1107/S0108270197019367","","","0.71073","MoKα","","0.0507","0.0373","","0.101","","","","","1.075","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007377","10.9539","0.0012","8.1317","0.0011","17.9391","0.0014","90","","105.566","0.004","90","","1539.3","0.3","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N3 Ni O2 -","- C19 H13 N3 Ni O2 -","- C76 H52 N12 Ni4 O8 -","4","1","SK1106","Ülkü, Dinçer; Tahir, M. Nawaz; Nazır, Hasan; Yilmaz, Hamza","[2,3-Bis(salicylideneamino-<i>O</i>,<i>N</i>)pyridinato]nickel(II)","Acta Crystallographica Section C","1998","54","6","725","726","10.1107/S0108270197019379","","","0.71073","MoKα","","","0.052","","","0.056","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007378","10.817","0.002","12.908","0.003","14.08","0.003","105.13","0.03","105.77","0.04","103.46","0.04","1726","1","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","(Nitrito-O,O')bis(triphenylphosphine)silver(I)‒dichloromethane","","- C37 H32 Ag Cl2 N O2 P2 -","- C37 H32 Ag Cl2 N O2 P2 -","- C74 H64 Ag2 Cl4 N2 O4 P4 -","2","1","SK1123","Belaj, Ferdinand; Trnoska, Andreas; Nachbaur, Edgar","(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I) Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","6","727","728","10.1107/S0108270197020039","","","0.71069","MoKα","","0.06","0.047","","0.134","0.122","","","","1.044","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007379","9.168","0.001","9.313","0.003","16.59","0.009","90","","105.88","0.02","90","","1362.4","0.9","295","1","295","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenz[c,e]azepine","±-6,7-Dihydro-1,6,11-trimethyl-5H-dibenz[c,e]azepine","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","SK1156","Mrvoš-Sermek, Draginja; Lončar-Tomašković, Linda; Hergold-Brundić, Antonija; Mintas, Mladen; Nagl, Ante","(±)-6,7-Dihydro-1,6,11-trimethyl-5<i>H</i>-dibenz[<i>c</i>,<i>e</i>]azepine","Acta Crystallographica Section C","1998","54","6","877","879","10.1107/S0108270198000936","","","0.71073","MoKα","","0.0814","0.046","","0.146","0.1232","","","","1.028","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007380","8.003","0.005","11.253","0.005","18.461","0.005","90","0.005","90","0.005","90","0.005","1662.6","1.4","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((1S)-1-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-2- nitropropyl) malonate","","- C14 H23 N O8 -","- C14 H23 N O8 -","- C56 H92 N4 O32 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.052","0.052","","","","0.124","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007381","10.693","0.001","8.446","0.001","11.992","0.001","90","","101.268","0.005","90","","1062.16","0.18","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (3S)-2-acetyl-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl- (phenylsulfonyl) pentanoate","","- C20 H28 O8 S -","- C20 H28 O8 S -","- C40 H56 O16 S2 -","2","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.032","0.03","","","","0.077","","","","","","1.083","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007382","7.3201","0.0001","10.719","0.001","19.39","0.001","90","0.006","90","0.004","90","0.005","1521.42","0.16","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl (3S)-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethylcyclopropane-1,1-dicarboxylate","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.054","0.049","","","","0.142","","","","","","1.082","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007383","11.17","0.005","12.181","0.004","9.366","0.004","90.75","0.04","105.24","0.04","112.92","0.03","1122.9","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Irbesartan","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C50 H56 N12 O2 -","2","1","SX1039","Böcskei, Zsolt; Simon, Kálmán; Rao, Renée; Caron, Antoine; Rodger, Charles A.; Bauer, Michel","Irbesartan Crystal Form B","Acta Crystallographica Section C","1998","54","6","808","810","10.1107/S0108270197019884","","","1.5418","CuKα","","0.077","0.062","","0.204","0.17","","","","1.029","1.06","1.06","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007384","7.554","0.0008","7.3473","0.0006","11.8146","0.0011","90","","107.148","0.008","90","","626.58","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","desmethyl selegiline","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C24 H32 Cl2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.095","0.077","","0.256","0.218","","","","1.156","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007385","7.481","0.002","7.447","0.002","11.8743","0.0009","90","","107.48","0.009","90","","631","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","p-fluoro-dezmethyl-selegiline","","","- C12 H15 Cl F N -","- C12 H15 Cl F N -","- C24 H30 Cl2 F2 N2 -","2","1","SX1040","Simon, Kálmán; Harmat, Veronika; Hermecz, István","Isostructural Metabolites of Two Anti-Parkinson Drugs","Acta Crystallographica Section C","1998","54","6","811","813","10.1107/S0108270197019896","","","1.54178","CuKα","","0.078","0.06","","0.184","0.166","","","","1.108","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007386","11.922","0.001","18.963","0.002","12.826","0.001","90","","90.83","0.01","90","","2899.4","0.5","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","8-Chloro-5-(4-chlorophenyl)-5H-indeno[1,2d]pyrimidine","","- C17 H10 Cl2 N2 -","- C17 H10 Cl2 N2 -","- C136 H80 Cl16 N16 -","8","2","SX1053","Caruso, Francesco; Rossi, Miriam","8-Chloro-5-(4-chlorophenyl)-5<i>H</i>-indeno-[1,2-<i>d</i>]pyrimidine","Acta Crystallographica Section C","1998","54","6","842","844","10.1107/S0108270198000572","","","1.54178","CuKα","","0.044","0.044","","0.056","0.056","","","","0.986","0.986","0.986","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2007387","13.068","0.003","13.715","0.003","14.312","0.003","84.48","0.02","65.25","0.02","86.76","0.02","2318.3","1","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","(Dicyclohexylammonium succinatotributylstannate)^.^1/2(dicyclohexylammonium succinate) hydrate","","- C84 H166 N4 O14 Sn2 -","- C84 H166 N4 O14 Sn2 -","- C84 H166 N4 O14 Sn2 -","1","0.5","SX1058","Ng, Seik Weng; Holeček, Jaroslav","2[(C~6~H~11~)~2~NH~2~]^+^.[Sn(O~2~CCH~2~CH~2~CO~2~)(C~4~H~9~)~3~]^{-^}.1/2(O~2~CCH~2~CH~2~CO~2~)^2{-^}.H~2~O, an Organostannate Consisting of Linear Polyanionic Tributyl(succinato)stannate Chains Hydrogen Bonded into Layers by a [Tetrakis(dicyclohexylammonium) Succinate Dihydrate] Dicationic Network","Acta Crystallographica Section C","1998","54","6","750","752","10.1107/S010827019701888X","","","0.71073","MoKα","","0.1292","0.069","","0.1602","0.1255","","","","1.032","1.079","1.079","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007388","9.535","0.002","19.225","0.002","9.76","0.002","90","","102.98","0.01","90","","1743.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(triphenyltin) succinate","μ-Succinatobis(triphenyltin)","","- C40 H34 O4 Sn2 -","- C40 H34 O4 Sn2 -","- C80 H68 O8 Sn4 -","2","0.5","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0504","0.0366","","0.0941","0.0869","","","","1.127","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007389","14.206","0.002","15.777","0.001","20.198","0.002","67.565","0.006","74.546","0.008","70.904","0.008","3901.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","[Bis(triphenyltin) succinate]^.^[bis(triphenyltin) succinate^.^sesqui(dimethylsulfoxide)^.^hemiethanol]","","- C84 H80 O10 S1.5 Sn4 -","- C84 H80 O10 S1.5 Sn4 -","- C168 H160 O20 S3 Sn8 -","2","1","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0549","0.0373","","0.101","0.09","","","","1.041","1.053","1.053","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007390","12.488","0.001","14.068","0.002","14.182","0.004","72.11","0.02","81.76","0.02","78.55","0.01","2314.8","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[bis(triphenyltin) succinate][bis(triphenyltin) succinate^.^2HMPA]","[μ-succinatobis(triphenyltin)]^.^[μ- succinatobis(triphenyltin)^.^bis(hexamethylphosphoramide)]","","- C92 H104 N6 O10 P2 Sn4 -","- C92 H104 N6 O10 P2 Sn4 -","- C92 H104 N6 O10 P2 Sn4 -","1","0.5","SX1059","Ng, Seik Weng","Bis(triphenyltin) Succinate and its Complex with Dimethyl Sulfoxide and Ethanol, and its Complex with Hexamethylphosphoramide","Acta Crystallographica Section C","1998","54","6","745","750","10.1107/S0108270197018908","","","0.71073","MoKα","","0.0509","0.0417","","0.1167","0.1092","","","","1.06","1.085","1.085","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007391","12.442","0.002","12.516","0.003","22.163","0.005","88.01","0.06","78.48","0.03","77.88","0.01","3306.3","1.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","Bis[1,1,3,3-tetrabutyl-1,3-bis(picolinato-N-oxide)distannoxane] hydrate","","","- C56 H90 N4 O15 Sn4 -","- C56 H90 N4 O15 Sn4 -","- C112 H180 N8 O30 Sn8 -","2","1","SX1060","Ng, Seik Weng","Octabutyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-bis-μ~3~-oxo-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-tetrakis[μ-(2-pyridinecarboxylato <i>N</i>-oxide)]-1κ^2^<i>O</i>,<i>O</i>':2κ<i>O</i>;2κ<i>O</i>:3κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>':4κ<i>O</i>;1κ^2^<i>O</i>,<i>O</i>':4κ<i>O</i>-tetratin Hydrate","Acta Crystallographica Section C","1998","54","6","752","755","10.1107/S010827019701891X","","","0.71073","MoKα","","0.0786","0.0486","","0.1331","0.1216","","","","0.9","1.035","1.035","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007392","5.7473","0.0003","7.6109","0.0007","9.0705","0.0009","70.19","0.008","85.259","0.006","78.188","0.006","365.34","0.06","296","","","","","","","","","","","3","P 1","P 1","1","","","","- C15 H22 O5 -","- C15 H21.92 O5 -","- C15 H21.92 O5 -","1","1","SX1065","Thalji, Reema K.; Pentes, Howard G.; Fischer, Nikolaus H.; Fronczek, Frank R.","8-Desacetoxy-11β<i>H</i>,13-dihydroperoxyferolide, a Sesquiterpene Lactone Hydroperoxide","Acta Crystallographica Section C","1998","54","6","861","863","10.1107/S0108270197020088","","","1.54184","CuKα","","","0.04","","","0.054","","","","","1.94","1.94","","","","","has coordinates","208347","2020-10-21","18:00:00",""
"2007393","17.789","0.004","16.927","0.005","11.751","0.002","90","","101.18","0.02","90","","3471.2","1.4","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","racemic-1,1,6,6-tetramethyl-1,6-distannatetranaphtho [2,1-b;1',2'-d;2"",1""-g;1""',2""'-i]cyclodeca-2,4,7,9-tetraene","","- C44 H36 Sn2 -","- C44 H36 Sn2 -","- C176 H144 Sn8 -","4","1","TA1135","Tani, Kazuhide; Yamagata, Tsuneaki; Hironori Tashiro","Racemic 1,1,6,6-Tetramethyl-1,6-distannatetranaphtho[2,1-<i>b</i>;1',2'-<i>d</i>;2'',1''-<i>g</i>;1''',2'''-<i>i</i>]cyclodeca-2,4,7,9-tetraene","Acta Crystallographica Section C","1998","54","6","755","757","10.1107/S0108270197007750","","","0.71069","MoKα","","0.126","0.057","","0.086","0.071","","","","0.842","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007394","17.492","0.004","10.839","0.002","5.753","0.001","90","","90","","90","","1090.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 Se2 -","- C10 H8 N2 Se2 -","- C40 H32 N8 Se8 -","4","1","TA1189","Dunne, Simon, J.; von Nagy-Felsobuki, Ellak, I.; Mackay, Maureen, F.","An Orthorhombic Polymorph of 2,2'-Dipyridyl Diselenide","Acta Crystallographica Section C","1998","54","6","887","889","10.1107/S0108270197018118","","","1.5418","CuKα","","0.0331","0.0321","","0.0878","0.0867","","","","1.108","1.124","1.124","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007395","16.964","0.003","18.972","0.004","21.063","0.003","90","","90","","90","","6779","2","298","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","O,O'-trifluoroacetatobis(triphenylphosphine)silver(I)","","- C38 H30 Ag F3 O2 P2 -","- C38 H30 Ag F3 O2 P2 -","- C304 H240 Ag8 F24 O16 P16 -","8","1","TA1203","Ng, Seik Weng","(Trifluoroacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1998","54","6","743","744","10.1107/S0108270198000304","","","0.71073","MoKα","","0.0796","0.066","","0.133","0.1275","","","","1.334","1.38","1.38","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007396","18.4645","0.0009","8.0647","0.0006","21.9392","0.0009","90","","90","","90","","3267","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(2-pyridyl)-4-p-bromophenyl-1,2,4-triazole","","- C18 H12 Br N5 -","- C18 H12 Br N5 -","- C144 H96 Br8 N40 -","8","1","TA1205","Chen, Wei; Wang, Z. X.; Jian, F. F.; Bai, Z. P.; You, X. Z.","4-(<i>p</i>-Bromophenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","6","851","852","10.1107/S0108270198000316","","","0.71073","MoKα","","0.127","0.059","","0.121","0.103","","","","0.925","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007397","15.575","0.005","8.455","0.005","22.745","0.005","90","","90","","90","","2995","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(Bis(pyridine-2-ylmethyl)amine)iron(III)chloride","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","VJ1072","K. R. Justin Thomas; Marappan Velusamy; Mallayan Palaniandavar","A Polymorph of Bis(2-pyridylmethyl)amine Iron(III) Chloride","Acta Crystallographica Section C","1998","54","6","741","743","10.1107/S0108270197016624","","","0.71073","MoKα","","0.0525","0.0332","","0.1475","0.0863","","","","1.109","0.986","0.986","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007398","8.42","0.0007","12.908","0.002","7.9874","0.0009","94.902","0.011","93.311","0.008","104.834","0.008","833.25","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Chloro(2,3-dimethylbutane-2,3-diolato-O,O'(2-))(2,3-dimethylbutane-2,3- diolato-O,O'-(1-))oxotungsten(VI)","","- C12 H25 Cl O5 W -","- C12 H25 Cl O5 W -","- C24 H50 Cl2 O10 W2 -","2","1","AB1506","Lehtonen, Ari; Sillanpää, Reijo","Chloro[2,3-dimethylbutane-2,3-diolato(2 ‒)-<i>O</i>,<i>O</i>'][2,3-dimethylbutane-2,3-diolato(1 ‒)-<i>O</i>,<i>O</i>']oxotungsten(VI)","Acta Crystallographica Section C","1998","54","7","935","937","10.1107/S0108270198000705","","","0.71069","MoKα","","0.024","0.02","","0.045","0.045","","","","1.096","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007399","6.739","0.001","10.731","0.001","11.606","0.001","100.96","0.001","98.01","0.001","105.11","0.01","779.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","AB1522","Puviarasan, Krishnan.; Govindasamy, Lakshmanan.; Velmurugan, Devadesan.; Shanmuga Sundara Raj, Sivanantha Perumal.; Shanmuga sundaram, Muthian.; Raghunathan, Raghavachary.; Hoong-Kun Fun","3-Phenylspiro[bicyclo[2.2.1]hept-5-ene-2,3'-chroman]-4'-one","Acta Crystallographica Section C","1998","54","7","961","963","10.1107/S0108270198000110","","","0.71073","MoKα","","0.0561","0.0415","","","","0.1298","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007400","14.8109","0.0004","9.6159","0.0003","12.2536","0.0004","90","","91.705","0.001","90","","1744.39","0.09","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-ethylene-bis(salicylideneaminato)-nitrido-chromium(V)","","- C17 H17 Cr N4 O4 -","- C17 H17 Cr N4 O4 -","- C68 H68 Cr4 N16 O16 -","4","1","AB1529","Jesper Bendix; Scott R. Wilson; Teresa Prussak-Wieckowska","The Improved Synthesis of [Cr(N)(salen)].CH~3~NO~2~","Acta Crystallographica Section C","1998","54","7","923","925","10.1107/S0108270198000870","","","0.71073","MoKα","","0.06","0.042","","0.108","0.094","","","","1.116","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007401","16.886","0.003","12.481","0.002","11.521","0.002","90","","90","","90","","2428.1","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","bis-(μ-(3,4-dimethylphospholyl))-octacarbonyl-dimanganese","","- C20 H16 Mn2 O8 P2 -","- C20 H16 Mn2 O8 P2 -","- C80 H64 Mn8 O32 P8 -","4","","AB1530","Flörke, Ulrich; Krampe, Olaf; Haupt, Hans-Jürgen","Bis(μ-3,4-dimethylphosphol-1-yl)bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1998","54","7","918","920","10.1107/S0108270198001036","","","0.71073","MoKα","","0.0543","0.0345","","0.0932","","0.0745","","","1.063","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007402","23.437","0.003","11.8595","0.0013","17.898","0.002","90","","97.418","0.01","90","","4933.1","1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,17-Dinitro-11,23-diphthalimido-25,26,27,28-tetrapropoxycalix[4]arene","","- C56 H52 N4 O12 -","- C56 H52 N4 O12 -","- C224 H208 N16 O48 -","4","0.5","AB1536","Spek, Anthony L.; Boerrigter, Harold; Verboom, Willem; Reinhoudt, David N.","5,17-Dinitro-11,23-diphthalimido-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section C","1998","54","7","1023","1025","10.1107/S0108270198001516","","","0.71073","MoKα","","0.095","0.05","","","","0.117","","","","","","1.004","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007403","10.01","0.002","10.737","0.002","10.512","0.002","90","","99.41","0.01","90","","1114.6","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenanthrene-4-carboxylic acid","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.049","","0.114","","0.114","","","","","","1.19","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007404","16.065","0.003","16.534","0.002","8.632","0.002","90","","90","","90","","2292.8","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-dihydrophenanthrene-4-carboxylic acid","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.043","","0.104","","0.104","","","1.25","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007405","8.574","0.001","30.57","0.009","7.0473","0.0008","90","","100.53","0.01","90","","1816","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","BK1361","S. Selladurai; R. Chandrasekaran; L. Govindasamy; Il-Hwan Suh","9-(4-Dimethylaminophenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1998","54","7","957","959","10.1107/S0108270198001401","","","0.71069","MoKα","","0.116","0.049","","0.291","","0.291","","","1.616","","","1.091","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007406","28.048","0.002","7.9501","0.0014","13.6096","0.001","90","","90","","90","","3034.7","0.6","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C22 H52 Cl4 N4 O12 Pd4 S7 -","- C44 H104 Cl8 N8 O24 Pd8 S14 -","2","0.5","BM1182","Chen, Xiao-hua; Zhu, Long-gen; Duan, Chun-ying; Liu, Yong-jiang; Kostic, Nenad M.","A Tetranuclear Complex of Palladium(II) with Cysteine","Acta Crystallographica Section C","1998","54","7","909","911","10.1107/S0108270198001012","","","0.71073","MoKα","","0.1136","0.0668","","0.2384","0.1713","","","","1.204","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007407","14.574","0.008","6.5096","0.0016","10.103","0.005","90","","109.82","0.04","90","","901.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,4a,5,6,7,8,8a-octahydro-8a-hydroxy-2-quinolone","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","BM1184","Stefano Alini; Attilio Citterio; Alessandra Farina; Maria Cristina Fochi; Luciana Malpezzi","3,4,4a,5,6,7,8,8a-Octahydro-8a-hydroxy-2-quinolone and its 8a-Hydroperoxy Derivative","Acta Crystallographica Section C","1998","54","7","1000","1003","10.1107/S0108270198001565","","","1.54178","CuKα","","0.034","0.037","","","0.105","0.107","","","","","","1.07","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007408","6.912","0.001","10.905","0.002","12.848","0.002","90","","102.62","0.01","90","","945","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,4a,5,6,7,8,8a-octahydro-8a-hydroperoxy-2-quinolone","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","BM1184","Stefano Alini; Attilio Citterio; Alessandra Farina; Maria Cristina Fochi; Luciana Malpezzi","3,4,4a,5,6,7,8,8a-Octahydro-8a-hydroxy-2-quinolone and its 8a-Hydroperoxy Derivative","Acta Crystallographica Section C","1998","54","7","1000","1003","10.1107/S0108270198001565","","","1.54178","CuKα","","0.055","0.044","","","0.119","0.127","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007409","9.554","0.001","10.401","0.001","12.999","0.001","71.92","0.01","70.72","0.01","74.95","0.01","1141.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C60 H44 N4 O4 -","2","1","BM1201","Puviarasan, K.; Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun; Shanmuga Sundaram, M.; Raghunathan, R.","1,3,4,8-Tetraphenyl-7-oxa-1,2-diazaspiro[4.4]nona-2,8-dien-6-one","Acta Crystallographica Section C","1998","54","7","959","961","10.1107/S0108270197020180","","","0.71073","MoKα","","0.0812","0.0407","","","","0.1141","","","","","","0.783","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007410","11.999","0.002","15.45","0.002","13.197","0.002","90","","90","","90","","2446.5","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ferrocenium μ-bromo-bis(dibromodimethylstannate(IV))","","- C14 H22 Br5 Fe Sn2 -","- C14 H22 Br5 Fe Sn2 -","- C56 H88 Br20 Fe4 Sn8 -","4","0.5","BM1212","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Chinnakali, Kandasamy","Ferrocenium μ-Bromo-bis[dibromodimethylstannate(IV)]","Acta Crystallographica Section C","1998","54","7","912","914","10.1107/S0108270198002352","","","0.71073","MoKα","","0.2","0.043","","0.107","0.081","","","","0.704","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007411","10.7138","0.0011","11.5397","0.0014","18.747","0.003","90","","90","","90","","2317.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 5-deoxy-5-C-[(iododiphenylstannyl)methyl]-2,3-O-isopropylidene -α-D-lyxofuranoside","","- C22 H27 I O4 Sn -","- C22 H27 I O4 Sn -","- C88 H108 I4 O16 Sn4 -","4","1","BM1215","Charles C. C. Chibesakunda; Philip J. Cox; Helena Rufino; James L. Wardell","Methyl 5-Deoxy-5-<i>C</i>-[(iododiphenylstannyl)methyl]-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-lyxofuranoside","Acta Crystallographica Section C","1998","54","7","925","927","10.1107/S0108270198001413","","","0.71073","MoKα","","0.04","0.038","","","","0.093","","","","","","1.12","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007412","7.638","0.008","10.885","0.012","10.845","0.012","60.832","0.01","69.164","0.01","79.24","0.01","735.7","1.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tri-2-pyridyl-1,3,5-Triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C36 H24 N12 -","2","1","BM1223","Drew, Michael G. B.; Hudson, Michael J.; Iveson, Peter B.; Russell, Mark L.; Madic, Charles","2,4,6-Tris(2-pyridyl)-1,3,5-triazine","Acta Crystallographica Section C","1998","54","7","985","987","10.1107/S0108270198001929","","","0.71073","MoKα","","0.058","0.05","","","","0.159","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007413","8.052","0.003","6.632","0.005","9.815","0.002","90","","90","","90","","524.1","0.5","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- As Li3 S3 -","- As Li3 S3 -","- As4 Li12 S12 -","4","1","BR1180","Seung,Do-Young; Gravereau,Pierre; Trut,Louis; Levasseur,Alain","Li~3~AsS~3~","Acta Crystallographica Section C","1998","54","7","900","902","10.1107/S0108270198001103","","","0.7107","MoKα","","","0.051","","","","0.1017","","","","","","1.182","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007415","15.6684","0.0008","15.6684","0.0008","3.829","0.001","90","","90","","90","","940","0.3","298","","298","","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium arsenic pentacosaoxide,","","- As Nb9 O25 -","- As Nb9 O25 -","- As2 Nb18 O50 -","2","0.125","BR1199","Ulutagay, Mutlu; Schimek, George L.; Hwu, Shiou-Jyh","A Niobium(V) Arsenate: Nb~9~AsO~25~","Acta Crystallographica Section C","1998","54","7","898","900","10.1107/S0108270198000134","","","0.71073","MoKα","","0.0295","0.0259","","0.0528","0.0522","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007416","9.728","0.002","10.556","0.002","9.499","0.003","108.59","0.02","93.55","0.02","102.414","0.015","893.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Br2.5 Cl1.5 O2 P2 Re -","- C36 H30 Br2.52 Cl1.52 O2 P2 Re -","- C36 H30 Br2.52 Cl1.52 O2 P2 Re -","1","0.5","CF1176","Harben, Spencer M.; Smith, Paul D.; Beddoes, Roy L.; Helliwell, Madeleine; Collison, David; Garner, C. David","Mixed-halide Complex <i>trans</i>-Tetrahalobis(triphenylphosphine oxide)rhenium(IV)","Acta Crystallographica Section C","1998","54","7","941","943","10.1107/S0108270197018027","","","1.54178","CuKα","","0.056","0.052","","0.148","0.1411","","","","1.095","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007417","8.483","0.001","19.174","0.003","7.1793","0.0008","90","","90","","90","","1167.7","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","CF1221","Graham, Duncan; Kennedy, Alan R.","7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline","Acta Crystallographica Section C","1998","54","7","978","980","10.1107/S0108270198001577","","","0.71069","MoKα","","0.076","0.036","","0.047","0.041","","","","","1.22","1.22","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007418","9.023","0.0005","17.894","0.002","24.469","0.002","90","","90","","90","","3950.7","0.6","299","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α-(3'-furyl)-4β,4aβ-epoxy-5,8aα-dimethyl-3-oxohexahydro- 1H-2-benzopyran","","- C15 H16 O4 -","- C15 H16 O4 -","- C180 H192 O48 -","12","3","DA1000","Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H.","Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i>","Acta Crystallographica Section C","1998","54","7","950","952","10.1107/S0108270197015151","","","1.54184","CuKα","","","0.052","","","0.044","","","","","1.557","1.557","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2007419","11.159","0.002","16.21","0.003","16.807","0.003","87.58","0.03","81.48","0.03","80.65","0.03","2966.2","1","295","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H79 N3 O11 -","- C68 H79 N3 O11 -","- C136 H158 N6 O22 -","2","1","DA1004","Nachtigall, Francine F.; Vencato, Ivo; Lazzarotto, Márcio; Nome, Faruk","Calix[4]arene Piperidinium Salt","Acta Crystallographica Section C","1998","54","7","1007","1010","10.1107/S0108270197019197","","","0.71073","MoKα","","0.1065","0.0567","","","","0.1917","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007420","5.0283","0.0003","8.0427","0.0005","16.03","0.001","90","","90","","90","","648.27","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Lithium Ethylene Glyconate","mono lithium ethylene glyconate","","- C2 H5 Li O2 -","- C2 H5 Li O2 -","- C16 H40 Li8 O16 -","8","1","DA1011","Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley","Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)","Acta Crystallographica Section C","1998","54","7","937","939","10.1107/S0108270198002121","","","0.71069","MoKα","","","0.036","","","0.055","","","","","1.63","1.63","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007421","12.704","0.002","15.788","0.004","16.676","0.002","90","","107.7","0.01","90","","3186.4","1","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C152 H144 N16 O8 -","8","2","DE1064","R.V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal","Racemic 1-Acetyl-5-phenyl-3-styryl-2-pyrazoline","Acta Crystallographica Section C","1998","54","7","976","978","10.1107/S0108270198000146","","","0.71073","MoKα","","0.118","0.07","","0.148","0.135","","","","1.284","1.547","1.547","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007422","10.25","0.004","19.183","0.005","10.077","0.005","90","","99.05","0.03","90","","1956.7","1.3","288","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F2 N O6 S2 -","- C17 H16 Cl F2 N O6 S2 -","- C68 H64 Cl4 F8 N4 O24 S8 -","4","1","DE1071","Masakazu Sato; Keita Matsumoto; Yutaka Kawashima; Kazuyuki Tomisawa","Methyl Ester of the Bioactive Metabolite of Thromboxane A2 Receptor Antagonist ON-579","Acta Crystallographica Section C","1998","54","7","982","984","10.1107/S0108270198000158","","","1.5418","CuKα","","","0.052","","","0.048","","","","","3.267","3.267","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007423","6.87","0.002","20.711","0.002","8.526","0.001","90","","100.69","0.01","90","","1192.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine","(±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","1","DE1077","Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi","A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond","Acta Crystallographica Section C","1998","54","7","980","982","10.1107/S010827019800016X","","","1.5418","CuKα","","0.069","0.052","","0.143","0.134","","","","2.098","2.259","2.259","","","","","has coordinates,has disorder","194474","2020-10-21","18:00:00",""
"2007424","16.603","0.005","6.743","0.001","12.136","0.005","90","","130.77","0.02","90","","1029","0.6","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C11 H18 N2 -","- C11 H18 N2 -","- C44 H72 N8 -","4","1","FG1368","Jordan, Richard F.; Black, David G.; Swenson, Dale C.","(5a<i>R</i>,9a<i>R</i>)-2,4-Dimethyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section C","1998","54","7","1030","1033","10.1107/S0108270198001279","","","0.7107","MoKα","","0.0577","0.0439","","0.1092","0.103","","","","1.041","1.082","1.082","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007425","8.57","0.002","12.4127","0.0015","14.549","0.002","90","","106.502","0.015","90","","1483.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone","","- C35 H37 N O3 -","- C35 H37 N O3 -","- C70 H74 N2 O6 -","2","1","FG1426","Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","<i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide‒Acetone: a Novel 1:1 Cavitate","Acta Crystallographica Section C","1998","54","7","1013","1016","10.1107/S0108270198001280","","","0.71069","MoKα","","0.1349","0.0381","","0.1256","","0.0922","","","1.012","1.145","1.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007426","9.5604","0.0015","18.2218","0.0017","12.782","0.003","90","","107.536","0.017","90","","2123.2","0.7","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Doxylamine tetrachlorozincate(II)","","","- C17 H24 Cl4 N2 O Zn -","- C17 H24 Cl4 N2 O Zn -","- C68 H96 Cl16 N8 O4 Zn4 -","4","1","FG1429","Parvez, Masood; Sabir, Aaliya P.","Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","7","933","935","10.1107/S0108270198001292","","","1.54178","CuKα","","0.0654","0.0429","","","","0.1099","","","","","","1.001","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007427","9.5279","0.0012","18.229","0.003","12.7795","0.0013","90","","107.313","0.009","90","","2119","0.5","170","1","170","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Doxylamine tetrachlorocobaltate(II)","","","- C17 H24 Cl4 Co N2 O -","- C17 H24 Cl4 Co N2 O -","- C68 H96 Cl16 Co4 N8 O4 -","4","1","FG1429","Parvez, Masood; Sabir, Aaliya P.","Doxylaminium Tetrachlorozincate(II) and Doxylaminium Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","7","933","935","10.1107/S0108270198001292","","","0.71069","MoKα","","0.215","0.0484","","","","0.1673","","","","","","0.953","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007428","9.8769","0.0001","9.8769","0.0001","35.3642","0.0002","90","","90","","90","","3449.89","0.05","223","2","223","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C20 H18 N3 O -","- C20 H18 N3 O -","- C160 H144 N24 O8 -","8","1","FR1077","George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.","2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","7","1033","1036","10.1107/S0108270197018398","","","0.71073","MoKα","","0.0784","0.0504","","0.1175","0.103","","","","1.043","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007429","10.598","0.002","7.5746","0.001","19.053","0.004","90","","103.026","0.011","90","","1490.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C60 H56 N8 O4 S8 -","4","1","FR1077","George, Mathew; Das, Suresh; Ashokan, C. V.; Rath, Nigam P.; George, M. V.","2-Phenyl-3-(5,6,7,7a-tetrahydro-1<i>H</i>,3<i>H</i>-pyrrolo[1,2-<i>c</i>]oxazol-3-ylidene)-1-propene-1,1-dicarbonitrile and 4-(4-Methoxyphenyl)-2,6-bis(methylthio)pyridine-3-carbonitrile","Acta Crystallographica Section C","1998","54","7","1033","1036","10.1107/S0108270197018398","","","0.71073","MoKα","","0.0981","0.0495","","0.1136","0.0944","","","","1.015","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007430","7.425","0.002","9.568","0.003","14.035","0.004","90","","97.13","0.02","90","0.02","989.4","0.5","163","1","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-Dimethyltetrathiafulvalene","","- C8 H8 S4 -","- C8 H8 S4 -","- C32 H32 S16 -","4","1","FR1086","Uzelmeier, Calvin E.; Fourmigué, Marc; Dunbar, Kim R.","3,4-Dimethyltetrathiafulvalene","Acta Crystallographica Section C","1998","54","7","1047","1049","10.1107/S0108270198000894","","","0.71073","MoKα","","","0.035","","","","0.093","","","1.068","1.123","1.123","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007431","11.1046","0.0005","15.0729","0.0008","14.2998","0.0007","90","","100.205","0.001","90","","2355.6","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F24 N2 Ni2 O10 S2 -","- C38 H26 F24 N2 Ni2 O10 S2 -","- C76 H52 F48 N4 Ni4 O20 S4 -","2","0.5","FR1094","Dickman, Michael H.; Ward, Jeffrey P.; Villamena, Frederick A.; Crist, DeLanson R.","Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine <i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section C","1998","54","7","929","930","10.1107/S0108270198000730","","","0.71073","MoKα","","0.041","0.031","","0.076","0.071","","","","1.03","1.055","1.055","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007432","24.823","0.004","18.17","0.002","11.429","0.002","90","","110.61","0.01","90","","4824.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(quinoline)-1κN;2κN-di-(-bromine-1:2κ^4^Br- bis(triphenylphosphine)-1κP;2κP-di-copper(1)","","- C54 H44 Br2 Cu2 N2 P2 -","- C54 H44 Br2 Cu2 N2 P2 -","- C216 H176 Br8 Cu8 N8 P8 -","4","0.5","FR1096","Jin, Qiong-Hua; Long, De-Liang; Wang, Yu-Xian; Xin, Xin-Quan","Di-μ-bromo-1:2κ^4^<i>Br</i>-bis(quinoline)-1κ<i>N</i>,2κ<i>N</i>-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-dicopper(I)","Acta Crystallographica Section C","1998","54","7","948","949","10.1107/S0108270198000997","","","0.71073","MoKα","","","0.036","","","0.072","","","","","1.051","1.051","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007433","7.863","0.003","8.171","0.002","13.415","0.003","78.11","0.02","74.4","0.03","85.12","0.03","811.9","0.4","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Mo2 O8 Si2 -","- C26 H34 Mo2 O8 Si2 -","- C26 H34 Mo2 O8 Si2 -","1","0.5","FR1100","Katharine J. Covert; Jonathan L. Male; David R. Tyler; Timothy J. R. Weakley","Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-bis{1,2(η^5^)-1-[2-(trimethylsiloxy)ethyl]cyclopentadienyl}dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1998","54","7","943","945","10.1107/S0108270198000742","","","0.71073","MoKα","","","0.031","","","0.033","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007434","4.615","0.001","7.519","0.001","24.97","0.001","90","","90.65","0.02","90","","866.3","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-aminocaprylic acid","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Dobson, Allison J.; Gerkin, Roger E.","8-Aminocaprylic Acid","Acta Crystallographica Section C","1998","54","7","969","972","10.1107/S0108270198001309","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2007435","17.964","0.002","8.716","0.001","8.172","0.001","90","","90","","90","","1279.5","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-3-aminoisobutyric acid monohydrate","","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","FR1106","Dobson, Allison J.; Gerkin, Roger E.","<small>DL</small>-3-Aminoisobutyric Acid Monohydrate","Acta Crystallographica Section C","1998","54","7","972","974","10.1107/S0108270198001310","","","0.71073","MoKα","","","0.04","","","","0.056","","","","","","1.87","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007436","3.7582","0.0004","14.5505","0.0015","6.2451","0.0006","90","","101.162","0.008","90","","335.05","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-diamino-dichloropyrazine","","- C4 H4 Cl2 N4 -","- C4 H4 Cl2 N4 -","- C8 H8 Cl4 N8 -","2","0.5","FR1107","Barclay, Tosha M.; Cordes, A. Wallace; Oakley, Richard T.; Preuss, Kathryn E.; Zhang, Hongzhou","2,5-Diamino-3,6-dichloropyrazine","Acta Crystallographica Section C","1998","54","7","1018","1019","10.1107/S0108270198001152","","","0.7107","MolybdenumKα","","0.033","0.033","","0.063","0.063","","","","","1.08","1.08","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007437","9.542","0.005","10.327","0.006","11.857","0.009","114.41","0.05","90.7","0.05","96.61","0.05","1054.6","1.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","GS1001","Kubicki, Marek M.; Blacque, Olivier; Djapa, Francis; Ciamala, Kabula; Vebrel, Joël","4-Benzoyl-6-(4-methoxybenzylidene)-3-phenyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene","Acta Crystallographica Section C","1998","54","7","1027","1028","10.1107/S0108270198001930","","","0.71073","MoKα","","0.165","0.048","","","","0.125","","","","","","0.994","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007438","7.3367","0.0007","7.7985","0.0008","8.396","0.0009","69.989","0.001","64.152","0.001","89.997","0.002","399.85","0.07","157","","157","","","","","","","","","4","P -1","-P 1","2","","3,4-Dimethylpyridinehydrobromide","","- C7 H10 Br N -","- C7 H10 Br N -","- C14 H20 Br2 N2 -","2","1","HA1209","Bolte, Michael; Kettner, Markus","The Twinned Crystal Structure of 3,4-Dimethylpyridine Hydrobromide at 157K","Acta Crystallographica Section C","1998","54","7","963","964","10.1107/S0108270198001164","","","0.71073","MoKα","","0.0718","0.0617","","0.1324","0.1274","0.1324","","","1.08","","","1.08","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007439","4.741","0.0009","15.293","0.005","19.61","0.005","90","","90","","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl2 N O -","- C17 H11 Cl2 N O -","- C68 H44 Cl8 N4 O4 -","4","1","HA1210","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut","<i>N</i>-(3,5-Dichlorophenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","7","974","976","10.1107/S0108270198001176","","","0.71093","MoKα","","0.0496","0.0358","","0.1034","0.0954","","","","1.077","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007440","9.9807","0.0007","7.5585","0.0006","17.0244","0.0012","90","","90.196","0.007","90","","1284.3","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-anilinyl-4-toluenesulfonate","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","HA1211","Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline","Acta Crystallographica Section C","1998","54","7","954","955","10.1107/S0108270198001425","","","0.71073","MoKα","","0.067","0.039","","0.107","0.097","","","","0.901","1.056","1.056","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007441","10.7523","0.0006","11.0208","0.0007","14.0493","0.0009","90","","90","","90","","1664.83","0.18","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,3S)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide methanol solvate","","- C14 H16 Cl3 N3 O2 -","- C14 H16 Cl3 N3 O2 -","- C56 H64 Cl12 N12 O8 -","4","1","JZ1190","Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard","Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo","Acta Crystallographica Section C","1998","54","7","1005","1007","10.1107/S0108270198001437","","","0.71073","MoKα","","","0.045","","","","0.115","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007443","5.838","0.001","7.231","0.001","20.548","0.001","90","","90","","90","","867.4","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","1","JZ1270","Eilers, Frank; Bach, Thorsten; Fröhlich, Roland","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","Acta Crystallographica Section C","1998","54","7","1011","1013","10.1107/S0108270198001528","","","1.54178","CuKα","","0.031","0.031","","0.09","0.09","","","","1.132","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007444","9.4468","0.0009","10.7321","0.0008","10.9452","0.0009","91.601","0.008","93.036","0.009","92.609","0.009","1106.45","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazole-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')- copper(II)","","- C21 H27 Cu N5 O3 -","- C21 H27 Cu N5 O3 -","- C42 H54 Cu2 N10 O6 -","2","1","JZ1275","Warda, Salam A.","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","7","916","918","10.1107/S0108270198001942","","","0.71073","MoKα","","0.064","0.034","","","","0.059","","","","","","0.995","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007445","12.533","0.003","12.649","0.003","25.319","0.005","84.79","0.03","80.74","0.03","83.84","0.03","3927.6","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Tetraundecylpentacyclooctacosadodecaeneoctol","2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene -4,6,10,12,16,18,22,24-octol","","- C80 H136 O12 -","- C80 H136 O12 -","- C160 H272 O24 -","2","1","KA1222","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank","Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)","Acta Crystallographica Section C","1998","54","7","987","992","10.1107/S0108270197019689","","","0.71069","MoKα","","0.144","0.074","","0.196","0.175","","","","0.783","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007446","11.9971","0.0014","12.7","0.002","25.742","0.004","80.06","0.02","84.22","0.02","82.372","0.009","3816.9","1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Tetraundecylpentacyclooctacosadodecaenedodecol","2,8,14,20-Tetraundecylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^] octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene- 4,5,6,10,11,12,16,17,18,22,23,24-dodecol","","- C77 H129 O15.5 -","- C77 H123 O15.5 -","- C154 H246 O31 -","2","1","KA1222","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; Adams, Harry; Stirling, Charles J. M.; Davis, Frank","Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)","Acta Crystallographica Section C","1998","54","7","987","992","10.1107/S0108270197019689","","","0.71069","MoKα","","0.15","0.084","","0.241","0.223","","","","0.882","1.339","1.339","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007447","8.387","0.001","12.511","0.002","11.806","0.003","90","","96.11","0.02","90","","1231.8","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","dichloro(1,4,7-trithiacyclodecane)platinum","","","- C7 H14 Cl2 Pt S3 -","- C7.5 H17 Cl2 Pt S3.5 -","- C30 H68 Cl8 Pt4 S14 -","4","2","KA1253","Lee, Gene-Hsiang","Platinum Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1998","54","7","906","909","10.1107/S0108270197014509","","","0.71073","MoKα","","0.069","0.041","","0.042","0.041","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007448","17.998","0.004","11.627","0.002","13.69","0.003","90","","96.75","0.02","90","","2844.9","1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(1,4,7,-trithiacyclodecane)platinum dichloride heptahydrate","","","- C14 H42 Cl2 O7 Pt S6 -","- C14 H44 Cl O6 Oc2 Pt S6 -","- C56 H176 Cl4 O24 Oc8 Pt4 S24 -","4","0.5","KA1253","Lee, Gene-Hsiang","Platinum Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1998","54","7","906","909","10.1107/S0108270197014509","","","0.71073","MoKα","","0.042","0.029","","0.045","0.044","","","","","2.49","2.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007449","21.595","0.013","12.323","0.007","9.266","0.006","90","","98.9","0.05","90","","2436","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(2-Benzothiazolyl)-3,3,3-trichloro-2-propanol","","- C10 H8 Cl3 N O S -","- C10 H8 Cl3 N O S -","- C80 H64 Cl24 N8 O8 S8 -","8","1","KA1264","Viktor Vrábel; Július Sivý; Drahomír Oktavec; Alexander Bartovič","1-(1,3-Benzothiazol-2-yl)-3,3,3-trichloro-2-propanol","Acta Crystallographica Section C","1998","54","7","984","985","10.1107/S0108270198001589","","","0.71069","MoKα","","0.12","0.039","","0.078","0.07","","","","0.851","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007450","11.834","0.002","8.841","0.002","12.889","0.002","90","","93.41","0.02","90","","1346.1","0.4","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methylphenylammonium hydrogen dipicolinate","Methylphenylammonium hydrogen 2,6-pyridinecarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","KA1269","Ng, Seik Weng; Turnbull, Mark M.","Methylphenylammonium Hydrogen 2,6-Pyridinedicarboxylate at 158K","Acta Crystallographica Section C","1998","54","7","1025","1027","10.1107/S0108270198001590","","","0.71073","MoKα","","0.103","0.042","","0.071","0.068","","","","0.737","0.955","0.955","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007451","5.96","0.003","8.312","0.005","32.8","0.03","90","","90","","90","","1625","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N, N'-methylene-bis(5-phenyl-oxazolidine)","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","LN1028","Lemoine, Pascale; Viossat, Bernard; Martin, Pierre-Guy; Aitken, David J.","<i>N</i>,<i>N</i>'-Methylenebis[(<i>S</i>)-5-phenyloxazolidine]","Acta Crystallographica Section C","1998","54","7","1036","1038","10.1107/S010827019701562X","","","0.71069","MoKα","","0.145","0.058","","0.2","0.094","","","","1.078","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007452","10.51","0.003","10.288","0.004","10.227","0.003","90","","117.6","0.02","90","","980","0.6","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O10 S2 -","- C18 H12 N2 O10 S2 -","- C36 H24 N4 O20 S4 -","2","0.5","LN1048","Bertault, Marcel; Even, Jacky; Toupet, Loic","Monomeric pNBS: Bis(<i>p</i>-nitrobenzenesulfonate) of 2,4-Hexadiyne","Acta Crystallographica Section C","1998","54","7","1028","1030","10.1107/S0108270198000754","","","0.71073","MoKα","","0.0998","0.034","","0.0954","0.077","","","","1.001","1.066","1.066","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007453","11.822","0.004","14.812","0.005","22.612","0.003","73.57","0.02","75.4","0.02","67.38","0.03","3459.5","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(p-methoxyphenyl)tellurium(IV) diiodide","","- C14 H14 I2 O2 Te -","- C14.5 H12.5 I2 O2.5 Te -","- C116 H100 I16 O20 Te8 -","8","4","MU1363","Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos","Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide","Acta Crystallographica Section C","1998","54","7","995","1000","10.1107/S0108270197016387","","","0.71069","MoKα","","0.049","0.0365","","0.0942","0.0919","","","","1.066","1.172","1.172","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007454","10.334","0.001","13.091","0.001","14.588","0.001","110.237","0.007","100.875","0.006","100.272","0.008","1753.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","bis(p-methoxyphenyl)tellurium(IV) diiodide","","- C14 H14 I2 O2 Te -","- C14 H14 I2 O2 Te -","- C56 H56 I8 O8 Te4 -","4","2","MU1363","Joan Farran; Angel Alvarez-Larena; Mario V. Capparelli; Joan F. Piniella; Gabriel Germain; Libardo Torres-Castellanos","Two Polymorphs of Bis(4-methoxyphenyl)tellurium(IV) Diiodide","Acta Crystallographica Section C","1998","54","7","995","1000","10.1107/S0108270197016387","","","0.71069","MoKα","","0.049","0.0277","","0.0725","0.0706","","","","1.013","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007455","7.049","0.002","7.492","0.004","15.077","0.006","91.57","0.04","92.83","0.03","99.74","0.03","783.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κN-hydrazide‒Cyanoborane","","- C15 H16 B F N4 O -","- C15 H16 B F N4 O -","- C30 H32 B2 F2 N8 O2 -","2","1","NA1320","Bruno, Giuseppe; Maccari, Rosanna; Nicoló, Francesco; Ottaná, Rosaria; Panzalorto, Manuela; Scopelliti, Rosario; Vigorita, Maria Gabriella","2'-[1-(4-Fluorophenyl)ethyl]isonicotino-κ<i>N</i>-hydrazide‒Cyanoborane","Acta Crystallographica Section C","1998","54","7","1038","1040","10.1107/S0108270198001681","","","0.71073","MoKα","","0.152","0.063","","0.187","0.152","","","","0.82","1.193","1.193","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007456","13.24","0.005","13.24","0.005","7.157","0.005","90","0.005","90","0.005","120","0.005","1086.5","1","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(3R,4S)-N-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-O-isopropylidene-1-pentyne","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C45 H57 N3 O9 -","3","1","NA1331","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Structures of Chiral Hydroxylamines. VI. (3<i>R</i>,4<i>S</i>)-<i>N</i>-Benzyl-4,5-dihydroxy-3-(hydroxyamino)-4,5-<i>O</i>-isopropylidene-1-pentyne","Acta Crystallographica Section C","1998","54","7","1003","1004","10.1107/S010827019800153X","","","0.71069","MoKα","","0.05","0.041","","0.108","","0.102","","","1.062","","","1.093","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007457","17.435","0.001","10.926","0.001","9.089","0.002","90","","93.01","0.01","90","","1729","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-b]pyridin-3-(2H)- one","","- C19 H22 N4 O S -","- C19 H22 N4 O S -","- C76 H88 N16 O4 S4 -","4","1","NA1333","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-(4-phenylpiperazin-1-ylmethyl)isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","992","994","10.1107/S0108270198001474","","","1.54178","CuKα","","0.057","0.041","","0.129","0.119","","","","1.085","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007458","8.664","0.001","10.64","0.002","8.822","0.001","90","","108.38","0.01","90","","771.8","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","cis,anti-7-phenyl-7a,8,9,10a-tetrahydro-6H,7H-furo[3',2':5,6]pyrano[3,2-c][1] benzopyran-6-one","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.074","0.041","","0.088","0.074","","","","1.114","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007459","11.987","0.002","10.028","0.002","13.413","0.002","90","","107.551","0.008","90","","1537.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-3,4-dihydro-2-ethoxy-4-[2-furyl]-2H,5H-pyrano[3,2-c][1]benzopyran-5-one","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.057","0.036","","0.101","0.094","","","","0.962","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007460","11.682","0.001","11.101","0.001","12.61","0.001","90","","93.66","0.01","90","","1632","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-3,4-dihydro-2-ethoxy-4-phenyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.069","0.037","","0.096","0.087","","","","0.922","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007461","8.276","0.001","15.024","0.001","14.448","0.001","90","","98.68","0.01","90","","1775.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-3,4-dihydro-2-ethoxy-4-(2-nitrophenyl)-2H,5H-pyrano[3,2-c][1]benzopyran-5- one","","- C20 H17 N O6 -","- C20 H17 N O6 -","- C80 H68 N4 O24 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.067","0.033","","0.079","0.071","","","","0.851","1.026","1.026","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007462","10.392","0.001","17.192","0.001","11.193","0.001","90","","107.394","0.006","90","","1908.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-2-ethoxy-4-methoxycarbonyl-4-phenyl-2H,5H-pyrano[3,2-c][1]benzo pyran-5-one","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","NA1342","Casalone, Gianluigi; Pilati, Tullio; Binello, Arianna","Five 3,4-Dihydro-2<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>][1]benzopyran-5-one Derivatives","Acta Crystallographica Section C","1998","54","7","1042","1047","10.1107/S0108270198000249","","","0.71073","MoKα","","0.072","0.04","","0.1","0.088","","","","1.014","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007463","12.5841","0.0008","12.5841","0.0008","18.993","0.002","90","","90","","120","","2604.8","0.4","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris(selenophenyl)methane","","- C19 H16 Se3 -","- C19 H16 Se3 -","- C114 H96 Se18 -","6","0.333333","NA1344","Schulz Lang, Ernesto; Pradella Ziani, Juliana; Abram, Ulrich","Tris(phenylseleno)methane","Acta Crystallographica Section C","1998","54","7","1010","1011","10.1107/S0108270198001085","","","0.71073","MoKα","","0.048","0.029","","","","0.067","","","","","","1.073","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007464","23.63","0.006","10.985","0.001","9.779","0.003","90","","91.06","0.01","90","","2538","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Co(DH)~2~(4-^t^Bu-Py)(PhS)","Bis(dimethylglyoximato)(benzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C23 H32 Co N5 O4 S -","- C23 H32 Co N5 O4 S -","- C92 H128 Co4 N20 O16 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.054","0.034","","0.09","0.084","","","","1.076","1.1","1.1","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007465","12.898","0.001","18.482","0.002","11.412","0.001","90","","90","","90","","2720.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co(DH)~2~(4-^t^Bu-Py)(4-MeO-PhS)","Bis(dimethylglyoximato)(4-methoxybenzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C24 H34 Co N5 O5 S -","- C24 H34 Co N5 O5 S -","- C96 H136 Co4 N20 O20 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.06","0.035","","0.09","0.099","","","","1.028","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007466","13.367","0.003","10.019","0.002","15.554","0.002","90","","109.56","0.01","90","","1962.8","0.7","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,2-diphenyl-1,3,6,9,12-pentaoxacyclotetradecane","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","","0.05","","","0.057","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007467","13.948","0.002","11.703","0.002","14.725","0.002","90","","116.753","0.008","90","","2146.3","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2-diphenyl-1,3,6,9,12,15-hexaoxacycloheptadecane","","- C23 H30 O6 -","- C23 H28.494 O6 -","- C92 H113.976 O24 -","4","1","OA1043","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Benzophenone Crown Ether Acetals with 14- and 17-Membered Rings","Acta Crystallographica Section C","1998","54","7","1049","1052","10.1107/S010827019800170X","","","0.7107","MoKα","","0.17","0.051","","0.199","0.141","","","","1.01","1.16","1.16","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007468","21.97","0.04","6.155","0.003","19.98","0.04","90","","122.08","0.09","90","","2289","7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- I4 O Ta4 Te9 -","- I4 O Ta4 Te9 -","- I16 O4 Ta16 Te36 -","4","0.5","OH1092","Huang, Da-Ping; Huang, Chang-Cang; Liu, Shi-Xiong; Xu, Huai-Da; Huang, Jin-Ling","An Oxygen-Centred Tetranuclear Tantalum Cluster: Ta~4~O(Te~2~)~4~TeI~4~","Acta Crystallographica Section C","1998","54","7","893","895","10.1107/S0108270197018593","","","0.71069","MoKα","","","0.033","","","0.043","","","","","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007469","7.712","0.002","26.454","0.008","6.777","0.002","91.06","0.02","102.02","0.02","94.69","0.02","1346.9","0.7","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- I10 Ta7 Te24 -","- I10 Ta7 Te24 -","- I10 Ta7 Te24 -","1","0.5","OH1093","Huang, Jin-Ling; Huang, Da-Ping; Liu, Shi-Xiong; Huang, Chang-Cang; Xu, Huai-Da","A New One-Dimensional Compound: (TaTe~4~)~6~I~4~(TaI~6~)","Acta Crystallographica Section C","1998","54","7","895","897","10.1107/S010827019701860X","","","0.71069","MoKα","","","0.0318","","","0.0554","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007470","7.7068","0.0011","10.1645","0.0012","9.691","0.002","90","","90","","90","","759.2","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.048","0.035","","0.088","0.079","","","","1.147","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007471","10.175","0.002","9.6082","0.0014","9.577","0.002","90","","90","","90","","936.3","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","0.5","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71069","MoKα","","0.084","0.043","","0.125","0.103","","","","1.042","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007472","6.1062","0.0012","8.404","0.002","17.721","0.003","90","","93.478","0.015","90","","907.7","0.3","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 O2 S2 -","- C7 H12 O2 S2 -","- C28 H48 O8 S8 -","4","1","OS1000","Bromley, Mark K.; Looney, Mark G.; Solomon, David H.; Gable, Robert W.; Helliwell, Madeleine; Hodge, Philip","1,5,7,11-Tetraoxaspiro[5.5]undecane, 3,9-Dimethylidene-1,5,7,11-tetraoxaspiro[5.5]undecane and 1,5-Dioxa-7,11-dithiaspiro[5.5]undecane","Acta Crystallographica Section C","1998","54","7","1019","1023","10.1107/S0108270198000274","","","0.71073","MoKα","","0.03","0.027","","0.074","0.072","","","","1.084","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007473","14.225","0.002","14.225","0.002","5.9","0.003","90","","90","","120","","1033.9","0.6","293","","","","","","","","","","","3","P 31","P 31","144","","(1R,2R,5S,7R,8R,9S)-2,6,6,8-tetramethyl tricyclo[5.3.1^1,7^.0^1,5^]undecane-8,9-diol","","- C15 H26 O2 -","- C15 H26 O2 -","- C45 H78 O6 -","3","1","QA0041","Yi-Lin Song; Yu-Bo Fan; Quan-Rui Wang; Zong-Biao Ding; Feng-Gang Tao; Ming-Qin Chen; Jie Sun","Cedranediol: a New Auxiliary for Asymmetric Homologation","Acta Crystallographica Section C","1998","54","7","IUC9800027","","10.1107/S0108270198099557","","","0.7107","MoKα","","","0.04","","","0.043","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007474","11.2771","0.001","11.3895","0.0011","13.715","0.002","90","","90","","90","","1761.6","0.3","133","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4R,5R)-2-benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy- 4,5-dimethyl-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","QA0042","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K","Acta Crystallographica Section C","1998","54","7","IUC9800033","","10.1107/S010827019809951X","","","0.71073","Mo-Kα","","","0.033","","","0.037","","","","","1.475","1.475","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007475","10.2091","0.0009","11.4381","0.0009","20.236","0.003","90","","93.831","0.009","90","","2357.7","0.4","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bis(trimethylsilyl)amino-2-methoxy-3-methyl-6-(trimethylsilylamino)- pyrimidin-4(3H)-one","","- C15 H34 N4 O2 Si3 -","- C15 H34 N4 O2 Si3 -","- C60 H136 N16 O8 Si12 -","4","1","QA0044","Molina, Sebastian; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Ferguson, George; Low, John N.","5-[Bis(trimethylsilyl)amino]-2-methoxy-3-methyl-6-(trimethylsilylamino)pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","IUC9800030","","10.1107/S0108270198099533","","","0.7107","MolybdenumKα","","0.0951","0.0483","","","","0.1339","","","","","","0.988","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007476","9.1779","0.0008","9.5094","0.0007","29.07","0.002","90","","90","","90","","2537.1","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine","","- C20 H25 N5 O11 -","- C20 H25 N5 O11 -","- C80 H100 N20 O44 -","4","1","QA0045","Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A.","6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","IUC9800031","","10.1107/S0108270198099521","","","0.7107","MolybdenumKα","","0.118","0.0522","","","","0.115","","","","","","0.923","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007477","15.311","0.001","11.41","0.001","14.561","0.001","90","","90","","90","","2543.8","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","the cholic acid methanol-water inclusion complex","","- C25 H46 O7 -","- C25 H46 O7 -","- C100 H184 O28 -","4","1","QB0013","Volkov, Anatoly; Huizhe, Zhu; Shuncheng, Liu; White, Mark A.; Coppens, Philip","The Cholic Acid-Methanol-Water Inclusion Complex","Acta Crystallographica Section C","1998","54","7","IUC9800026","","10.1107/S0108270198099569","","","0.71073","MoKα","","0.0551","0.0534","","","","0.1485","","","","","","1.063","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007478","8.995","0.002","11.35","0.004","9.724","0.003","90","","97.69","0.03","90","","983.8","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Sodium Hexacyanoferrate(II) Decahydrate","","","- C6 H20 Fe N6 Na4 O10 -","- C12 H40 Fe2 N12 Na8 O20 -","- C12 H40 Fe2 N12 Na8 O20 -","1","0.25","QB0040","Longridge, John J.; Rawson, Jeremy M.; Davies, John E.","Tetrasodium Hexacyanoferrate(II) Decahydrate","Acta Crystallographica Section C","1998","54","7","IUC9800028","","10.1107/S0108270198099582","","","0.71069","MoKα","","0.0564","0.0549","","","","0.1605","","","","","","1.141","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007479","10.465","0.002","11.418","0.002","12.705","0.003","90","","110.94","0.03","90","","1417.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzoyloxy)methyl-2,2-dichloro-3,3-dimethylcyclobutanone","","- C14 H14 Cl2 O3 -","- C14 H14 Cl2 O3 -","- C56 H56 Cl8 O12 -","4","1","QB0048","Lee-Ruff, Edward; Ramnauth, Jailall","3,3-Dichloro-4,4-dimethyl-2-oxocyclobut-1-yl Benzoate","Acta Crystallographica Section C","1998","54","7","IUC9800029","","10.1107/S0108270198099545","","","0.71073","MoKα","","0.048","0.037","","","","0.096","","","","","","1.031","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007480","7.406","0.001","12.386","0.002","12.409","0.003","105.9","0.02","101.6","0.02","91.27","0.02","1068.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Lead(II)bis(2-fluorobenzoato)-bis(thiourea)monohydrate","(catena-(bis(μ-thiourea-S,S)-2-fluorobenzoato)-lead(II)) 2-fluorobenzoate - water (1/1)","","- C16 H18 F2 N4 O5 Pb S2 -","- C16 H18 F2 N4 O5 Pb S2 -","- C32 H36 F4 N8 O10 Pb2 S4 -","2","1","QC0003","Ragan, Colman; Jai-nhuknan, Jaran; Hughes, John M.; Cantrell, Joseph S.","Poly[[(2-fluorobenzoato)lead(II)-di-μ-thiourea-<i>S</i>:<i>S</i>] 2-Fluorobenzoate Monohydrate]","Acta Crystallographica Section C","1998","54","7","IUC9800032","","10.1107/S0108270198099570","","","0.71069","MoKα","","0.042","0.035","","0.08","0.076","","","","0.997","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007481","9.755","0.002","7.43","0.002","11.255","0.002","90","","99.8","0.1","90","","803.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methanediyl bis(N,N-diethyldithiocarbamate).","","- C11 H22 N2 S4 -","- C11 H22 N2 S4 -","- C22 H44 N4 S8 -","2","1","SK1097","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","A New Bis(dithioester): Methanediyl Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamate), Derived from <i>cis</i>-Dichlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1998","54","7","1040","1042","10.1107/S0108270198000924","","","0.71073","MoKα","","0.051","0.029","","0.076","0.069","","","","0.975","1.01","1.01","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007482","10.435","0.002","7.312","0.003","14.596","0.002","90","","101.29","0.02","90","","1092.1","0.5","292","","292","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexakis(urea)magnesium chlorate","","- C6 H24 Cl2 Mg N12 O12 -","- C6 H24 Cl2 Mg N12 O12 -","- C12 H48 Cl4 Mg2 N24 O24 -","2","0.5","SK1132","Todorov, Todor; Petrova, Rosica; Kossev, Krasimir; Macíček, Josef; Angelova, Olyana","Hexakis(urea-<i>O</i>)magnesium Dichlorate","Acta Crystallographica Section C","1998","54","7","927","929","10.1107/S0108270197018167","","","0.71073","MoKα","","","0.04","","","","0.048","","","","","","0.726","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007483","18.267","0.003","12.122","0.002","27.522","0.004","90","","108.26","0.02","90","","5787.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 P2 S15 Sb2 -","- C48 H40 P2 S15 Sb2 -","- C192 H160 P8 S60 Sb8 -","4","0.5","SK1145","Rijnberk, Herme; Näther, Christian; Schur, Michael; Jeß, Inke; Bensch, Wolfgang","[Ph~4~P]~2~[Sb~2~S~15~]","Acta Crystallographica Section C","1998","54","7","920","923","10.1107/S0108270198001188","","","0.71073","MoKα","","0.0465","0.0257","","0.0629","0.0577","","","","1.022","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007484","9.627","0.002","11.119","0.002","9.562","0.002","90","","90","","90","","1023.5","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Trirubidium niobium tetrasulfide","","","- Nb Rb3 S4 -","- Nb Rb3 S4 -","- Nb4 Rb12 S16 -","4","0.5","SK1159","Krause, Oliver; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","Trirubidium Tetrathioniobate","Acta Crystallographica Section C","1998","54","7","902","904","10.1107/S0108270198001723","","","0.71073","MoKα","","0.0539","0.0292","","0.0748","0.0677","","","","1.016","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007485","18.618","0.002","18.618","0.002","18.618","0.002","118.34","0.01","118.34","0.01","118.34","0.01","2141","4","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","2-(4-nitroanilino)-phenethylalcohol","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C84 H84 N12 O18 -","6","1","SK1162","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","2-(4-Nitroanilino)-2-phenylethanol","Acta Crystallographica Section C","1998","54","7","955","957","10.1107/S0108270198001826","","","0.71073","MoKα","","0.1029","0.0446","","0.1246","0.1092","","","","0.798","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007486","9.68","0.003","17.611","0.004","10.076","0.002","90","","116.96","0.02","90","","1531","0.7","178","2","178","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R)-Cyclopentane-1,2-diyl-bis[(4'S,5'S)-4',5'-diisopropoxycarbonyl- 1'3',2'-dioxaphospholane]","","- C25 H40 O12 P2 -","- C25 H40 O12 P2 -","- C50 H80 O24 P4 -","2","1","SK1170","Dahlenburg, Lutz; Kaunert, Anja","Chiral Bisphosphanes. IV. Tetraisopropyl 2,2'-[(1<i>R</i>,2<i>R</i>)-Cyclopentane-1,2-diyl]bis[(4<i>S</i>,5<i>S</i>)-1,3,2-dioxaphospholane-4,5-dicarboxylate]","Acta Crystallographica Section C","1998","54","7","1016","1017","10.1107/S010827019800119X","","","0.71069","MoKα","","0.0587","0.0526","","0.1414","","0.1399","","","1.051","","","1.041","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007487","9.9216","0.0006","11.2148","0.0006","12.1991","0.0007","90","","105.558","0.005","90","","1307.64","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(dichlorodimethyltin^.^3-methyl-4-nitropyridine N-oxide)","","- C8 H12 Cl2 N2 O3 Sn -","- C8 H12 Cl2 N2 O3 Sn -","- C32 H48 Cl8 N8 O12 Sn4 -","4","1","SK1174","Lim, Hock Chuan; Ng, Seik Weng","Di-μ-chloro-bis[chlorodimethyl(3-methyl-4-nitropyridine <i>N</i>-oxide-<i>O</i>)tin]","Acta Crystallographica Section C","1998","54","7","939","941","10.1107/S0108270198001735","","","0.71073","MoKα","","0.0381","0.0255","","0.0633","0.0585","","","","1.009","1.045","1.045","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007488","12.8011","0.0002","9.6258","0.0002","19.4453","0.0002","90","","92.882","0.001","90","","2393.04","0.07","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 -","- C12 H10 Cl2 N2 -","- C96 H80 Cl16 N16 -","8","2","SK1176","Benchat, Nour-Eddine; Taoufik, Jamal; Essassi, El-Mokhtar; Ramdani, Abdelkrim; El-Bali, Brahim; Bolte, Michael","6-Chloro-4-(<i>o</i>-chlorobenzyl)-3-methylpyridazine at 173K","Acta Crystallographica Section C","1998","54","7","964","966","10.1107/S0108270198001838","","","0.71073","MoKα","","0.0465","0.034","","0.081","0.0753","0.081","","","1.052","","","1.052","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007489","8.5961","0.0003","10.367","0.0006","16.506","0.001","90","","98.76","0.01","90","","1453.79","0.14","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","SX1044","Garcia, J. Gabriel; Haas, Julia; Rodriguez, Augusto; Fronczek, Frank R.","9-Hydroxy-9-(3-methylbut-3-en-1-ynyl)-9<i>H</i>-fluorene-1-carbonitrile","Acta Crystallographica Section C","1998","54","7","952","954","10.1107/S010827019701771X","","","1.54184","CuKα","","","0.038","","","0.051","","","","","2.58","2.58","","","","","has coordinates,has disorder,has Fobs","192029","2020-10-21","18:00:00",""
"2007490","9.226","0.001","15.164","0.002","18.868","0.002","90","","99.03","0.01","90","","2607","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2,2'-iminodipyridinium(1+)] bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3-)]bis[aquadibutyltin(IV)] dihydrate","","- C25 H34 N4 O7 Sn -","- C25 H34 N4 O7 Sn -","- C100 H136 N16 O28 Sn4 -","4","1","TA1200","Ng, Seik Weng","Bis[2,2'-iminodipyridinium(1+)] Bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3 ‒)]bis[aquadibutyltin(IV)] Dihydrate","Acta Crystallographica Section C","1998","54","7","914","916","10.1107/S0108270198001322","","","0.71073","MoKα","","0.04","0.028","","0.072","0.067","","","","1.002","1.04","1.04","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007491","14.354","0.005","13.594","0.004","17.501","0.003","90","","91.29","0.02","90","","3414.1","1.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BistriphenylphosphineoxidetinIIchloride","","","- C36 H30 Cl2 O2 P2 Sn -","- C36 H30 Cl2 O2 P2 Sn -","- C144 H120 Cl8 O8 P8 Sn4 -","4","1","VJ1080","Selvaraju, R.; Panchanatheswaran, K.; Parthasarathi, V.","Dichlorobis(triphenylphosphine oxide)tin(II)","Acta Crystallographica Section C","1998","54","7","905","906","10.1107/S0108270198000328","","","0.71069","MoKα","","0.063","0.04","","0.077","0.072","","","","1.218","1.317","1.317","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007492","9.3938","0.0008","9.3938","0.0008","6.9013","0.0005","90","","90","","120","","527.4","0.07","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","britholite","","","- Ca9 F1.5 Nd O24.25 P5 Si -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","1","0.0833333","","Laurent Boyer; Jean-Michel Savariault; Joëlle Carpena; Jean-Louis Lacout","Neodymium-Substituted Britholite Compound","Acta Crystallographica Section C","1998","54","","1057","1059","","","","","","","","0.0346","","","0.0924","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007493","9.255","0.001","12.524","0.002","13.538","0.002","90","","104.32","0.01","90","","1520.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Br2 Cu N2 O2 -","- C36 H26 Br2 Cu N2 O2 -","- C72 H52 Br4 Cu2 N4 O4 -","2","0.5","AB1532","Elerman, Yalc̨in; Elmali, Ayhan; Özbey, Süheyla","Bis[<i>N</i>-(2-bromo-4-methylphenyl)naphthaldiminato]copper(II)","Acta Crystallographica Section C","1998","54","8","1072","1074","10.1107/S0108270198003345","","","0.71069","MoKα","","0.098","0.056","","0.097","0.09","","","","1.208","1.387","1.387","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007494","6.235","0.009","13.137","0.01","25.73","0.03","88.05","0.09","86.38","0.1","84.5","0.09","2093","4","293","2","293","2","","","","","","","","3","P 1","P 1","1","Seychellogenin","3β-Hydroxy-20(S)-Holost-7,9-dien","","- C31 H48.67 O3.67 -","- C31 H48.6667 O3.66667 -","- C93 H146 O11 -","3","3","AV1012","Ilyin, Sergey G.; Antonov, Alexander S.; Stonik, Valentine A.; Antipin, Michael Yu.; Elyakov, Georgy B.","(20<i>S</i>)-3β-Hydroxyholosta-7,9-diene","Acta Crystallographica Section C","1998","54","8","1156","1158","10.1107/S0108270198001966","","","0.71069","MoKα","","0.1888","0.0843","","0.1256","0.1208","","","","1.829","2.484","2.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007495","14.766","0.002","24.223","0.005","9.239","0.001","94.74","0.01","96.72","0.01","87.19","0.01","3268.1","0.9","294","","294.2","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H68 Mn2 O12 -","- C80 H68 Mn2 O12 -","- C160 H136 Mn4 O24 -","2","1","BK1373","Yaukey, Tammy S.; Steward, Omar W.; Chang, Shih-Chi","Manganese(II) Triphenylacetate Hydrate, a Manganese(II) Complex with a Chain Structure","Acta Crystallographica Section C","1998","54","8","1081","1083","10.1107/S0108270198003126","","","0.7107","MoKα","","","0.048","","","0.052","","","","","1.94","1.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007496","13.558","0.004","7.051","0.002","15.482","0.004","90","","90.42","0.02","90","","1480","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(1,10-phenanthrolyne-N,N')(μ-thiosulfato-S,O) cadmium(II)), hydrate.","","- C12 H12 Cd N2 O5 S2 -","- C12 H12 Cd N2 O5 S2 -","- C48 H48 Cd4 N8 O20 S8 -","4","1","BK1378","Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa","Aqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(μ~3~-thiosulfato-<i>S</i>:<i>S</i>:<i>O</i>)cadmium(II) Hydrate","Acta Crystallographica Section C","1998","54","8","1099","1102","10.1107/S0108270198003138","","","0.71073","MoKα","","0.084","0.041","","","","0.072","","","","","","0.999","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007497","11.642","0.002","33.225","0.003","16.312","0.004","90","","93.21","0.02","90","","6300","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[7,11- or 7,8-(μ-thiobenzoate-S:O)-7-(triphenylphosphine-P)-8,9:10,11-di- μH-7-platina-nido-undecaborane] 0.5-dichloromethane","","- C25.5 H32 B10 Cl O P Pt S -","- C25.5 H27 B10 Cl O P Pt S -","- C204 H216 B80 Cl8 O8 P8 Pt8 S8 -","8","2","BM1188","Chun-Hua Hu; Jian-Min Dou; Jie Sun; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Pei-Ju Zheng","Exopolyhedral Cyclized Platinaundecaboranes: [(PPh~3~)(PhCOS)PtB~10~H~11~].0.5CH~2~Cl~2~","Acta Crystallographica Section C","1998","54","8","1089","1091","10.1107/S010827019800290X","","","0.71073","MoKα","","0.121","0.076","","","","0.258","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007498","8.108","0.005","5.345","0.001","16.68","0.011","90","","94.16","0.03","90","","721","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 S2 -","- C14 H14 N4 S2 -","- C28 H28 N8 S4 -","2","0.5","BM1197","Bermejo, Elena; Carballo, Rosa; Castiñeiras, Alfonso; Maichle-Mössmer, Cäcilia","<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)dithiooxamide","Acta Crystallographica Section C","1998","54","8","1130","1131","10.1107/S0108270198002510","","","1.54184","CuKα","","0.104","0.052","","","","0.146","","","","","","1.027","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007499","8.972","0.001","8.972","0.001","34.15","0.02","90","","90","","120","","2380.7","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","Kemp's acid-acrylonitrile","(1α,3α,5α)-1,3,5-trimethyl-1,3,5-cyclohexanetricarboxylic acid-acetonitrile","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C84 H126 N6 O36 -","6","0.333333","BM1202","Hirose, Takuji; Baldwin, Bruce W.; Wang, Zhen-He; Kennard, Colin H. L.","(1α,3α,5α)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic Acid Acetonitrile Solvate","Acta Crystallographica Section C","1998","54","8","1143","1144","10.1107/S0108270198001024","","","0.71073","MoKα","","0.08","0.05","","","","0.152","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007500","10.128","0.002","10.599","0.002","12.784","0.004","86.75","0.02","86.35","0.02","79.079","0.009","1343.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Iodo (1,10-Phenathroline-N,N')(Triphenylphosphine) Copper(I)","","- C30 H23 Cu I N2 P -","- C30 H23 Cu I N2 P -","- C60 H46 Cu2 I2 N4 P2 -","2","1","BM1209","Jin, Qiong-Hua; Xin, Xiu-Lan; Dong, Cheng-Jun; Zhu, Hui-Ju","Iodo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)","Acta Crystallographica Section C","1998","54","8","1087","1089","10.1107/S0108270198001991","","","0.71073","MoKα","","","0.0312","","","","0.0843","","","","","","1.117","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007501","11.0341","0.0008","11.0341","0.0008","62.874","0.009","90","","90","","120","","6629.4","1.2","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","β-dihydroentandrophragmin","","","- C44.42 H60.84 O17.71 -","- C44.42 H60.84 O17.71 -","- C266.52 H365.04 O106.26 -","6","1","BM1227","Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon","β-Dihydroentandrophragmin‒Ethyl Acetate (1/0.355)","Acta Crystallographica Section C","1998","54","8","1182","1184","10.1107/S0108270198006076","","","1.54184","CuKα","","0.093","0.075","","","","0.21","","","","","","1.043","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007502","6.4542","0.0014","12.388","0.003","13.501","0.003","90","","93.2","0.02","90","","1077.8","0.4","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Benzo[g]imidazo[1,2-a]-2,3,5,6,7,8-hexahydro-quinazoline","","- C14 H13 N3 -","- C14 H13 N3 -","- C56 H52 N12 -","4","1","BM1232","Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Jones, Peter G.","1,2,3,4-Tetrahydrobenzimidazo[2,1-<i>b</i>]quinazoline","Acta Crystallographica Section C","1998","54","8","1109","1111","10.1107/S0108270198003278","","","0.71073","MoKα","","0.083","0.051","","0.126","0.109","","","","1.047","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007503","8.105","0.004","9.292","0.004","10.283","0.004","109.67","0.03","102.76","0.03","107.14","0.02","651.3","0.5","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C34 H30 N6 -","2","1","","Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G.","2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile","Acta Crystallographica Section C","1998","54","","1107","1109","","","","","","","","0.055","","","0.096","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007504","8.5161","0.0004","10.039","0.0004","7.5138","0.0003","90","","95.372","0.003","90","","639.56","0.05","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","calcium iodate monohydrate","calcium iodate monohydrate","","- Ca D2 I O7 -","- Ca D2.01 I2 O7 -","- Ca4 D8.04 I8 O28 -","4","1","BR1201","Peter, Stefan; Suchanek, Ellen; Roisnel, Thierry; Lutz, Heinz Dieter","Neutron Powder Diffraction Study on Highly Deuterated Ca(IO~3~)~2~.D~2~O","Acta Crystallographica Section C","1998","54","8","1064","1066","10.1107/S010827019800167X","","neutron","1.2272","neutron","","0.039","","","","","","","","1.3","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007505","9.384","0.002","9.182","0.002","10.997","0.003","90","","90","","90","","947.5","0.4","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","Sodium managanese tellurate","","","- Mn4 Na3 O12 Te2 -","- Mn4 Na3 O12 Te2 -","- Mn16 Na12 O48 Te8 -","4","0.5","BR1203","Feger, Christopher R.; Kolis, Joseph W.","Na~3~Mn~4~Te~2~O~12~","Acta Crystallographica Section C","1998","54","8","1055","1057","10.1107/S0108270197020076","","","0.71073","MoKα","","0.068","0.048","","0.05","0.049","","","","","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007506","9.2892","0.0006","9.0724","0.0005","9.5328","0.0012","90","","96.15","0.006","90","","798.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 O7 P -","- C6 H9 O7 P -","- C24 H36 O28 P4 -","4","1","CF1164","Neidle, Stephen; Gaffney, Piers R.J.; Reese, Colin B.","<i>myo</i>-Inositol 1,3,5-Bicyclic Phosphate","Acta Crystallographica Section C","1998","54","8","1191","1192","10.1107/S0108270197017435","","","0.7107","MoKα","","0.0457","0.0387","","0.0978","0.0927","","","","0.576","0.609","0.609","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007507","7.654","0.001","11.282","0.002","29.404","0.004","90","","90","","90","","2539.1","0.7","293","2","293","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C112 H96 N16 O16 S8 -","8","1","CF1230","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard","10-Ethyl-3-nitrophenothiazine","Acta Crystallographica Section C","1998","54","8","1151","1152","10.1107/S0108270198002522","","","0.71073","MoKα","","0.041","0.039","","0.082","0.081","","","","0.992","1.181","1.181","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007508","34.201","0.005","5.219","0.002","23.179","0.004","90","","98.57","0.05","90","","4091.1","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O5 S3 -","- C19 H19 N O5 S3 -","- C152 H152 N8 O40 S24 -","8","1","CF1236","TranQui, Duc; Fresneau, Pierre; Cussac, Max","(<i>Z</i>)-5-(1-Methoxy-2-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1998","54","8","1152","1154","10.1107/S0108270198003096","","","0.71073","MoKα","","0.055","0.054","","0.121","0.118","","","","1.128","1.159","1.159","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007509","10.819","0.003","4.936","0.001","23.671","0.007","90","","91.34","0.02","90","","1263.7","0.6","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","0.5","CF1237","Elerman, Yalc̨in; Elmali, Ayhan; Svoboda, Ingrid; Fuess, Hartmut","Bis(<i>N</i>-<i>n</i>-butyl-2-hydroxy-1-naphthaldiminato)nickel(II)","Acta Crystallographica Section C","1998","54","8","1076","1078","10.1107/S0108270198002534","","","0.71069","MoKα","","0.135","0.048","","0.162","0.128","","","","1.006","1.124","1.124","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007510","7.9188","0.0014","15.01","0.003","13.422","0.002","90","","101.064","0.003","90","","1565.7","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2',4'-dihydroxy-2-[3""-(4""'-methylphenyl)isoxazol-5""-yl]acetophenone","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","CF1247","Kumar, Naresh; Roy, Sucharita; Parmar, Virinder S.; Errington, William","2',4'-Dihydroxy-2-[3-(4-methylphenyl)isoxazol-5-yl]acetophenone","Acta Crystallographica Section C","1998","54","8","1123","1125","10.1107/S0108270198003102","","","0.71073","MoKα","","0.073","0.043","","","","0.111","","","","","","0.99","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007511","5.4965","0.0002","5.4965","0.0002","11.137","0.001","90","","90","","90","","336.47","0.03","296","","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C H2 N4 O -","- C H2 N4 O -","- C4 H8 N16 O4 -","4","0.5","DA1003","Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki","1<i>H</i>-Tetrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1998","54","8","1160","1162","10.1107/S0108270198002108","","","0.7107","MoKα","","","0.028","","","","0.04","","","","","","1.36","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007512","8.89","0.002","19.392","0.002","8.704","0.002","90","","118.48","0.02","90","","1318.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5,5-diphenyl-2-thiohydantoin","5,5-diphenyl-2-thioimidazolidine-4-one","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","FG1365","Roszak, Aleksander W.; Weaver, Donald F.","5,5-Diphenyl-2-thiohydantoin","Acta Crystallographica Section C","1998","54","8","1168","1170","10.1107/S0108270197019963","","","0.71069","MoKα","","0.057","0.035","","0.112","0.095","","","","1.105","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007513","11.715","0.002","11.385","0.005","16.071","0.003","90","","104.57","0.01","90","","2074.5","1.1","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I)","","- C21 H20 O6 P Rh -","- C21 H20 O6 P Rh -","- C84 H80 O24 P4 Rh4 -","4","1","FG1391","Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1998","54","8","1085","1087","10.1107/S0108270198002388","","","0.7107","MoKα","","0.069","0.052","","","","0.187","","","","","","1.175","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007514","8.8847","0.0006","10.483","0.001","11.6776","0.0013","90","","108.375","0.008","90","","1032.18","0.17","293","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","racemic atrolactamidinium chloride","Racemic 2-Hydroxy-2-phenyl-propanamidinium chloride","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","FG1392","Barnes, John C.; Weakley, Timothy J.R.","Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate","Acta Crystallographica Section C","1998","54","8","1170","1173","10.1107/S010827019800239X","","","0.71073","MoKα","","0.062","0.054","","","","0.155","","","","","","1.823","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007515","7.3793","0.0009","12.917","0.004","10.2713","0.0013","90","","109.407","0.011","90","","923.4","0.3","293","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-hydroxy-2-phenylbutanamidinium (R)-mandelate","(S)-2-Hydroxy-2-phenylbutanamidinium (R)-2-Hydroxy-2-phenylethanoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","FG1392","Barnes, John C.; Weakley, Timothy J.R.","Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate","Acta Crystallographica Section C","1998","54","8","1170","1173","10.1107/S010827019800239X","","","0.71073","MoKα","","0.059","0.037","","","","0.107","","","","","","1.111","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007516","8.6388","0.0008","12.9233","0.0011","11.13","0.0013","90","","90","","90","","1242.6","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H13 N5 S2 Zn -","- C6 H13 N5 S2 Zn -","- C24 H52 N20 S8 Zn4 -","4","0.5","FG1401","Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua","(Diethylenetriamine)bis(isothiocyanato)zinc(II)","Acta Crystallographica Section C","1998","54","8","1067","1068","10.1107/S0108270198002753","","","0.7107","MoKα","","0.055","0.039","","0.098","0.095","","","","1.071","1.173","1.173","","","","","has coordinates,has disorder,has Fobs","203567","2020-10-21","18:00:00",""
"2007517","10.9634","0.0008","11.1491","0.0008","13.2319","0.001","114.161","0.006","95.894","0.004","92.468","0.006","1461.4","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[μ-(4,7-η:16,19-η)-5,24:6,11:12,17:18,23-tetra[1,2]benzeno- tetrabenzo[a,e,i,m]cyclohexadecene]bis{aqua[(2,3-η)toluene]silver(I)} bis(trifluoromethanesulfonate)","","- C72 H52 Ag2 F6 O8 S2 -","- C72 H52 Ag2 F6 O8 S2 -","- C72 H52 Ag2 F6 O8 S2 -","1","0.5","FG1410","Kammermeier, Stefan; Jones, Peter G.; Dix, Ina; Herges, Rainer","A Silver(I) Complex of a Tube-Shaped Hydrocarbon","Acta Crystallographica Section C","1998","54","8","1078","1081","10.1107/S0108270198002406","","","0.71073","MoKα","","0.044","0.034","","0.08","0.077","","","","1.051","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007518","6.4046","0.0009","5.255","0.0008","27.634","0.003","90","","92.111","0.008","90","","929.4","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(+/-)-α-Tetralonecarboxylic Acid","(+/-)-4-Oxo-1,2,3,4-tetrahydronapthalene-1-carboxylic Acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FG1433","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","(±)-4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid: Hydrogen Bonding and Carboxyl Disordering in a δ-Keto Acid","Acta Crystallographica Section C","1998","54","8","1180","1182","10.1107/S0108270198002765","","","0.71073","MoKα","","0.074","0.041","","0.108","0.091","","","","1.03","1.1","1.1","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007519","12.5595","0.0003","18.7907","0.0007","10.375","0.002","90","","90","","90","","2448.5","0.5","180","","180","","","","","","","","","3","P n a 21","P 2c -2n","33","","(RS,RS)-1,2-(1-Dinaphthyl)-1,2-diphenyl-ethan-1,2-diol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.072","0.044","","","","0.113","","","1.3","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007520","11.072","0.002","11.4926","0.0003","18.9075","0.0007","90","","90","","90","","2405.9","0.4","180","","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(1-naphthyl)-3,5-diphenyl-4-oxa- tricyclo[7.4.0.0^2,6^]trideca-7,9,11,13-tetraen-3-ol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.076","0.048","","","","0.121","","","1.16","","","1.16","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007521","11.832","0.001","14.216","0.002","16.649","0.003","90","","90","","90","","2800.4","0.7","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3α-Bikhaconine","","","- C28 H47 N O9 -","- C28 H47 N O9 -","- C112 H188 N4 O36 -","4","1","FG1439","Parvez, Masood; Gul, Waseem; Anwar, Saeed","3α-Bikhaconine Acetone Solvate","Acta Crystallographica Section C","1998","54","8","1139","1141","10.1107/S0108270198002546","","","1.54178","CuKα","","0.059","0.057","","","","0.149","","","","","","1.064","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007522","8.544","0.002","13.164","0.0013","16.8094","0.0019","90","","90","","90","","1890.6","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","","- C16 H25 Br Hg O5 -","- C16 H25 Br Hg O5 -","- C64 H100 Br4 Hg4 O20 -","4","1","FG1440","Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich","1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene","Acta Crystallographica Section C","1998","54","8","1091","1093","10.1107/S0108270198002418","","","0.71073","MoKα","","0.033","0.025","","","","0.051","","","","","","0.996","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007523","9.0116","0.0017","12.073","0.003","8.4305","0.0018","104.542","0.019","96.133","0.017","86.504","0.018","882.2","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","sp-9-[o-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene","","- C23 H21 Cl -","- C23 H21 Cl -","- C46 H42 Cl2 -","2","1","FG1442","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>sp</i>-9-[<i>o</i>-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene: an Unanticipated Exclusive Product from the Reaction of <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol with Thionyl Chloride","Acta Crystallographica Section C","1998","54","8","1173","1175","10.1107/S0108270198002911","","","0.71069","MoKα","","0.069","0.035","","","","0.094","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007524","8.519","0.002","9.315","0.002","13.429","0.003","90","","90","","90","","1065.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","FR1088","Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas","(7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one","Acta Crystallographica Section C","1998","54","8","1162","1164","10.1107/S0108270197019586","","","0.71073","MoKα","","0.045","0.038","","0.078","0.074","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007525","6.771","0.001","8.63","0.004","9.88","0.003","103.88","0.02","102.8","0.02","100.14","0.03","530.3","0.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","8-aminoquinolinium chloride dihydrate","","- C9 H13 Cl N2 O2 -","- C9 H13 Cl N2 O2 -","- C18 H26 Cl2 N4 O4 -","2","1","FR1092","Barry J. Prince; Mark M. Turnbull","8-Aminoquinolinium Chloride Dihydrate","Acta Crystallographica Section C","1998","54","8","1178","1180","10.1107/S0108270198002133","","","0.71073","MoKα","","0.048","0.04","","0.115","0.112","","","","1.036","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007526","7.161","0.0001","9.445","0.002","12.479","0.003","80.63","0.002","72.441","0.003","83.272","0.002","791.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C34 H38 Cl2 N4 O2 -","2","1","FR1105","Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz","3-<i>tert</i>-Butyl-2'-chloro-2-hydroxy-5-methylazobenzene","Acta Crystallographica Section C","1998","54","8","1145","1146","10.1107/S0108270198002923","","","0.71069","MoKα","","0.074","0.055","","0.14","0.131","","","","1.097","1.195","1.195","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007527","13.047","0.0002","13.3683","0.0001","21.467","0.0003","90","","90","","90","","3744.19","0.08","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Adamantyl dithiete","3,4‒Bis(1‒adamantyl)‒1,2‒dithiete","","- C22 H30 S2 -","- C22 H30 S2 -","- C176 H240 S16 -","8","2","FR1112","Donahue, James P.; Holm, Richard H.","3,4-Bis(1-adamantyl)-1,2-dithiete: the First Structurally Characterized Dithiete Unsupported by a Ring or Benzenoid Frame","Acta Crystallographica Section C","1998","54","8","1175","1178","10.1107/S0108270198002935","","","0.71073","MoKα","","0.065","0.045","","0.105","0.094","","","","1.014","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007528","17.218","0.002","8.121","0.002","19.301","0.001","90","","91.264","0.007","90","","2698.2","0.7","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","ortho-(1-naphthoyl)benzoic acid","","","- C18 H12 O3 -","- C18 H12 O3 -","- C144 H96 O24 -","8","1","FR1119","Gerkin, Roger E.","<i>ortho</i>-(1-Naphthoyl)benzoic Acid","Acta Crystallographica Section C","1998","54","8","1184","1186","10.1107/S0108270198002868","","","0.71073","MoKα","","","","","","","0.06","","","","","","1.67","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007529","11.591","0.001","10.891","0.001","10.903","0.001","90","","118","0.02","90","","1215.3","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cyclopropylcarboximidamide Hydrochloride","","- C4 H9 Cl N2 -","- C4 H9 Cl N2 -","- C32 H72 Cl8 N16 -","8","1","HA1206","Barker, James; Powell, Harold R.","Cyclopropylcarboxamidinium Chloride","Acta Crystallographica Section C","1998","54","8","1189","1191","10.1107/S0108270197018829","","","0.71073","MoKα","","","0.052","","","0.053","","","","","1.098","1.098","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007530","4.2308","0.0003","14.2071","0.0009","7.0308","0.0005","90","","101.961","0.001","90","","413.43","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dibromo-4-nitroaniline","2,6-dibromo-4-nitroaniline","","- C6 H4 Br2 N2 O2 -","- C6 H4 Br2 N2 O2 -","- C12 H8 Br4 N4 O4 -","2","0.5","HA1207","Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","2,6-Dibromo-4-nitroaniline","Acta Crystallographica Section C","1998","54","8","1113","1115","10.1107/S0108270198001814","","","0.71073","MoKα","","0.0666","0.0588","","0.1477","0.1459","","","","0.994","1.145","1.145","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007531","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H24 N2 Ni O2 -","- C184 H192 N16 Ni8 O16 -","8","1","JZ1238","Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut","Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 ‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","8","1075","1076","10.1107/S0108270198005228","","","0.71069","MoKα","","0.133","0.037","","0.113","0.084","","","","1.007","1.082","1.082","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007532","6.981","0.002","8.334","0.001","8.924","0.001","90","","112.32","0.02","90","","480.3","0.17","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co O7 P2 Zn -","- Co O7 P2 Zn -","- Co4 O28 P8 Zn4 -","4","1","JZ1256","Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.","A Mixed Zinc‒Cobalt Diphosphate, ZnCoP~2~O~7~","Acta Crystallographica Section C","1998","54","8","1059","1062","10.1107/S0108270198002820","","","0.71073","Mo_Kα","","0.048","0.041","","","0.064","","","","","2.011","2.011","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007533","12.302","0.008","7.461","0.004","11.203","0.008","90","","101.7","0.05","90","","1006.9","1.1","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","η-cyclopentadienyl-1,2,5,6-η-cyclooctatetraenecobalt'","","- C13 H13 Co -","- C13 H13 Co -","- C52 H52 Co4 -","4","1","JZ1269","Hubert Wadepohl; Rüdiger Merkel; Hans Pritzkow","[(1,2,5,6-η)-Cyclooctatetraene](η^5^-cyclopentadienyl)cobalt","Acta Crystallographica Section C","1998","54","8","1095","1097","10.1107/S0108270198002078","","","0.7107","MoKα","","0.0664","0.0402","","","","0.1042","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007534","9.783","0.002","11.91","0.001","10.395","0.002","90","","99.11","0.01","90","","1195.9","0.4","293","2","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-3-Phenyl-2-[(2S,4S)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl] cyclopentanone","","- C27 H27 N O4 S -","- C27 H27 N O4 S -","- C54 H54 N2 O8 S2 -","2","1","JZ1271","Berger, Bernd; Bolte, Michael","(2<i>R</i>,3<i>S</i>)-3-Phenyl-2-[(2<i>S</i>,4<i>S</i>)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl]cyclopentanone","Acta Crystallographica Section C","1998","54","8","1106","1107","10.1107/S0108270198002169","","","1.5418","CuKα","","0.032","0.032","","0.086","0.086","","","","1.071","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007535","15.1015","0.0001","9.9128","0.0001","16.3279","0.0002","90","","92.359","0.001","90","","2442.19","0.04","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","24,27-diaza-3,6,9,12,15,18-hexaoxa tricyclo [24.4.0.0^20,25^] triaconta-1(26),20,22,24,27,29-hexaene dichloro palladium (II)","","- C22 H30 Cl2 N2 O6 Pd -","- C22 H30 Cl2 N2 O6 Pd -","- C88 H120 Cl8 N8 O24 Pd4 -","4","1","JZ1272","Luis, Santiago V.; Frías, Juan C.; Burguete, M. Isabel; Bolte, Michael","Organization of the Cavity in a Bipyridyl Crown Ether Through Coordination with PdCl~2~","Acta Crystallographica Section C","1998","54","8","1093","1095","10.1107/S0108270198002558","","","0.71073","MoKα","","0.033","0.027","","","","0.067","","","","","","1.138","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007536","8.229","0.003","11.522","0.003","14.43","0.004","66.33","0.02","79.23","0.02","70.08","0.02","1176.1","0.7","298","","294","","","","","","","","","3","P -1","-P 1","2","","9,10-dihydro-1,4-dimethoxy-5,8-dimethyl-cis-9,10-diphenyl- 9,10-anthracenediol","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","JZ1274","Krieger, Claus; Wartini, Alexander R.; Neugebauer, Franz A.","9,10-Dihydro-1,4-dimethoxy-5,8-dimethyl-<i>cis</i>-9,10-diphenyl-9,10-anthracenediol, a Crowded Planar 9,10-Dihydroanthracene","Acta Crystallographica Section C","1998","54","8","1125","1127","10.1107/S0108270198003187","","","0.71073","MoKα","","","0.068","","","0.056","","","","","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007537","9.095","0.001","15.624","0.001","18.372","0.001","90","","90","","90","","2610.7","0.4","291","1","291","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,1-Bis(3-dimethylamino-1,1-dimethylpropyl)-3,3,5,5-tetramethyl-2,4,6-trioxa- 3,5-disila-1-stannacyclohexane","","- C18 H44 N2 O3 Si2 Sn -","- C18 H44 N2 O3 Si2 Sn -","- C72 H176 N8 O12 Si8 Sn4 -","4","1","JZ1276","Nicole Pieper; Markus Schürmann; Klaus Jurkschat","6,6-Bis[3-(dimethylamino)-1,1-dimethylpropyl]-2,2,4,4-tetramethyl-1,3,5-trioxa-2,4-disila-6-stannacyclohexane","Acta Crystallographica Section C","1998","54","8","1097","1099","10.1107/S0108270198003199","","","0.71069","MoKα","","0.0458","0.0278","","0.0547","0.0509","","","","0.94","0.985","0.985","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007538","9.573","0.002","9.778","0.002","8.562","0.002","90","","97.49","0.03","90","","794.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ortho-fluorophenyl-thiourea","1-(2-Fluorophenyl)thiourea","","- C7 H7 F N2 S -","- C7 H7 F N2 S -","- C28 H28 F4 N8 S4 -","4","1","JZ1278","Steiner, Thomas","N—H···S and N-H···Ph Hydrogen Bonding in 1-(2-Fluorophenyl)thiourea","Acta Crystallographica Section C","1998","54","8","1121","1123","10.1107/S010827019800242X","","","0.71073","MoKα","","0.044","0.036","","0.1","0.092","","","","1.113","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007539","14.916","0.003","9.372","0.002","19.076","0.004","90","","107.64","0.01","90","","2541.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenformin","1-Phenethylbiguanide hydrochloride (Phenformin)","","- C10 H16 Cl N5 -","- C10 H16 Cl N5 -","- C80 H128 Cl8 N40 -","8","2","KA1267","Soriano-Lesh, Michelle Ann; Holt, Elizabeth M.; Aguirre García, Fermin; Soriano-García, Manuel","1-Phenethylguanidinium Chloride","Acta Crystallographica Section C","1998","54","8","1187","1189","10.1107/S0108270198003321","","","0.71073","MoKα","","0.155","0.071","","0.051","0.041","","","","1.053","1.339","1.339","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007540","6.1373","0.0006","8.979","0.002","13.3554","0.001","90","","96.88","0.005","90","","730.67","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C36 H28 Br2 N2 O2 -","2","1","KA1275","Elmali, Ayhan; Elerman, Yalc̨in; Kendi̇, Engin","<i>N</i>-(2-Bromo-4-methylphenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","8","1137","1139","10.1107/S0108270198002893","","","0.71069","MoKα","","0.07","0.044","","","","0.094","","","","","","1.254","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007541","15.33","0.001","11.829","0.002","11.631","0.002","90","","90.104","0.014","90","","2109.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Lead molybdenum oxide: Pb~5~MoO~8~","","- Mo O8 Pb5 -","- Mo O8 Pb5 -","- Mo8 O64 Pb40 -","8","2","NA1328","Vassilev, Peter; Nihtianova, Diana","Pb~5~O~4~MoO~4~","Acta Crystallographica Section C","1998","54","8","1062","1064","10.1107/S0108270198001000","","","0.71073","MoKα","","0.06","0.034","","0.1","","0.076","","","0.981","","","1.076","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007542","6.4494","0.0006","15","0.001","21.334","0.001","90","","90","","90","","2063.9","0.3","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-5-(2-Fluorophenyl)-1-methyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride","","- C22 H21 Cl F N3 O S -","- C22 H21 Cl F N3 O S -","- C88 H84 Cl4 F4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.046","0.045","","0.123","","0.123","","","1.069","","","1.069","","","","has coordinates,has disorder","200177","2020-10-21","18:00:00",""
"2007543","6.3344","0.0002","13.5131","0.0007","25.693","0.002","90","","90","","90","","2199.3","0.2","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1H- 1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O S -","- C23 H24 Cl N3 O S -","- C92 H96 Cl4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.057","0.048","","0.137","","0.137","","","1.042","","","1.042","","","","has coordinates,has disorder","200178","2020-10-21","18:00:00",""
"2007544","11.9932","0.0003","19.667","0.001","12.9428","0.0007","90","","117.471","0.004","90","","2708.6","0.2","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","(-)-(2S)-5-(4-Fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride Methyl isobutyl ketone solvate","","- C29 H33 Cl F N3 O1.5 -","- C29 H33 Cl F N3 O1.5 -","- C116 H132 Cl4 F4 N12 O6 -","4","2","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.038","0.037","","0.105","","0.105","","","1.084","","","1.084","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007545","11.15","0.002","11.232","0.002","12.176","0.003","65.67","0.02","84.14","0.02","65.641","0.013","1261.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-phenylthio-tetrakis(triethylphosphine)diplatinum(II) hexafluorophosphate","","- C36 H70 F12 P6 Pt2 S2 -","- C36 H70 F12 P6 Pt2 S2 -","- C36 H70 F12 P6 Pt2 S2 -","1","0.5","NA1346","Bruhn, Clemens; Becke, Steffi; Steinborn, Dirk","Di-μ-phenylthio-bis[bis(triethylphosphine-<i>P</i>)platinum(II)] Bis(hexafluorophosphate), [Pt~2~(μ-SPh)~2~(PEt~3~)~4~](PF~6~)~2~","Acta Crystallographica Section C","1998","54","8","1102","1103","10.1107/S0108270198001097","","","0.71073","MoKα","","0.0356","0.0316","","0.0883","0.0825","","","","1.071","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007546","6.524","0.001","7.412","0.001","16.875","0.003","90","","93.72","0.03","90","","814.3","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","1","NA1351","Kuhl, Alexander; Kornath, Andreas; Preut, Hans; Kreiser, Wolfgang","17β-Hydroxymethyl-3-methoxy-19,21-dinorestra-1,3,5(10)-trieno-18,20-lactone","Acta Crystallographica Section C","1998","54","8","1115","1117","10.1107/S0108270198003047","","","0.71069","MoKα","","0.099","0.042","","0.112","0.082","","","","0.856","0.923","0.923","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007547","7.2603","0.0012","9.4959","0.0007","14.0498","0.001","90.273","0.006","99.462","0.011","89.944","0.009","955.45","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 Cu N6 O7 -","- C14 H26 Cu N6 O7 -","- C28 H52 Cu2 N12 O14 -","2","1","OA1033","Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","[7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>](nitrato-κ<i>O</i>)copper(II) Nitrate Hydrate","Acta Crystallographica Section C","1998","54","8","1069","1070","10.1107/S0108270198002947","","","0.7107","MoKα","","0.033","0.033","","0.061","0.061","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007548","10.579","0.003","10.124","0.003","15.147","0.003","90","","90","","90","","1622.3","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R, 3R, 4R)- cis-4-acetamido-3-hydroxy-2-dimethoxymethyl-2-methyl- 6-nitro-3,4-dihydro-2H-1-benzopyran","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C60 H80 N8 O28 -","4","1","OA1040","Yoon, Tae-Sung; Yoo, Sung Eun; Shin, Whanchul","<i>N</i>-(2-Dimethoxymethyl-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2<i>H</i>-1-benzopyran-4-yl)acetamide","Acta Crystallographica Section C","1998","54","8","1146","1148","10.1107/S0108270198000250","","","0.7107","MoKα","","0.0913","0.047","","0.109","0.083","","","","1.08","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007549","8.9245","0.001","14.9611","0.001","15.7331","0.0013","90","","96.184","0.01","90","","2088.5","0.3","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 Cl Cu N5 O4 S -","- C15 H32 Cl Cu N5 O4 S -","- C60 H128 Cl4 Cu4 N20 O16 S4 -","4","1","OA1047","Lu, Tian-Huey; Shui, Wei-Ze; Tung, Shu-Fang; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun","(Isothiocyanato-κ<i>N</i>)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) Perchlorate","Acta Crystallographica Section C","1998","54","8","1071","1072","10.1107/S0108270198001711","","","0.7107","MolybdenumKα","","0.041","0.041","","0.053","0.052","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007550","11.28","0.003","13.417","0.002","8.986","0.002","90","","90","","90","","1360","0.5","298","","","","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C16 H28 Cl3 Co N6 O16 -","- C16 H28 Cl2.5 Co0.5 N6 O16 -","- C32 H56 Cl5 Co N12 O32 -","2","0.5","OA1050","Hideaki Kanno; Shunji Utsuno; Junnosuke Fujita; Kinya Iijima","Absolute Configuration of (+)~589~-(4,4'-Dimethoxy-2,2'-bipyridine 1,1'-dioxide-<i>O</i>,<i>O</i>')bis(ethylene-diamine-<i>N</i>,<i>N</i>')cobalt(III) Triperchlorate","Acta Crystallographica Section C","1998","54","8","1083","1085","10.1107/S0108270198002959","","","0.71073","MoKα","","","0.056","","","","0.07","","","","","","1.433","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007551","11.898","0.003","29.39","0.005","11.634","0.002","90","","90","","90","","4068.2","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-15-hydroxycotylenol","9-Deoxy-15-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C168 H272 O32 -","8","2","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.083","0.061","","0.189","0.168","","","","1.055","1.067","1.067","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007552","12.703","0.003","17.141","0.003","9.203","0.001","90","","90","","90","","2003.9","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-19-hydroxycotylenol","9-Deoxy-19-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.066","0.06","","0.182","0.173","","","","1.067","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007553","7.392","0.002","8.965","0.006","14.925","0.004","90","","102.9","0.02","90","","964.1","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","OS1005","Byrne, Janice J.; Chavant, Pierre Y.; Averbuch-Pouchot, Marie-Thérèse; Vallée, Yannick","2,2'-Biphenol","Acta Crystallographica Section C","1998","54","8","1154","1156","10.1107/S0108270198002431","","","0.7107","MoKα","","0.042","0.042","","0.053","0.053","","","","1.768","1.768","1.768","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007554","6.4014","0.0011","9.2804","0.0012","13.606","0.002","90","","93.126","0.018","90","","807.1","0.2","293","2","293","2","","","","","","","","4","A 1 2/m 1","-A 2y","12","Hexaquocobalt(II)-cyclopropane-1,1-hydrogencarboxylate","","","- C10 H22 Co O14 -","- C10 H8 Co O14 -","- C20 H16 Co2 O28 -","2","0.25","OS1008","Schwarz, Thomas; Petri, Alke; Schilling, Joachim; Lentz, Axel","Hexaaquacobalt(II) Bis(hydrogen cyclopropane-1,1-dicarboxylate)","Acta Crystallographica Section C","1998","54","8","1104","1105","10.1107/S0108270198002960","","","0.71073","MoKα","","0.038","0.037","","","","0.107","","","","","","1.21","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007555","8.007","0.001","5.546","0.001","19.289","0.002","90","","95.62","0.01","90","","852.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethanolbis(N-nitroso-N-phenyl-hydroxylaminato-O,O')cobalt(II)","","- C14 H18 Co N4 O6 -","- C14 H18 Co N4 O6 -","- C28 H36 Co2 N8 O12 -","2","0.5","QB0041","Andrea Deák; László Párkányi; Alajos Kálmán; Monica Venter; Ionel Haiduc","Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section C","1998","54","8","IUC9800036","","10.1107/S0108270198099478","","","0.7107","MoKα","","0.1277","0.0531","","","","0.1331","","","","","","0.875","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007556","9.2118","0.0001","12.0569","0.0002","12.0845","0.0002","104.471","0.001","97.954","0.001","102.247","0.001","1243.77","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H35 N3 Si2 W -","- C22 H35 N3 Si2 W -","- C44 H70 N6 Si4 W2 -","2","1","QB0044","Wang, Shu-Yu S.; Boncella, James M.; Abboud, Khalil A.","[<i>N</i>,<i>N</i>'-Bis(trimethylsilyl)-<i>o</i>-phenylenediamido](1,4-butanediyl)(phenylimido)tungsten(VI), a Deactivation Product from Olefin Metathesis Polymerization","Acta Crystallographica Section C","1998","54","8","IUC9800035","","10.1107/S010827019809948X","","","0.71073","MoKα","","0.0293","0.0244","","","0.0564","0.0588","","","","","","1.055","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007557","6.4346","0.0012","9.837","0.002","13.116","0.002","90","","90.59","0.02","90","","830.2","0.3","158","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R,5S)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C34 H50 N2 O6 -","2","1","QB0045","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>R</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800039","","10.1107/S0108270198099429","","","0.71073","Mo-Kα","","0.0952","0.0607","","","","0.1037","","","","","","1.47","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007558","5.6316","0.0004","12.498","0.002","23.592","0.002","90","","90","","90","","1660.5","0.3","158","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5R)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","QB0046","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>S</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800038","","10.1107/S0108270198099430","","","0.71073","Mo-Kα","","0.097","0.0537","","","","0.0878","","","","","","1.256","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007559","12.799","0.001","19.842","0.002","6.079","0.001","90","","90","","90","","1543.8","0.3","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis-ethanediammoniumchloride tetrachloromercurate","","- C4 H20 Cl6 Hg N4 -","- C4 H20 Cl6 Hg N4 -","- C16 H80 Cl24 Hg4 N16 -","4","0.5","QB0047","Spengler, Roland; Zouari, Ridha; Ben Salah, Abdelhamid; Zimmermann, Helmuth; Burzlaff, Hans","Redetermination of Bis(1,2-ethanediammonium) Dichloride Tetrachloromercurate(II)","Acta Crystallographica Section C","1998","54","8","IUC9800034","","10.1107/S0108270198099491","","","0.70926","MoKα1","","","0.04","","","0.052","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007560","11.761","0.003","12.102","0.004","13.371","0.003","89.28","0.04","74.76","0.02","63.8","0.04","1635.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,2-diammonium,2-methylpropan) cyclohexaphosphate trihydrate","","- C12 H48 N6 O21 P6 -","- C12 H43 N6 O21 P6 -","- C24 H86 N12 O42 P12 -","2","1","QB0051","Charfi, Miriem; Jouini, Amor; Pierrot, Marcel","Disorder in Tris(2-methyl-1,2-propanediammonium) <i>cyclo</i>-Hexaphosphate Trihydrate","Acta Crystallographica Section C","1998","54","8","IUC9800041","","10.1107/S0108270198099417","","","0.71069","MoKα","","0.0532","0.046","","0.1363","0.1322","","","","1.096","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007561","11.749","0.002","6.849","0.002","12.592","0.002","90","","91.8","0.03","90","","1012.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piperazinium dihydrogendiphosphate","","- C4 H14 N2 O7 P2 -","- C4 H14 N2 O7 P2 -","- C16 H56 N8 O28 P8 -","4","1","QB0052","Charfi, Miriem; Jouini, Amor; Pierrot, Marcel","Piperazine-1,4-diium Dihydrogendiphosphate","Acta Crystallographica Section C","1998","54","8","IUC9800042","","10.1107/S0108270198099405","","","0.71069","MoKα","","0.0376","0.0323","","0.0896","0.0867","","","","1.071","1.113","1.113","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007562","8.3429","0.0004","11.0878","0.0004","12.1128","0.0005","102.095","0.001","107.863","0.001","98.02","0.001","1017.49","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(di(n-propyl)dithiocarbamate) Nickel(II)","","- C14 H28 N2 Ni S4 -","- C14 H28 N2 Ni S4 -","- C28 H56 N4 Ni2 S8 -","2","1","QB0053","Jian, Fang-Fang; Wang, Zuo-Xiang; Fun, Hoong-Kun; Bai, Zhi-Ping; You, Xiao-Zeng; Razak, Ibrahim Abdul; Chinnakali, Kandasamy","A New Polymorph of Bis(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1998","54","8","IUC9800044","","10.1107/S0108270198099442","","","0.71073","MoKα","","0.065","0.042","","","","0.115","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007563","12.9452","0.0015","12.9452","0.0015","7.0747","0.0015","90","","90","","90","","1185.6","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium tetrachloroaluminate","","","- C24 H20 Al Cl4 P -","- C24 H20 Al Cl4 P -","- C48 H40 Al2 Cl8 P2 -","2","0.25","QB0056","Neil Burford; Daren J. LeBlanc; Alan J. Lough","Tetraphenylphosphonium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","8","IUC9800040","","10.1107/S0108270198099454","","","0.71073","MoKα","","0.0727","0.0467","","","","0.0999","","","","","","0.993","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007564","8.8978","0.0003","13.7057","0.0004","7.5532","0.0002","90","","115.867","0.001","90","","828.83","0.04","300","2","300","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Feldspar","","","- Fe Ge3 K O8 -","- Fe Ge3 K O8 -","- Fe4 Ge12 K4 O32 -","4","0.5","QB0058","Lévy, David; Barbier, Jacques","A Sanidine Feldspar Analogue: KFeGe~3~O~8~","Acta Crystallographica Section C","1998","54","8","IUC9800043","","10.1107/S0108270198099508","","","0.71073","MoKα","","0.053","0.036","","0.077","0.071","","","","1.138","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007565","7.8972","0.0011","11.571","0.003","12.429","0.003","111.582","0.006","96.749","0.003","91.662","0.003","1045.6","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cl Co N4 O9 -","- C18 H22 Cl Co N4 O9 -","- C36 H44 Cl2 Co2 N8 O18 -","2","1","QB0059","Caravan, P.; Orvig, Chris; Rettig, Steven J.","[<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ethylenediaminediacetato]cobalt(III) Perchlorate Monohydrate","Acta Crystallographica Section C","1998","54","8","IUC9800037","","10.1107/S0108270198099466","","","0.7107","MoKα","","0.0902","0.037","","0.0753","","0.0753","","","1.115","","","1.115","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2007566","12.415","0.002","10.806","0.002","13.253","0.003","90","","102.83","0.03","90","","1733.6","0.6","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","7-(4-methyl-1-piperazinyl)-6H-[1]benzopyrano[3,4-c]quinoline","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","SK1085","Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore","Characterization of Quinoline Derivatives. II. 7-(4-Methyl-1-piperazinyl)-6<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]quinoline","Acta Crystallographica Section C","1998","54","8","1127","1130","10.1107/S0108270198003941","","","0.71073","MoKα","","0.085","0.046","","0.136","","0.108","","","1.022","","","1.092","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007567","10.564","0.005","6.268","0.002","15.878","0.006","90","","107.94","0.02","90","","1000.2","0.7","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C42 H46 N6 O14 -","2","1","SK1178","Carl Epple; Christian Leumann; Helen Stoeckli-Evans","(1'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>S</i>)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-<i>N</i>^4^-benzoylcytosine","Acta Crystallographica Section C","1998","54","8","1141","1143","10.1107/S010827019800184X","","","0.71073","MoKα","","0.0726","0.0473","","","","0.1458","","","","","","0.912","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007568","12.87","0.002","15.06","0.002","16.575","0.002","84.07","0.02","84.122","0.015","77.77","0.02","3112.2","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2,2,4,4,6,6-Hexaphenylcyclotrisiloxane","","- C36 H30 O3 Si3 -","- C36 H30 O3 Si3 -","- C144 H120 O12 Si12 -","4","2","SK1181","Ziemer, Burkhard; Backer, Michael; Auner, Norbert","A Triclinic Polymorph of Hexaphenylcyclotrisiloxane","Acta Crystallographica Section C","1998","54","8","1111","1113","10.1107/S0108270198003205","","","0.71073","MoKα","","0.051","0.036","","0.097","0.091","","","","0.932","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007569","7.178","0.002","14.268","0.003","14.795","0.003","90","","90","","90","","1515.2","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","SX1029","Slobodanka Stanković; Dušan Lazar; Vjera Pejanović; Julijana Petrović; Christian Courseille","<small>D</small>-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","1998","54","8","1158","1160","10.1107/S0108270197019161","","","1.54178","CuKα","","0.0793","0.0428","","0.1855","0.0889","","","","1.133","1.224","1.224","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007570","14.59","0.001","8.857","0.001","16.674","0.001","90","","90.22","0.01","90","","2154.7","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 -","- C27 H23 N3 -","- C108 H92 N12 -","4","1","SX1063","de Silva, Saliya A.; Whitener, Mark A.; Baron, David E.; Zavaleta, Andres; Isidor, Edward V.; Allam, Osama","(9-Anthrylmethyl)bis(2-pyridylmethyl)amine","Acta Crystallographica Section C","1998","54","8","1117","1119","10.1107/S0108270198002728","","","0.71073","MoKα","","0.109","0.055","","0.156","0.123","","","","1.009","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007571","11.675","0.001","14.738","0.002","6.261","0.001","90","","90","","90","","1077.3","0.2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-[[(2-Aminoethyl)imino]methyl]-4-hydroxybenzoic acid 0.28 hydrate","","- C10 H12.56 N2 O3.28 -","- C10 H12 N2 O3.277 -","- C40 H48 N8 O13.108 -","4","1","SX1066","Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres","3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate","Acta Crystallographica Section C","1998","54","8","1119","1121","10.1107/S010827019800273X","","","0.71073","MoKα","","0.07","0.043","","0.119","0.104","","","","1.056","1.127","1.127","","","","","has coordinates","194049","2020-10-21","18:00:00",""
"2007572","13.323","0.002","7.8005","0.0009","15.324","0.002","90","","110.499","0.008","90","","1491.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","pptphe","N-tert-butyloxycarbonyl-N-benzylglycine","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","SX1067","Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa","<i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer","Acta Crystallographica Section C","1998","54","8","1164","1165","10.1107/S0108270198002741","","","1.5418","CuKα","","0.095","0.068","","0.288","0.183","","","","1.167","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007573","3.8588","0.0001","3.8588","0.0001","29.6561","0.0007","90","","90","","90","","441.589","0.019","300","2","300","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- K2 Nd2 O10 Ti3 -","- K2 Nd2 O10 Ti3 -","- K4 Nd4 O20 Ti6 -","2","0.0625","TA1188","Amow, Gisele; Greedan, J. E.","The Layered Perovskite K~2~Nd~2~Ti~3~O~10~","Acta Crystallographica Section C","1998","54","8","1053","1055","10.1107/S0108270198002145","","","0.71073","MoKα","","0.028","0.026","","0.067","0.064","","","","1.129","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007574","6.9174","0.0004","7.4267","0.0004","12.0693","0.0007","90","","98.206","0.003","90","","613.69","0.06","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(3-pyridinoxy)benzene","1,4-bis(3-pyridinoxy)benzene","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","0.5","TA1207","McMorran, David A.; Steel, Peter J.","1,4-Bis(3-pyridyloxy)benzene","Acta Crystallographica Section C","1998","54","8","1132","1133","10.1107/S0108270198003059","","","0.71073","MoKα","","","0.037","","","","0.105","","","","","","1.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007575","18.951","0.001","9.104","0.001","20.842","0.002","90","","100.01","0.01","90","","3541.1","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(1,4-bis(diphenylphosphino-k,P,P')butane)(N,N'-diethyldithiocarbamato)- nickel(II) perchlorate.","","- C33 H38 Cl N Ni O4 P2 S2 -","- C33 H38 Cl N Ni O4 P2 S2 -","- C132 H152 Cl4 N4 Ni4 O16 P8 S8 -","4","1","AB1521","Ramalingam,Kuppukkannu; Shawkataly, Omar bin; Fun, Hoong-Kun; Ibrahim,Abdul Razak","[1,4-Bis(diphenylphosphino)butane-<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate","Acta Crystallographica Section C","1998","54","9","1223","1225","10.1107/S0108270198001917","","","0.71073","MoKα","","0.0713","0.0441","","0.1314","0.1193","","","","0.945","1.076","1.076","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007576","6.933","0.004","7.826","0.004","11.969","0.007","90","","104.05","0.05","90","","630","0.6","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium hydroxypropanedioate","","- C3 H2 K2 O5 -","- C3 H2 K2 O5 -","- C12 H8 K8 O20 -","4","1","AV1017","Taka, Jun-ichiro; Kashino, Setsuo","Potassium Tartronate and Ammonium Tartronate","Acta Crystallographica Section C","1998","54","9","1257","1259","10.1107/S0108270198004065","","","0.71073","MoKα","","","0.031","","","","0.034","","","","","","1.96","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007577","8.012","0.003","7.638","0.003","10.842","0.005","90","","90","","90","","663.5","0.5","295","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium hydroxypropanedioate","","- C3 H10 N2 O5 -","- C3 H10 N2 O5 -","- C12 H40 N8 O20 -","4","1","AV1017","Taka, Jun-ichiro; Kashino, Setsuo","Potassium Tartronate and Ammonium Tartronate","Acta Crystallographica Section C","1998","54","9","1257","1259","10.1107/S0108270198004065","","","0.71073","MoKα","","","0.039","","","","0.038","","","","","","1.26","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007578","12.681","0.003","12.145","0.002","22.107","0.004","90","","90.35","0.03","90","","3404.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","","","","","- C33 H34 N6 Ni2 O11 -","- C16.5 H16 N3 Ni O5.5 -","- C66 H64 N12 Ni4 O22 -","4","1","BM1200","Koman, Marian; Baloghová, Zuzana; Valigura, Dušan","Structural Investigation of Nickel(II) Complexes. XIII. μ-[2,3,5,6-Tetra-(2-pyridyl)pyrazine]-bis-[bis(acetato)aquanickel(II)]‒Formaldehyde (1/1)","Acta Crystallographica Section C","1998","54","9","1277","1279","10.1107/S0108270198003631","","","0.71073","MoKα","","0.1092","0.0494","","0.1694","0.1184","","","","0.955","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007579","16.031","0.002","17.942","0.003","11.25","0.003","90","","90","","90","","3235.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","trans-2,3,5,7,15-pentaacetoxy jatroph 6(17),11-DIENE-9,14-DIONE","E-(-)-(2R,3R,4R,5S,7R,13R,15R)- 2,3,5,7,15-Pentaacetoxy-2,10,10,13-tetramethyl- 6-methylene-bicyclo[10.3.0] pentadec-11-en-9,14-dione","","- C30 H40 O12 -","- C30 H40 O12 -","- C120 H160 O48 -","4","1","BM1208","Kar, Tanusree; Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Hohmann, Judit","<i>trans</i>-2,3,5,7,15-Pentaacetoxyjatropha-6(17),11-diene-9,14-dione, a Diterpene Oligoester","Acta Crystallographica Section C","1998","54","9","1287","1289","10.1107/S010827019800393X","","","1.5418","CuKα","","0.1067","0.0765","","0.2801","0.2228","","","","1.037","1.258","1.258","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007580","13.61","0.004","8.286","0.001","19.848","0.004","90","","93.74","0.02","90","","2233.5","0.8","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (1-Pyrrolidinecarbodithioate-S,S')(tetrathiotungstenio-S,S')-nickelate(1-)","","- C13 H28 N2 Ni S6 W -","- C13 H28 N2 Ni S6 W -","- C52 H112 N8 Ni4 S24 W4 -","4","1","BM1219","De-Liang Long; Qing-Hua Wang; Jin-Shun Huang","Tetraethylammonium (1-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')(tetrathiotungstenio-<i>S</i>,<i>S</i>')nickelate(1 ‒)","Acta Crystallographica Section C","1998","54","9","1251","1253","10.1107/S0108270198004296","","","0.71073","MoKα","","","0.037","","","0.047","","","","","0.69","0.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007581","9.2751","0.0017","10.39","0.0016","14.08","0.002","98.503","0.012","106.398","0.014","99.953","0.014","1254","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridylamine)(propionato)copper(II) Chloride Monohydrate","","- C23 H25 Cl Cu N6 O3 -","- C23 H25 Cl Cu N6 O3 -","- C46 H50 Cl2 Cu2 N12 O6 -","2","1","BM1221","Sujittra Youngme; Kitisak Poopasit; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Suchada Chantrapromma","Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Chloride Monohydrate","Acta Crystallographica Section C","1998","54","9","1221","1223","10.1107/S0108270198003618","","","0.71073","MoKα","","0.0702","0.05","","0.1477","0.1388","","","","0.994","1.121","1.121","","","","","has coordinates,has disorder","199607","2020-10-21","18:00:00",""
"2007582","11.885","0.003","8.004","0.002","33.795","0.007","90","","90.59","0.02","90","","3214.7","1.3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-2-amino-5,6-dihydro-benzo[f]quinoline-3-carbonitrile","","- C20 H14 Cl N3 -","- C20 H14 Cl N3 -","- C160 H112 Cl8 N24 -","8","2","BM1235","Elgemeie, Galal E.H.; Fathy, Nahed M.; Jones, Peter G.","2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile, a Strongly Fluorescent Phenanthridine Analogue","Acta Crystallographica Section C","1998","54","9","1314","1316","10.1107/S0108270198003813","","","0.71073","MoKα","","0.0676","0.044","","0.1071","0.0928","","","","1.044","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007583","5.5431","0.0005","8.909","0.0006","45.893","0.004","90","","90","","90","","2266.4","0.3","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyacetophenone anil","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0603","","","0.0735","","","","","1.0892","1.0892","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007584","18.339","0.003","9.642","0.001","16.323","0.002","90","","90.26","0.02","90","","2886.3","0.7","220","","220","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-hydroxybenzophenone anil","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0437","","","0.0476","","","","","1.126","1.126","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007585","15.883","0.002","7.233","0.001","7.718","0.001","90","","90.29","0.01","90","","886.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Titano nonaoxodiarséniate de tétrasodium","","- As2 Na4 O9 Ti -","- As2 Na4 O9 Ti -","- As8 Na16 O36 Ti4 -","4","0.5","BR1184","Yaakoubi, Arbia; Jouini, Tahar","Na~4~TiAs~2~O~9~","Acta Crystallographica Section C","1998","54","9","1200","1202","10.1107/S010827019701994X","","","0.71069","MoKα","","0.077","0.036","","0.097","0.076","","","","1.154","1.135","1.135","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007586","3.6848","0.0002","3.6848","","10.552","0.0005","90","","90","","90","","143.272","0.01","292","","292","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C B2 Er Rh2 -","- C B2 Er Rh1.838 -","- C2 B4 Er2 Rh3.676 -","2","0.0625","BR1189","Ye, Jinhua; Shishido, Toetsu; Kimura, Takashi; Matsumoto, Takehiko; Fukuda, Tsuguo","End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C","Acta Crystallographica Section C","1998","54","9","1211","1214","10.1107/S0108270198003035","","","0.7107","MoKα","","","0.019","","","0.02","","","","","1.7","1.7","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007587","6.712","0.002","6.892","0.002","7.855","0.002","94.27","0.02","114.47","0.02","114.79","0.02","286.39","0.17","295.2","","295.2","","","","","","","","","4","P -1","-P 1","2","divanadium managanese tellurite","","","- Mn O7 Te V2 -","- Mn O7 Te V2 -","- Mn2 O14 Te2 V4 -","2","1","BR1206","Feger, Christopher R.; Kolis, Joseph W.","V~2~MnTeO~7~","Acta Crystallographica Section C","1998","54","9","1217","1219","10.1107/S010827019800448X","","","0.7107","MoKα","","0.036","0.028","","0.036","0.035","","","","","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007588","16.923","0.002","14.783","0.002","17.6634","0.0013","90","","90","","90","","4418.9","0.9","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra-n-butylammonium trinitromethane","tetra-n-butylammonium trinitromethanide","","- C17 H36 N4 O6 -","- C17 H36 N4 O6 -","- C136 H288 N32 O48 -","8","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.043","0.043","","0.127","","0.127","","","1.03","1.13","1.13","","","","","has coordinates,has disorder","200221","2020-10-21","18:00:00",""
"2007589","8.1023","0.0005","8.3297","0.0004","9.4897","0.0009","90","","99.208","0.006","90","","632.2","0.08","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","caesium trinitromethane","caesium trinitromethanide","","- C Cs N3 O6 -","- C Cs N3 O6 -","- C4 Cs4 N12 O24 -","4","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.018","0.018","","0.047","","0.047","","","1.09","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007590","16.6","0.003","13.12","0.003","7.96","0.002","90","","109.23","0.03","90","","1636.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[6-(4,5-dimethyl-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7-dihydro-5H-dibenzo- [a.c]cycloheptene]","","- C20 H14 O2 S2 -","- C20 H14 O2 S2 -","- C80 H56 O8 S8 -","4","0.5","CF1132","Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim","New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety","Acta Crystallographica Section C","1998","54","9","1364","1367","10.1107/S0108270198000602","","","0.71073","MoKα","","0.088","0.043","","0.109","0.099","","","","0.749","0.969","0.969","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007591","10.519","0.002","25.456","0.005","20.319","0.004","90","","92.03","0.03","90","","5437.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[6-(4,5-tetramethylene-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7- dihydro-5H-dibenzo[a.c]cycloheptene]","","- C22 H16 O2 S2 -","- C22 H16 O2 S2 -","- C264 H192 O24 S24 -","12","1.5","CF1132","Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim","New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety","Acta Crystallographica Section C","1998","54","9","1364","1367","10.1107/S0108270198000602","","","0.71073","MoKα","","0.101","0.059","","0.171","0.132","","","","1.088","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007592","8.11","0.001","10.045","0.002","30.67","0.003","90","","90.8","0.3","90","","2498.3","0.7","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl2 N4 O2 S -","- C27 H24 Cl2 N4 O2 S -","- C108 H96 Cl8 N16 O8 S4 -","4","1","CF1198","Benelbaghdadi, Rachida; Benharref, Ahmed; Hasnaoui, Aïssa; Lavergne, Jean-Pierre; Giorgi, Michel; Pierrot, Marcel","Some 1,3-Dipolar Adducts from Benzodiazepine. II. Condensation of Nitrilimines with [1,4]Benzodiazepine and [1,4]Benzodiazepin-2-one","Acta Crystallographica Section C","1998","54","9","1343","1345","10.1107/S0108270198003825","","","0.71073","Mo_Kα","","0.132","0.047","","","0.062","","","","","1.655","1.655","","","","","has coordinates,has Fobs","278324","2022-10-03","14:41:53",""
"2007593","10.8058","0.0003","11.1736","0.0003","16.7577","0.0005","93.7","0.001","90.732","0.001","100.238","0.001","1986.35","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato-S,S')- tris(μ^2^-η~2~-disulfido)(μ~3~-sulfido)trimolybdenum(IV) (3Mo—Mo) diethyldithiocarbamate","","- C20 H40 Mo3 N4 S15 -","- C20 H36 Mo3 N4 S15 -","- C40 H72 Mo6 N8 S30 -","2","1","CF1227","Hong-Ping Zhu; Chang-Neng Chen; Qiu-Tian Liu; Jiu-Tong Chen","A Triangular [Mo~3~S~7~]^4+^ Complex: Tris(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tris(μ~2~-η^2^-disulfido)(μ~3~-sulfido)trimolybdenum(IV)(3 <i>Mo</i>—<i>Mo</i>)Diethyldithiocarbamate","Acta Crystallographica Section C","1998","54","9","1273","1275","10.1107/S0108270198003643","","","0.71073","MoKα","","0.033","0.03","","0.09","0.082","","","","0.845","0.802","0.802","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007594","13.074","0.002","17.354","0.002","13.794","0.004","90","","90","","90","","3129.7","1.1","293","","293","","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(1,4-dimethyl-1,4,7-triazacyclononanyl)-μ-aqua- μ-acetato-μ-hydroxodicopper(II) perchlorate","","- C18 H44 Cl2 Cu2 N6 O12 -","- C18 H42 Cl2 Cu2 N6 O12 -","- C72 H168 Cl8 Cu8 N24 O48 -","4","0.5","CF1241","Elliot, David J.; Martin, Lisandra L.; Taylor, Max R.","μ-Acetato-μ-aqua-μ-hydroxo-bis[(1,4-dimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)] Diperchlorate","Acta Crystallographica Section C","1998","54","9","1259","1261","10.1107/S0108270198004375","","","0.71073","MoKα","","0.041","0.039","","0.092","0.09","","","","1.705","1.706","1.706","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2007595","15.3046","0.001","14.5739","0.001","6.4175","0.0006","90","","90","","90","","1431.41","0.19","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","7-Methyl-3,7,11,17-tetra-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene","","- C14 H24 N4 -","- C14 H24 N4 -","- C56 H96 N16 -","4","0.5","CF1244","Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","1998","54","9","1327","1329","10.1107/S0108270198004387","","","0.71073","MoKα","","0.0658","0.0479","","","","0.1222","","","","","","1.162","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007596","7.185","0.001","11.3264","0.0008","13.443","0.001","90","","93.48","0.01","90","","1091.98","0.19","294.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 B F2 N O -","- C11 H12 B F2 N O -","- C44 H48 B4 F8 N4 O4 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.057","","","0.038","","","","","3.14","3.14","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2007597","6.043","0.002","11.192","0.002","15.715","0.002","90","","99.76","0.01","90","","1047.5","0.4","294.2","","294.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C44 H48 B4 F8 N4 O4 -","2","0.5","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.052","","","0.037","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007598","14.685","0.002","8.679","0.003","17.769","0.003","90","","111.75","0.01","90","","2103.5","0.9","289.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 B2 F4 N2 O2 -","- C22 H24 B2 F4 N2 O2 -","- C88 H96 B8 F16 N8 O8 -","4","1","DE1049","Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao","1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts","Acta Crystallographica Section C","1998","54","9","1324","1327","10.1107/S0108270197004332","","","0.7107","MoKα","","","0.0848","","","0.0518","","","","","1.341","1.341","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2007599","8.0599","0.001","8.419","0.001","8.4446","0.0008","78.078","0.009","78.886","0.011","61.473","0.007","489.63","0.1","295","2","","","","","","","","","","4","P -1","-P 1","2","","8-Ammonioquinolinium dichloride","","- C9 H10 Cl2 N2 -","- C9 H10 Cl2 N2 -","- C18 H20 Cl4 N4 -","2","1","DE1080","Yaw Kai Yan; Ngoh Khang Goh; Lian Ee Khoo","8-Ammonioquinolinium Dichloride","Acta Crystallographica Section C","1998","54","9","1322","1324","10.1107/S0108270198003977","","","0.71073","MoKα","","","0.0275","","","","0.0835","","","","","","1.051","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007600","18.005","0.003","7.497","0.003","11.796","0.002","90","","90","","90","","1592.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Vanadyl diarsénovanadate de césium","","- As2.54 Cs2 O17 V4.46 -","- As2.54 Cs2 O17 V4.46 -","- As10.16 Cs8 O68 V17.84 -","4","0.5","DU1175","Haddad, Amor; Boughzala, Habib; Jouini, Tahar","Cs~2~V~3~(As~0,635~V~0,365~)~4~O~17~","Acta Crystallographica Section C","1998","54","9","1202","1204","10.1107/S0108270197007415","","","0.71069","RadiationMoKα","","0.0606","0.0307","","0.0682","0.0592","","","","1.133","1.183","1.183","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007601","10.263","0.002","10.27","0.002","20.42","0.002","90","","98.38","0.03","90","","2129.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- O22 Rb5 Sb7 Ti -","- O22 Rb5 Sb7 Ti -","- O88 Rb20 Sb28 Ti4 -","4","0.5","FG1383","Almgren, Jenni; Svensson, Göran; Albertsson, Jörgen","Rubidium Antimony(V) Titanium Oxide, Rb~5~Sb~7~TiO~22~","Acta Crystallographica Section C","1998","54","9","1206","1209","10.1107/S0108270198003837","","","0.71073","MoKα","","0.0872","0.0499","","0.1004","0.0871","","","","1.273","1.323","1.323","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007602","8.582","0.002","11.313","0.002","16.251","0.003","74.75","0.03","87.29","0.03","83.16","0.03","1511.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Fe2 N3 O21 -","- C21 H25 Fe2 N3 O21 -","- C42 H50 Fe4 N6 O42 -","2","1","FG1421","Abboud, Khalil A.; Xu, Cheng; Drago, Russell S.","Triaqua(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Bis(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Hexahydrate: an Unusual Ion-Pair Compound","Acta Crystallographica Section C","1998","54","9","1270","1273","10.1107/S0108270198000183","","","0.71073","MoKα","","0.045","0.035","","","0.092","0.097","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007603","21.558","0.004","6.5897","0.0012","18.861","0.002","90","","111.891","0.01","90","","2486.2","0.7","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-2,16-dioxatetracyclo[9.4.0.0^3,8^.1^1,8^]hexadecane","","- C14 H22 O3 -","- C14 H22 O3 -","- C112 H176 O24 -","8","1","FG1423","Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.","10,16-Dioxatetracyclo[7.6.1.0^1,11^.0^4,9^]hexadecan-11-ol","Acta Crystallographica Section C","1998","54","9","1285","1287","10.1107/S0108270198003849","","","0.71069","MoKα","","0.0925","0.0399","","0.1251","0.0964","","","","1.014","1.055","1.055","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007604","15.8782","0.0011","5.784","0.0009","17.1481","0.0009","90","","107.535","0.004","90","","1501.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","S-(ethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C15 H15 N O3 S2 -","- C15 H15 N O3 S2 -","- C60 H60 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.04","0.03","","","","0.081","","","","","","1.081","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007605","35.6712","0.0018","5.8847","0.0019","15.4068","0.0015","90","","90.737","0.007","90","","3233.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-S-(propenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C128 H136 N8 O24 S16 -","8","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.06","0.038","","","","0.111","","","","","","1.03","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007606","10.37","0.002","9.9267","0.0018","19.9997","0.0016","90","","94.285","0.01","90","","2053","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-S-(2-cyclohexylethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C21 H25 N O3 S2 -","- C21 H25 N O3 S2 -","- C84 H100 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.06","0.038","","","","0.104","","","","","","1.026","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007607","9.968","0.003","11.6851","0.0014","18.509","0.004","90","","90","","90","","2155.9","0.8","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-S-phenyl-S-(4-phenylbut-1-enyl)-N-(p-tolylsulfonyl)sulfoximine","","- C23 H23 N O3 S2 -","- C23 H23 N O3 S2 -","- C92 H92 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.083","0.035","","","","0.095","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007608","13.876","0.007","21.926","0.008","9.363","0.002","97.05","0.03","91.78","0.03","99.83","0.03","2781.7","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-S-(2-trimethylsilylphenyl)-S-(3-methyl-1-trimethylsilylbut-1-enyl)- N-(p-tolylsulfonyl)sulfoximine","","- C24 H37 N O3 S2 Si2 -","- C24 H37 N O3 S2 Si2 -","- C96 H148 N4 O12 S8 Si8 -","4","2","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71069","MoKα","","0.057","0.036","","","","0.109","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007609","11.142","0.003","17.128","0.004","15.541","0.004","90","","100.35","0.03","90","","2917.6","1.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-S-(2-trimethylsilylphenyl)-S-(2-phenyl-1-trimethylsilylethenyl)- N-(p-tolylsulfonyl)sulfoximine","","- C27 H35 N O3 S2 Si2 -","- C27 H35 N O3 S2 Si2 -","- C108 H140 N4 O12 S8 Si8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.103","0.068","","","","0.227","","","","","","1.013","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007610","11.019","0.002","17.093","0.004","11.044","0.003","90","","99.73","0.03","90","","2050.2","0.8","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-S-(1-trimethylsilylprop-1-enyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine","","- C19 H25 N O3 S2 Si -","- C19 H25 N O3 S2 Si -","- C76 H100 N4 O12 S8 Si4 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.076","0.047","","","","0.149","","","","","","1.197","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007611","9.747","0.002","10.648","0.002","15.418","0.003","90","","90","","90","","1600.2","0.5","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","phenyl vinylsulfone","","- C8 H8 O2 S -","- C8 H8 O2 S -","- C64 H64 O16 S8 -","8","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.039","0.03","","","","0.087","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007612","9.057","0.002","11.092","0.003","7.299","0.002","106.31","0.02","108.15","0.02","77.88","0.02","662.7","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Fe N2 O10 -","- C24 H32 Fe N2 O10 -","- C24 H32 Fe N2 O10 -","1","0.5","FG1437","Okabe, Nobuo; Makino, Tomomi","<i>trans</i>-Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)iron(II)‒Ethanol‒Water (1/2/2)","Acta Crystallographica Section C","1998","54","9","1279","1280","10.1107/S0108270198004739","","","0.71069","MoKα","","","0.068","","","0.089","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007613","17.441","0.002","10.9569","0.0012","10.756","0.003","90","","107.69","0.011","90","","1958.3","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(N-Methyl-N-benzyl)carbamoyl-1,2,4- trimethylquinolinium iodide","","- C21 H23 I N2 O -","- C21 H23 I N2 O -","- C84 H92 I4 N8 O4 -","4","1","FG1441","Lutz, Martin; Spek, Anthony L.","3-(<i>N</i>-Benzyl-<i>N</i>-methylcarbamoyl)-1,2,4-trimethylquinolinium Iodide","Acta Crystallographica Section C","1998","54","9","1291","1292","10.1107/S010827019800314X","","","0.71073","MoKα","","0.033","0.029","","","","0.085","","","","","","1.136","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007614","13.9138","0.0016","8.2036","0.0013","14.555","0.002","90","","99.836","0.01","90","","1636.9","0.4","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Br2 Mg N O -","- C10 H23.9 Br2 Mg N O -","- C40 H95.6 Br8 Mg4 N4 O4 -","4","1","FG1446","Henderson, Kenneth W.; Kennedy, Alan R.","Dibromo(diethyl ether-<i>O</i>)(diisopropylamine-<i>N</i>)magnesium(II)","Acta Crystallographica Section C","1998","54","9","1238","1240","10.1107/S0108270198003655","","","0.71069","MoKα","","0.112","0.033","","","","0.096","","","","","","0.986","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007615","9.703","0.001","5.582","0.001","12.765","0.001","90","","97.9","0.01","90","","684.82","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-oxo-1-cyclohexene-1-carboxylic acid","3-oxo-1-cyclohexene-1-carboxylic acid","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","FG1448","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","3-Oxo-1-cyclohexene-1-carboxylic Acid: Catemeric Hydrogen Bonding and Flexional Ring Disorder in a γ-Keto Acid","Acta Crystallographica Section C","1998","54","9","1282","1285","10.1107/S0108270198004740","","","0.71073","MoKα","","0.084","0.048","","0.137","0.117","","","","1.06","1.15","1.15","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007616","13.488","0.005","10.113","0.003","22.223","0.01","90","","98.78","0.02","90","","2996","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 K O6 Se8 W -","- C17 H29 K O6 Se8 W -","- C68 H116 K4 O24 Se32 W4 -","4","1","FG1451","Thöne, Carsten; Jones, Peter G.; Laube, Jörg; Jäger, Stefan","Organometallic Selenolates. IX. (18-Crown-6)-potassium (η^5^-cyclopentadienyl)bis(1,4-tetraselenido-<i>Se</i>^1^,<i>Se</i>^4^)tungstate(IV)","Acta Crystallographica Section C","1998","54","9","1247","1249","10.1107/S0108270198004752","","","0.71073","MoKα","","0.146","0.065","","0.164","0.135","","","","0.92","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007617","18.049","0.001","8.637","0.001","13.908","0.001","90","","128.25","0.05","90","","1702.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl O2 P S -","- C16 H18 Cl O2 P S -","- C64 H72 Cl4 O8 P4 S4 -","4","0.5","FR1051","Aygün, Muhittin.; Işík, Şamil.; Odabaşoǧlu, Mustafa; Tahir,M.Nawaz; Erdönmez, Ahmet.; Büyükgüngör, Orhan.","Bis(2,6-dimethylphenyl) Chlorothiophosphate","Acta Crystallographica Section C","1998","54","9","1345","1347","10.1107/S0108270198003291","","","0.71069","MoKα","","0.0342","0.0313","","0.0872","0.0856","","","","1.141","1.178","1.178","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007618","20.977","0.003","5.2741","0.0004","15.406","0.002","90","","121.422","0.007","90","","1454.5","0.3","298","","0","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","triammonium dizinc vanadium diphosphate di(hydrogen phosphate)","","- H14 N3 O16 P4 V Zn2 -","- N3 O16 P4 V Zn2 -","- N12 O64 P16 V4 Zn8 -","4","0.5","FR1102","Bircsak, Zsolt; Harrison, William T. A.","Ammonium Zinc Vanadium Phosphate, (NH~4~)~3~Zn~2~V(PO~4~)~2~(HPO~4~)~2~","Acta Crystallographica Section C","1998","54","9","1197","1200","10.1107/S0108270198003667","","","0.71073","MoKα","","","0.038","","","0.036","","","","","1.92","1.92","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007619","7.173","0.002","8.841","0.002","9.458","0.002","65.08","0.02","70.68","0.02","69.59","0.02","497.7","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","triamonium trivanadium(III) hexakis(hydrogen phosphate)","","- H18 N3 O24 P6 V3 -","- H14 N3 O24 P6 V3 -","- H14 N3 O24 P6 V3 -","1","0.5","FR1104","Bircsak, Zsolt; Harrison, William T. A.","α-Ammonium Vanadium Hydrogen Phosphate, α-(NH~4~)V(HPO~4~)~2~","Acta Crystallographica Section C","1998","54","9","1195","1197","10.1107/S0108270198002856","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007620","9.614","0.004","10.664","0.004","12.26","0.003","112.37","0.03","100.77","0.03","90.2","0.03","1138","0.8","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Mn N6 Ni2 O10 -","- C44 H52 Mn N6 Ni2 O10 -","- C44 H52 Mn N6 Ni2 O10 -","1","0.5","FR1111","Ercan, Filiz; Atakol, Orhan","A Linear Trinuclear Ni^II^‒Mn^II^‒Ni^II^ Complex with a μ-Acetato Bridge: Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}manganese(II)","Acta Crystallographica Section C","1998","54","9","1268","1270","10.1107/S0108270198003679","","","0.71073","MoKα","","","0.031","","","0.04","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007621","12.661","0.005","13.816","0.006","7.93","0.002","96.44","0.03","96.71","0.03","109.5","0.03","1281.6","0.9","295","","295","","","","","","","","","5","P -1","-P 1","2","","N,N'-ethylenebis(3-t-butyl-5-methyl-salicylideneaminato)oxovanadium(IV)","","- C26 H34 N2 O3 V -","- C26 H34 N2 O3 V -","- C52 H68 N4 O6 V2 -","2","1","FR1114","Haas, Geoffrey; Schimek, George L.; Pennington, William T.; Kolis, Joseph W.","[<i>N</i>,<i>N</i>'-Ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneaminato)]oxovanadium(IV)","Acta Crystallographica Section C","1998","54","9","1263","1265","10.1107/S0108270198003990","","","0.7107","MoKα","","0.1256","0.0648","","0.0616","","0.0572","","","","","","1.88","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007622","11.059","0.003","7.862","0.002","21.828","0.004","90","","97.17","0.02","90","","1883","0.8","295","2","295","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Sodium ethylenediamminetetraacetato μ-oxo-μ-sulfido bisoxomolybdenum(V) dihydrate","","- C10 H16 Mo2 N2 Na2 O13 S -","- C10 H12 Mo2 N2 Na2 O13 S -","- C40 H48 Mo8 N8 Na8 O52 S4 -","4","1","FR1115","Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W.","Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O","Acta Crystallographica Section C","1998","54","9","1265","1268","10.1107/S0108270198003163","","","0.71073","MoKα","","0.086","0.047","","","","0.115","","","0.788","","","0.788","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007623","5.2789","0.0012","25.266","0.011","7.139","0.003","90","","103.49","0.03","90","","925.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclodecanol","cyclodecanol","","- C10 H20 O -","- C10 H20 O -","- C40 H80 O4 -","4","1","FR1118","Valente, Edward J.; Pawar, Diwakar M.; Noe, Eric A.","Cyclodecanol","Acta Crystallographica Section C","1998","54","9","1302","1304","10.1107/S0108270198003308","","","0.71073","MoKα","","0.172","0.056","","","","0.138","","","","","","0.6","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007624","8.945","0.001","11.472","0.001","14.649","0.002","90","","106.36","0.01","90","","1442.4","0.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,6'-dimethylbiphenyl-2,2'-dicarboxylic acid","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","FR1132","Gerkin, Roger E.","6,6'-Dimethylbiphenyl-2,2'-dicarboxylic Acid (6,6'-Dimethyldiphenic Acid)","Acta Crystallographica Section C","1998","54","9","1369","1372","10.1107/S0108270198005204","","","0.71073","MoKα","","","0.052","","","0.084","","","","","1.61","1.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007625","7.7244","0.0006","9.9912","0.0014","13.82","0.003","90","","91.006","0.011","90","","1066.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-7-(carboxymethyl)purine Ethyl Ester","","- C9 H9 Cl N4 O2 -","- C9 H9 Cl N4 O2 -","- C36 H36 Cl4 N16 O8 -","4","1","HA1208","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","7-(Carboxymethyl)-6-chloropurine Ethyl Ester","Acta Crystallographica Section C","1998","54","9","1316","1318","10.1107/S010827019800345X","","","1.54178","CuKα","","0.038","0.034","","0.082","0.079","","","","1.071","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007626","22.036","0.004","9.243","0.002","19.816","0.003","90","","90","","90","","4036.1","1.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Bistitanium (IV) tetraisopropoxide di-μ-isopropoxide di-2,4,6-trimethylphenoxide","","- C36 H64 O8 Ti2 -","- C36 H64 O8 Ti2 -","- C144 H256 O32 Ti8 -","4","0.5","HA1214","James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy","[Ti~2~(O-2,4,6-Me~3~C~6~H~2~)~2~(O^<i>i^</i>Pr)~4~(μ-O^<i>i^</i>Pr)~2~]","Acta Crystallographica Section C","1998","54","9","1261","1263","10.1107/S0108270198003461","","","0.71073","MoKα","","0.1","0.056","","0.172","0.15","","","","0.977","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007627","8.2983","0.0001","14.6086","0.0002","29.1258","0.0004","90","","90","","90","","3530.82","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarine- 8,9-aziridine","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C168 H144 Br8 N8 O16 -","8","1","HA1215","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative","Acta Crystallographica Section C","1998","54","9","1299","1301","10.1107/S0108270198003874","","","0.71073","MoKα","","0.0863","0.0479","","0.1088","0.0927","","","","1.065","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007628","23.9096","0.0007","9.5192","0.0003","11.9629","0.0003","90","","112.136","0.001","90","","2522.07","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C104 H104 N8 O24 S8 -","8","1","HA1219","Goswami, Shyamaprosad; Ajit Kumar Mahapatra; Gur Dayal Nigam; Chinnakali, Kandasamy; Fun, Hoong-Kun","<i>N</i>-(3-Hydroxyphenyl)-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1998","54","9","1301","1302","10.1107/S010827019800479X","","","0.71073","MoKα","","0.045","0.036","","0.102","0.096","","","","1.058","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007629","11.636","0.002","8.232","0.001","11.086","0.002","90","","128.71","0.01","90","","828.6","0.3","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ni O12 P4 Zn -","- Ni0.5 O12 P4 Zn0.5 -","- Ni2 O48 P16 Zn2 -","4","0.5","JZ1265","Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.","A Mixed Zinc‒Nickel <i>cyclo</i>-Tetraphosphate, ZnNiP~4~O~12~","Acta Crystallographica Section C","1998","54","9","1209","1211","10.1107/S0108270198003886","","","0.71073","MoKα","","0.069","0.031","","","0.041","","","","","1.227","1.227","","","","","has coordinates,has Fobs","176342","2020-10-21","18:00:00",""
"2007630","9.8205","0.001","10.9505","0.001","25.645","0.002","90","","90","","90","","2757.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11α-hydroxy-28-methoxy-28-oxo-2,3-dinor-18β-olean-12-en-1,4-olide","","- C29 H46 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.05","0.043","","0.133","0.122","","","","1.061","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007631","6.58","0.001","12.1344","0.001","32.338","0.002","90","","90","","90","","2582","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","28-methoxy-28-oxo-1,2-dinor-10α,18β-oleano-9,12-dien-3,10β-olide","","- C29 H42 O4 -","- C29 H42 O4 -","- C116 H168 O16 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.041","0.033","","0.102","0.094","","","","1.053","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007632","20.074","0.002","6.488","0.003","7.18","0.004","90","","96.68","0.02","90","","928.8","0.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","JZ1267","Okabe, Nobuo; Adachi, Yukari","2-Hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic Acid","Acta Crystallographica Section C","1998","54","9","1330","1331","10.1107/S0108270198003175","","","0.71069","MoKα","","","0.059","","","0.12","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007633","8.1023","0.0008","9.7724","0.001","5.5763","0.0008","90","","121.9","0.08","90","","374.8","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","caesium oxo-antimonate(III)","","- Cs O2 Sb -","- Cs O2 Sb -","- Cs4 O8 Sb4 -","4","0.5","JZ1279","Hirschle, Christian; Röhr, Caroline","Caesium Dioxoantimonate(III), CsSbO~2~","Acta Crystallographica Section C","1998","54","9","1219","1220","10.1107/S010827019800331X","","","0.7107","MoK~α~","","0.039","0.0383","","","","0.1072","","","","","","1.135","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007634","10.835","0.002","20.834","0.003","7.85","0.002","90","","103","0.02","90","","1726.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1H-indole-1-carboxylic Acid 2,2,2-Trichloroethyl ester","","- C15 H9 Cl5 N2 O3 -","- C15 H9 Cl5 N2 O3 -","- C60 H36 Cl20 N8 O12 -","4","1","JZ1281","Radspieler, Alexander; Ziemer, Burkhard; Liebscher, Jürgen","Twisted Structure of a Substituted 2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1<i>H</i>-indole","Acta Crystallographica Section C","1998","54","9","1351","1353","10.1107/S0108270198004351","","","0.71073","MoKα","","0.035","0.0286","","0.0775","0.075","","","","1.033","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007635","10.8948","0.001","7.7476","0.001","13.2634","0.001","90","","114.283","0.01","90","","1020.5","0.2","133","","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br N2 Si -","- C6 H13 Br N2 Si -","- C24 H52 Br4 N8 Si4 -","4","1","JZ1282","Hensen, Karl; Kettner, Markus; Bolte, Michael","<i>N</i>-Trimethylsilylimidazole Hydrobromide at 133K","Acta Crystallographica Section C","1998","54","9","1312","1314","10.1107/S010827019800362X","","","0.71073","MoKα","","0.0527","0.0382","","0.096","0.0891","","","","1.057","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007636","14.7592","0.0015","10.7763","0.0011","10.0983","0.0007","90","","92.473","0.007","90","","1604.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)","","- C16 H18 Cu N2 O4 -","- C16 H18 Cu N2 O4 -","- C64 H72 Cu4 N8 O16 -","4","1","JZ1284","Warda, Salam A.","Aqua(2-ethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","9","1236","1238","10.1107/S0108270198004673","","","0.71073","MoKα","","0.0737","0.0426","","","","0.095","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007637","9.847","0.003","10.242","0.003","10.866","0.003","90","","101.4","0.04","90","","1074.2","0.6","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6'-dimethoxy-1',2'α,3'β,4'-tetrahydroquinolino[3',2':16,17]estra-1,3,5(10)- triene","","- C27 H33 N O2 -","- C27 H33 N O2 -","- C54 H66 N2 O4 -","2","1","KA1260","Bes, M. Teresa; Usón, Isabel; Pelikán, Szilvia; Tietze, Lutz F.; Frank, Éva; Schneider, Gyula","A Hexacyclic Estrone Derivative","Acta Crystallographica Section C","1998","54","9","1341","1343","10.1107/S0108270198002881","","","0.71073","MoKα","","0.037","0.036","","0.102","0.101","","","","1.016","1.015","1.015","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007638","9.147","0.002","13.36","0.002","9.379","0.002","90","","113.83","0.02","90","","1048.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(perchlorato-O)- [(5RS,6RS,12SR,13SR)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N]copper(II)","","- C14 H32 Cl2 Cu N4 O8 -","- C14 H26 Cl2 Cu N4 O8 -","- C28 H52 Cl4 Cu2 N8 O16 -","2","0.5","KA1262","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Huang, Chin-Sun; Chung, Chung-Sun; Tung, Shu-Fang","Two Conformational (Configurational) Isomers of Diperchlorato[(5<i>RS</i>,6<i>RS</i>,12<i>SR</i>,13<i>SR</i>)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]copper(II)","Acta Crystallographica Section C","1998","54","9","1240","1242","10.1107/S0108270198003710","","","0.71073","MoKα","","0.102","0.051","","0.13","0.118","","","","0.99","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007639","9.291","0.001","7.957","0.002","8.093","0.002","90","","103.11","0.01","90","","582.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4 diaminobutane tetrabromopalladate","","- C4 H14 Br4 N2 Pd -","- C4 H14 Br4 N2 Pd -","- C8 H28 Br8 N4 Pd2 -","2","0.5","LN1029","Zouari, Rhida; Leger, Jean Michel; Maris,Thierry; Chanh, N. B.","1,4-Butanediammonium Tetrabromopalladate(II)","Acta Crystallographica Section C","1998","54","9","1253","1255","10.1107/S0108270198003473","","","0.71073","MoKα","","0.039","0.025","","","","0.074","","","","","","1.223","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007640","16.9681","0.001","16.9681","0.001","6.5473","0.0006","90","","90","","120","","1632.5","0.2","100","2","100","2","","","","","","","","3","P 65","P 65","170","","(2S,3R,5S)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone Diethyl Ether Solvate","","- C10.48 H17.2 O2.12 -","- C10 H16 O2 -","- C60 H96 O12 -","6","1","LN1051","Lutz, Martin; Spek, Anthony L.","(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate","Acta Crystallographica Section C","1998","54","9","1293","1295","10.1107/S0108270198003783","","","0.71073","MoKα","","0.0328","0.0301","","","","0.0836","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007641","16.599","0.002","13.957","0.002","18.105","0.003","90","","95.929","0.012","90","","4172","1","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)-one","","- C24 H22 N3 O2 P -","- C24 H22 N3 O2 P -","- C192 H176 N24 O16 P8 -","8","1","LN1053","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio","2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1355","1357","10.1107/S0108270198003795","","","0.7107","MolybdenumKα","","0.1092","0.0392","","0.1128","0.1007","","","","0.964","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007642","8.666","0.002","10.985","0.003","12.373","0.003","79.291","0.012","75.62","0.02","70.693","0.014","1069.8","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","2-methylthio-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)- one","","- C24 H22 N3 O P S -","- C24 H22 N3 O P S -","- C48 H44 N6 O2 P2 S2 -","2","1","LN1053","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio","2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1355","1357","10.1107/S0108270198003795","","","0.7107","MolybdenumKα","","0.0679","0.0647","","0.1641","0.1617","","","","1.084","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007643","8.0862","0.0019","12.576","0.004","8.186","0.002","90","","98.441","0.019","90","","823.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 B Cu F4 N2 O2 -","- C2 H9 B Cu F4 N2 O2 -","- C8 H36 B4 Cu4 F16 N8 O8 -","4","1","MU1344","Cronin, Leroy; Harper, Miriam, C; Walton, Paul H.; Lindsay, Chris","<i>catena</i>-Poly[diamminecopper(II)-μ-acetato-<i>O</i>:<i>O</i>'] Tetrafluoroborate","Acta Crystallographica Section C","1998","54","9","1255","1257","10.1107/S0108270198004594","","","0.71069","MoKα","","0.0454","0.0383","","","","0.1055","","","","","","1.053","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2007644","10.802","0.003","12.896","0.008","14.936","0.006","90","","90","","90","","2080.6","1.6","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","0.71069","MoKα","","0.09","0.058","","0.152","0.086","","","","","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007645","27.132","0.005","27.132","0.005","8.29","0.004","90","","90","","120","","5285","3","296","","","","","","","","","","","4","R 3 :H","R 3","146","","","","- C24 H33 N O3 -","- C24 H30 N O3 -","- C216 H270 N9 O27 -","9","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","1.5418","CuKα","","0.06","0.055","","0.084","0.074","","","","","0.997","0.997","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007646","13.148","0.005","5.834","0.001","6.501","0.002","90","","90","","90","","498.7","0.3","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","bis(thiourea)cadmium chloride","Bis(thiourea)cadmium Chloride","","- C2 H8 Cd Cl2 N4 S2 -","- C2 H8 Cd Cl2 N4 S2 -","- C4 H16 Cd2 Cl4 N8 S4 -","2","0.5","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.0258","0.0177","","0.0428","0.0397","","","","1.053","1.008","1.008","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007647","13.052","0.018","5.9892","0.0019","13.542","0.003","90","","90","","90","","1058.6","1.5","293","2","293","2","","","","","","","","6","P n a m","-P 2c 2n","62","bis(thiourea)cadmium chloride","Bis(thiourea)cadmium bromide","","- C2 H8 Br2 Cd N4 S2 -","- C2 H8 Br2 Cd N4 S2 -","- C8 H32 Br8 Cd4 N16 S8 -","4","0.5","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.132","0.0553","","","","0.191","","","","","","1.095","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007648","10.481","0.002","7.64","0.002","15.133","0.004","90","","91","0.02","90","","1211.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(thiourea)cadmium iodide","Bis(thiourea)cadmium Iodide","","- C2 H8 Cd I2 N4 S2 -","- C2 H8 Cd I2 N4 S2 -","- C8 H32 Cd4 I8 N16 S8 -","4","1","NA1330","Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda","Bis(thiourea)cadmium Halides","Acta Crystallographica Section C","1998","54","9","1225","1229","10.1107/S0108270198004314","","","0.71073","MoKα","","0.117","0.0505","","","","0.1413","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007649","9.378","0.002","20.241","0.004","12.848","0.003","90","","99.31","0.03","90","","2406.7","0.9","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Bis((O, μ-O'methyllactato)-dioxovanadate(V))-bis(tetrabuthylammonium)] dihydrate]","","- C40 H88 N2 O12 V2 -","- C40 H88 N2 O12 V2 -","- C80 H176 N4 O24 V4 -","2","0.5","NA1343","Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter","Bis(tetra-<i>n</i>-butylammonium) Bis[(methyllactato)dioxovanadate(V)] Dihydrate","Acta Crystallographica Section C","1998","54","9","1249","1251","10.1107/S0108270198003424","","","0.71073","MoKα","","0.062","0.046","","0.133","0.12","","","","1","1.015","1.015","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2007650","16.912","0.001","18.188","0.001","17.872","0.001","90","","91.009","0.004","90","","5496.5","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III)","","- C27 H29 Ce N2 O6 -","- C27 H11 Ce N2 O6 -","- C216 H88 Ce8 N16 O48 -","8","2","NA1347","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","Acta Crystallographica Section C","1998","54","9","1233","1236","10.1107/S0108270198003898","","","0.71073","MoKα","","0.105","0.053","","0.046","0.043","","","","1.49","1.835","1.835","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007651","9.515","0.001","21.086","0.009","14.978","0.002","90","","99.39","0.01","90","","2964.8","1.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","","- C27 H29 N2 O6 Pr -","- C27 H11 N2 O6 Pr -","- C108 H44 N8 O24 Pr4 -","4","1","NA1347","Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.","Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)","Acta Crystallographica Section C","1998","54","9","1233","1236","10.1107/S0108270198003898","","","0.71073","MoKα","","0.068","0.043","","0.051","0.045","","","","0.912","0.972","0.972","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007652","10.032","0.002","10.787","0.003","22.947","0.004","90","","90","","90","","2483.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3S,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.053","0.035","","0.07","0.066","","","","0.896","0.991","0.991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007653","6.237","0.001","18.928","0.002","21.321","0.003","90","","90","","90","","2517","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.101","0.052","","0.099","0.083","","","","1.013","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007654","9.041","0.001","11.242","0.001","11.637","0.001","65.482","0.005","66.853","0.005","73.376","0.005","978.75","0.17","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H60 N12 O6 P4 -","- C28 H60 N12 O6 P4 -","- C28 H60 N12 O6 P4 -","1","0.5","NA1358","Hökelek, Tuncer; Kılıç, Emïne; Kılıç, Zeynel","<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexamorpholinocyclo-2λ^5^, 4λ^5^, 6λ^5^, 8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1998","54","9","1295","1297","10.1107/S0108270198004260","","","0.71073","MoKα","","","0.073","","","0.084","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007655","7.537","0.001","16.928","0.001","10.292","0.001","90","","106.044","0.005","90","","1262","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C56 H52 N4 O4 S8 -","4","1","NA1362","Hökelek, Tuncer; Gündüz, Hüseyin; Patır, Süleyman; Nesimi Uludağ","Spiro[carbazole-1(2<i>H</i>),2'-[1,3]dithiolan]-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1297","1299","10.1107/S0108270198005083","","","0.71073","MoKα","","","0.04","","","0.046","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007656","5.4313","0.0005","45.18","0.003","5.0355","0.0005","92.924","0.006","92.317","0.008","92.088","0.006","1232.11","0.19","293.2","","293.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C48 H84 N4 O6 -","2","1","OA1032","Amai, Makoto; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa; Nakagaki, Masayuki","1:1 Complex of Octadecanoic Acid and 3-Pyridinecarboxamide","Acta Crystallographica Section C","1998","54","9","1367","1369","10.1107/S0108270197019227","","","1.5418","CuKα","","0.064","0.042","","0.056","0.053","","","","2.427","2.428","2.428","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007657","26.965","0.006","26.965","0.006","10.933","0.002","90","","90","","120","","6884","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","4-(p-hydroxyphenyl)-2,2,4-trimethylchroman","4-(2,2,4-trimethylchroman-4-yl)phenol","","- C18 H20 O2 -","- C18 H20 O2 -","- C324 H360 O36 -","18","1","OA1044","Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji","`Guest-Free' Dianin's Compound","Acta Crystallographica Section C","1998","54","9","1357","1360","10.1107/S010827019800451X","","","1.5405","CuKα","","0.049","0.037","","0.101","0.092","","","","1.038","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007658","23.138","0.005","11.22","0.002","6.882","0.001","90","","93.94","0.02","90","","1782.4","0.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","OA1045","Hajime Irikawa; Kinya Iijima","2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione","Acta Crystallographica Section C","1998","54","9","1318","1320","10.1107/S0108270198003333","","","0.71073","MoK~α~","","","0.0669","","","","0.0694","","","","","","1.041","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007659","10.892","0.006","15.82","0.01","8.223","0.003","90","","98.55","0.04","90","","1401.2","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-15(1),17-diene-16,19-dione","","- C14 H18 O7 -","- C14 H18 O7 -","- C56 H72 O28 -","4","1","OA1046","Akihiko Tsuda; Tatsuya Kawamoto; Takumi Oshima","2,3-Benzoquino[15]crown-5","Acta Crystallographica Section C","1998","54","9","1362","1364","10.1107/S010827019800287X","","","0.71073","MoKα","","","0.061","","","0.063","","","","","1.316","1.316","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007660","28.021","0.005","17.118","0.004","12.11","0.002","90","","90.44","0.02","90","","5809","2","295","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-methylenebis(dicyclohexylphosphine)- P:P']bis[chloropalladium(I)](Pd—Pd) Bis(acetonitrile) Solvate","","- C54 H98 Cl2 N2 P4 Pd2 -","- C54 H98 Cl2 N2 P4 Pd2 -","- C216 H392 Cl8 N8 P16 Pd8 -","4","1","OA1051","Hashioka, Miho; Sakai, Ken; Tsubomura, Taro","Bis[μ-methylenebis(dicyclohexylphosphine)-<i>P</i>:<i>P</i>']bis[chloropalladium(I)](<i>Pd</i>—<i>Pd</i>) Diacetonitrile Solvate","Acta Crystallographica Section C","1998","54","9","1244","1247","10.1107/S0108270198004521","","","0.71069","MoKα","","0.16","0.064","","0.184","0.121","","","","1.034","1.069","1.069","","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007661","11.776","0.006","3.918","0.002","10.189","0.007","90","","100.59","0.04","90","","462.1","0.5","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li3 O13 V6 -","- Li4 O13 V6 -","- Li8 O26 V12 -","2","0.25","OS1007","Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.","Electrochemically Lithiated Vanadium Oxide, Li~3~V~6~O~13~","Acta Crystallographica Section C","1998","54","9","1204","1206","10.1107/S0108270198004211","","","0.71073","MolybdenumKᾱ","","0.095","0.095","","0.082","0.082","","","","1.69","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007662","7.5815","0.0008","9.9861","0.0009","10.2413","0.0012","78.417","0.009","88.559","0.009","71.491","0.008","719.66","0.14","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N6 O12 -","- C26 H24 Co N6 O12 -","- C26 H24 Co N6 O12 -","1","0.5","OS1013","Hökelek, Tuncer; Necefoğlu, Hacalı","<i>trans</i>-Diaquabis(nicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1998","54","9","1242","1244","10.1107/S0108270198004533","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007663","9.92","0.002","10.631","0.002","19.413","0.004","90","","92.35","0.03","90","","2045.6","0.7","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","Octakis(dimethylsulfoxide-O)gadolinium(III) hexacyanoferrate(III)","","","- C22 H48 Fe Gd N6 O8 S8 -","- C22 H48 Fe Gd N6 O8 S8 -","- C44 H96 Fe2 Gd2 N12 O16 S16 -","2","0.5","OS1014","Martti Klinga; Rafael Cuesta; José María Moreno; José Manuel Dominguez-Vera; Enrique Colacio; Raikko Kivekäs","Octakis(dimethyl sulfoxide-<i>O</i>)gadolinium(III) Hexacyanoferrate(III)","Acta Crystallographica Section C","1998","54","9","1275","1277","10.1107/S0108270198004545","","","0.71073","MoKα","","0.065","0.052","","0.121","0.116","","","","1.169","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007664","18.116","0.002","18.601","0.002","18.503","0.003","90","","95.87","0.01","90","","6202.4","1.4","294.2","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ce H60 Na8 O66 W10 -","- Ce Na8 O66 W10 -","- Ce4 Na32 O264 W40 -","4","0.5","QA0047","Rosu, Cristina; Weakley, Timothy J. R.","Redetermination of Sodium [Bis(pentatungstato)cerate(IV)](8 ‒) 30-Hydrate, Na~8~[Ce(W~5~O~18~)~2~].30H~2~O","Acta Crystallographica Section C","1998","54","9","IUC9800047","","10.1107/S0108270198099363","","","0.71073","MoKα","","","0.047","","","0.055","","","","","","","2.14","","","","has coordinates,has Fobs","198601","2020-10-21","18:00:00",""
"2007665","9.1202","0.0005","14.743","0.0008","17.7793","0.0009","90","","102.389","0.001","90","","2334.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(N,N,N',N'-Tetramethylethylenediamine-N,N')bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)","","- C16 H18 F12 Fe N2 O4 -","- C16 H18 F12 Fe N2 O4 -","- C64 H72 F48 Fe4 N8 O16 -","4","0.5","QA0049","Dickman, Michael H.","(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine-<i>N</i>,<i>N</i>')bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II)","Acta Crystallographica Section C","1998","54","9","IUC9800048","","10.1107/S010827019809934X","","","0.71073","MoKα","","0.044","0.037","","","","0.098","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007666","14.028","0.001","8.6312","0.0006","20.615","0.002","90","","108.21","0.01","90","","2371","0.4","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-n-butylammonium Bis(1,1-dicyanoethylene-2,2-dithiolato)nickelate(II)","","- C40 H72 N6 Ni S4 -","- C40 H72 N6 Ni S4 -","- C80 H144 N12 Ni2 S8 -","2","0.5","QB0057","Dong, Gang; Fronczek, Frank R.; Watkins, Steven F.; Bernal, Ivan","Bis(tetra-<i>n</i>-butylammonium) Bis(1,1-dicyanoethylene-2,2-dithiolato)nickelate(II)","Acta Crystallographica Section C","1998","54","9","IUC9800045","","10.1107/S0108270198099351","","","1.54184","CuKα","","","0.061","","","0.057","","","","","1.447","1.447","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007667","7.822","0.001","7.822","0.001","7.822","0.001","90","","90","","90","","478.58","0.11","173","2","173","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Strontium Nitrate","","- N2 O6 Sr -","- N2 O6 Sr -","- N8 O24 Sr4 -","4","0.166667","QB0061","El-Bali, Brahim; Bolte, Michael","Sr(NO~3~)~2~ at 173K","Acta Crystallographica Section C","1998","54","9","IUC9800046","","10.1107/S0108270198099375","","","0.71073","MoKα","","0.0292","0.0226","","","","0.0549","","","","","","1.246","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007669","9.9403","0.0006","25.4021","0.0014","10.587","0.0005","90","","91.808","0.005","90","","2671.9","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,4S,5R)-(-)-2-(1H-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C112 H136 N24 O8 -","8","4","SK1179","Gallagher, John F.; Briody, John M.; Cantwell, Brendan P.","N—H···N Hydrogen Bonding in the Four Independent Molecules of (2<i>S</i>,4<i>S</i>,5<i>R</i>)-({-})-2-(1<i>H</i>-Imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine, with C-H···π~arene~, C-H···O and C-H···π~C=C~ Interactions","Acta Crystallographica Section C","1998","54","9","1331","1335","10.1107/S0108270198004089","","","0.71073","MoKα","","0.068","0.038","","","","0.088","","","","","","1.009","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007670","6.189","0.001","10.614","0.001","16.16","0.001","90","","100.993","0.004","90","","1042.1","0.2","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-phenyl-1-[(2S)-(3,5-dinitrobenzoyloxy)-propyl]-(2R)-methyl cyclopentane","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","SK1180","Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy","Dinitrobenzoate Derivative of a Chiral Arylcyclopentane","Acta Crystallographica Section C","1998","54","9","1353","1355","10.1107/S0108270198004090","","","1.54178","CuKα","","0.045","0.044","","","","0.116","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007671","6.184","0.002","17.787","0.004","11.746","0.002","90","","91.65","0.02","90","","1291.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-O-benzoyl-myo-inositol-1,3,5-orthoformate","","- C14 H14 O7 -","- C14 H14 O7 -","- C56 H56 O28 -","4","1","SX1052","Samanta, Uttamkumar; Puranik, Vedavati G.; Chakrabarti, Pinak; Thoniyot, Praveen; Shashidhar, Mysore S.","2-<i>O</i>-Benzoyl-<i>myo</i>-inositol-1,3,5-orthoformate","Acta Crystallographica Section C","1998","54","9","1289","1291","10.1107/S0108270197017721","","","0.71073","MoKα","","0.0773","0.0679","","0.2223","0.2115","","","","1.082","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007672","15.638","0.003","8.65","0.002","15.778","0.002","90","","98.503","0.014","90","","2110.8","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)- trien-17β-yl Acetate","","- C24 H26 Cl N O3 -","- C24 H26 Cl N O3 -","- C96 H104 Cl4 N4 O12 -","4","2","SX1056","Bull, James R.; de Koning, Pieter D.","16α-Chloro-16β-cyano-3-methoxy-14,17α-ethenoestra-1,3,5(10)-trien-17β-yl Acetate","Acta Crystallographica Section C","1998","54","9","1281","1282","10.1107/S0108270198000584","","","0.71069","MoKα","","0.1568","0.064","","0.161","0.151","","","","0.972","1.299","1.299","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007673","17.9713","0.0012","5.6693","0.0009","13.9522","0.0011","90","0.001","126.87","0.0006","90","0.0011","1137.2","0.2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","ethylenediammonium bis(monohydrogenoxalate) monohydrate","","- C6 H14 N2 O9 -","- C6 H14 N2 O9 -","- C24 H56 N8 O36 -","4","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71069","MoKα","","0.0746","0.0447","","","","0.1199","","","","","","1.064","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007674","6.7954","0.0008","16.1594","0.0013","5.6307","0.001","90","","90","","90","","618.3","0.14","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate (β-form)","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C14 H32 N4 O18 -","2","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71073","MoKα","","0.052","0.0356","","","","0.1019","","","","","","1.005","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007675","14.6727","0.0019","7.3876","0.0006","11.3348","0.0018","90","","90","","90","","1228.6","0.3","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","trimethylenediammonium bis(monohydrogenoxalate) monohydrate","","- C7 H16 N2 O9 -","- C7 H16 N2 O9 -","- C28 H64 N8 O36 -","4","0.5","SX1061","Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.","Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate","Acta Crystallographica Section C","1998","54","9","1347","1351","10.1107/S0108270198003734","","","0.71079","MoKα","","0.0538","0.0367","","","","0.108","","","","","","0.982","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007676","7.9808","0.0007","11.72","0.001","16.468","0.001","90","","90","","90","","1540.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","TA1201","White, Jonathan M.; Clark, Christopher I.","2-(4-Bromo-2-nitrophenyl)-1-(4-dimethylaminophenyl)-1-ethanone","Acta Crystallographica Section C","1998","54","9","1304","1306","10.1107/S0108270198003989","","","1.5418","CuKα","","0.0768","0.0482","","","","0.1296","","","","","","1.037","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007677","6.4274","0.001","11.826","0.002","17.616","0.002","90","","90","","90","","1339","0.3","122.4","0.5","122.4","0.5","","","","","","","","4","P n a m","-P 2c 2n","62","methylammonium hydrogen maleate","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","AB1534","Madsen, Dennis; Larsen, Sine","Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion","Acta Crystallographica Section C","1998","54","10","1507","1511","10.1107/S0108270198003606","","","0.71073","MoKα","","0.074","0.05","","0.075","0.072","","","","2.203","2.439","2.439","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007678","8.4738","0.0008","8.3444","0.0013","11.5727","0.001","90","","98.729","0.008","90","","808.81","0.16","122.4","0.5","122.4","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dimethylammonium hydrogen maleate","","","- C6 H11 N O4 -","- C6 H11 N O4 -","- C24 H44 N4 O16 -","4","1","AB1534","Madsen, Dennis; Larsen, Sine","Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion","Acta Crystallographica Section C","1998","54","10","1507","1511","10.1107/S0108270198003606","","","0.71073","MoKα","","0.082","0.054","","0.076","0.072","","","","2.187","2.471","2.471","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007679","12.617","0.0011","13.5333","0.0015","18.8645","0.0016","79.129","0.012","79.32","0.01","73.004","0.011","2995.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H42 Si3 -","- C30 H42 Si3 -","- C120 H168 Si12 -","4","2","AB1538","Teng, Zhu; Stoeckli-Evans, Helen; Keese, Reinhart","A Tricyclic Trisiladiene","Acta Crystallographica Section C","1998","54","10","1473","1475","10.1107/S0108270198004661","","","0.71073","MoKα","","0.0797","0.0461","","","","0.1291","","","","","","0.86","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007680","25.601","0.008","12.694","0.003","18.153","0.005","90","","107.608","0.012","90","","5623","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dekakis(acetato)bis(μ~4~-oxo)tetrakis(piridine) dimanganese(III)tetramanganese(II) pyridine solvate","","- C45 H55 Mn6 N5 O22 -","- C44 H54 Mn6 N6 O22 -","- C176 H216 Mn24 N24 O88 -","4","0.5","AV1019","Karsten, Peter; Strähle, Joachim","Deca-μ-acetato-di-μ~4~-oxo-tetra(pyridine-<i>N</i>)dimanganese(III)tetramanganese(II) Pyridine Solvate","Acta Crystallographica Section C","1998","54","10","1403","1406","10.1107/S0108270198005861","","","0.71073","MoKα","","0.072","0.052","","0.148","","0.128","","","1.126","","","1.104","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007681","7.2582","0.0014","9.585","0.002","15.47","0.003","93.626","0.012","101.703","0.011","101.479","0.01","1026.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(chloro)tetrakis(pyridine)iron(II) Di(1,8-diazabicyclo[5.4.0]undec-7-ene hydrochloride)","","- C38 H54 Cl4 Fe N8 -","- C38 H54 Cl4 Fe N8 -","- C38 H54 Cl4 Fe N8 -","1","0.5","AV1020","Karsten, Peter; Strähle, Joachim","Bis(1,8-diazabicyclo[5.4.0]undec-7-en-8-ium) <i>trans</i>-Dichlorotetra(pyridine-<i>N</i>)iron(II) Dichloride","Acta Crystallographica Section C","1998","54","10","1406","1408","10.1107/S0108270198005873","","","1.5418","CuKα","","0.06","0.054","","0.161","","0.154","","","1.117","","","1.128","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007682","6.585","0.001","11.066","0.002","14.207","0.003","90","","101.45","0.03","90","","1014.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-cyano-6-phenylpyridine","","- C12 H7 Cl N2 -","- C12 H7 Cl N2 -","- C48 H28 Cl4 N8 -","4","1","AV1021","Cyrañski, Michal K.; Mieczkowski, Jȯzef","2-Chloro-3-cyano-6-phenylpyridine","Acta Crystallographica Section C","1998","54","10","1521","1523","10.1107/S0108270198006015","","","1.54178","CuKα","","0.064","0.05","","0.163","0.132","","","","1.032","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007683","10.326","0.001","8.67","0.001","10.72","0.001","90","","94.93","0.01","90","","956.17","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.058","0.023","","0.0457","0.043","","","","0.6","0.809","0.809","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007684","10.314","0.001","8.587","0.001","10.71","0.001","90","","94.95","0.01","90","","945.01","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0651","0.0269","","0.0473","0.0441","","","","0.759","0.959","0.959","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007685","10.312","0.001","8.457","0.001","10.683","0.001","90","","94.935","0.009","90","","928.2","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0638","0.0261","","0.0498","0.046","","","","0.785","0.973","0.973","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007686","10.4","0.001","8.089","0.001","10.658","0.001","90","","94.804","0.009","90","","893.46","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0528","0.0242","","0.0458","0.0432","","","","0.659","0.852","0.852","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007687","10.443","0.001","7.857","0.001","10.601","0.001","90","","94.57","0.01","90","","867.05","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0517","0.025","","0.049","0.0466","","","","0.7","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007688","10.457","0.001","7.619","0.001","10.477","0.001","90","","94.126","0.01","90","","832.56","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","AV1022","Boldyreva, Elena V.; Ahsbahs, Hans; Naumov, Dmitry Yu.; Kutoglu, Ali","Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa","Acta Crystallographica Section C","1998","54","10","1378","1383","10.1107/S0108270198004879","","","0.71073","MoKα","","0.0468","0.0242","","0.0486","0.0467","","","","0.71","0.881","0.881","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007689","12.03","0.002","13.652","0.003","15.462","0.003","87.91","0.03","77.62","0.03","72.56","0.03","2365.3","0.9","160","","160","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Fe3 N8 Ni2 S8 -","- C46 H30 Fe3 N8 Ni2 S8 -","- C92 H60 Fe6 N16 Ni4 S16 -","2","1","BK1370","Day, Michael W.; Qin, Jingui; Yang, Chuluo","Ferrocene, Ferrocenium and a Bis(maleonitriledithiolate) Complex of Nickel","Acta Crystallographica Section C","1998","54","10","1413","1416","10.1107/S0108270198002340","","","0.71073","MoKα","","0.049","0.035","","0.069","","0.064","","","1.44","","","1.5","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2007690","10.4968","0.0009","13.5","0.001","15.626","0.001","90","","96.986","0.006","90","","2197.9","0.3","294","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C96 H72 Cl4 N4 O24 S4 -","4","1","BK1376","Nancy N. Tsou; Richard G. Ball; Patrick J. Roy; Yves Leblanc","4-Chloro-2-{4-[<i>p</i>-(methylsulfonyl)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1,3-oxazol-3-yl}phenyl Acetate","Acta Crystallographica Section C","1998","54","10","1493","1494","10.1107/S0108270198003928","","","1.54184","CuKα","","","0.049","","","0.128","","","","","1.026","1.026","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2007691","11.5036","0.0006","12.8861","0.0006","14.8388","0.0009","102.351","0.004","98.342","0.005","103.493","0.004","2044.9","0.2","297","","","","","","","","","","","5","P -1","-P 1","2","","pyridine [2-{1-methoxy-2-acetyl-2-(ethoxycarbonyl)} ethyl-8-quinolinol-C,N, O] palladium(II)","","- C22 H22 N2 O5 Pd -","- C22 H22 N2 O5 Pd -","- C88 H88 N8 O20 Pd4 -","4","2","BK1380","Billodeaux, Damon R.; Fronczek, Frank R.; Yoneda, Akio; Newkome, George R.","[2-(2-Acetyl-2-ethoxycarbonyl-1-methoxyethyl)-8-quinolinolato-<i>C</i>,<i>N</i>,<i>O</i>](pyridine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1998","54","10","1439","1441","10.1107/S0108270198005538","","","0.71073","MoKα","","","0.045","","","0.048","","","","","2.26","2.26","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007692","14.489","0.0002","14.489","0.0002","21.5432","0.0003","90","","90","","90","","4522.59","0.11","295","","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","octakis-tetramethylammonium acetate,docosavanadate hydrate","","- C34 H107.5 N8 O60.25 V22 -","- C34 H48 N8 O60.26 V22 -","- C68 H96 N16 O120.52 V44 -","2","0.25","BK1386","Chirayil, Thomas; Zavalij, Peter Y.; Whittingham, M. Stanley","The Inserting Host‒Guest System in [N(CH~3~)~4~]~8~[(CH~3~COO)V~22~O~54~].4.25H~2~O","Acta Crystallographica Section C","1998","54","10","1441","1444","10.1107/S0108270198006404","","","0.71073","MoKα","","","0.052","","","0.076","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007693","11.479","0.002","12.828","0.002","22.475","0.003","89.04","0.01","84.8","0.01","69.19","0.01","3080.4","0.9","153","2","153.2","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H78 Cl2 F12 N6 O14 P2 Ru -","- C49 H78 Cl2 F12 N6 O14 P2 Ru -","- C98 H156 Cl4 F24 N12 O28 P4 Ru2 -","2","1","BK1387","Dong I. Yoon; Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14","Acta Crystallographica Section C","1998","54","10","1427","1431","10.1107/S010827019800554X","","","0.7107","MoKα","","0.068","0.047","","0.081","0.073","","","","1.292","1.89","1.89","","","","","has coordinates","202200","2020-10-21","18:00:00",""
"2007694","9.004","0.002","7.065","0.002","9.851","0.003","90","","97.96","0.02","90","","620.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxymethyl-4-methyl-2-oxazolidinone","","- C5 H9 N O3 -","- C5 H9 N O3 -","- C20 H36 N4 O12 -","4","1","BK1395","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Fleury, Jennifer R.; Maddox, Spencer D.","Two Oxazolidinone Derivatives","Acta Crystallographica Section C","1998","54","10","1529","1532","10.1107/S0108270198005654","","","0.71073","MoKα","","0.073","0.045","","0.122","0.106","","","","1.058","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007695","10.45","0.003","8.198","0.003","17.497","0.007","90","","106.85","0.03","90","","1434.6","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-ethyl-4-hydroxymethyl-2-oxazolidinone","","- C6 H11 N O3 -","- C6 H11 N O3 -","- C48 H88 N8 O24 -","8","1","BK1395","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Fleury, Jennifer R.; Maddox, Spencer D.","Two Oxazolidinone Derivatives","Acta Crystallographica Section C","1998","54","10","1529","1532","10.1107/S0108270198005654","","","0.71073","MoKα","","0.046","0.037","","0.103","0.096","","","","1.081","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007696","12.544","0.001","9.017","0.002","15.12","0.001","90","","110.54","0.01","90","","1601.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-di-η^5^-cyclopentadienyl-1,2-dinickela-closo-dodecaborane","","- C10 H20 B10 Ni2 -","- C10 H20 B10 Ni2 -","- C40 H80 B40 Ni8 -","4","1","BM1225","Jian-Min Dou; Chun-Hua Hu; Jian-Ming Gu; Yong Nie; Hai-Jun Yao; Ruo-Shui Jin; Pei-Ju Zheng","A <i>closo</i>-12-Vertex Dinickelaborane: [(η^5^-C~5~H~5~)~2~Ni~2~B~10~H~10~]","Acta Crystallographica Section C","1998","54","10","1418","1419","10.1107/S0108270198004077","","","0.71073","MoKα","","","0.0343","","","","0.0989","","","","","","1.1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007697","9.735","0.003","12.7753","0.0008","9.735","0.003","90","","110.58","0.002","90","","1133.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-crotonoyl-5,8-dihydro-1-naphthol","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BM1234","Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)","Acta Crystallographica Section C","1998","54","10","1496","1499","10.1107/S0108270198005599","","","0.71073","MoKα","","0.072","0.051","","0.134","0.118","","","","1.096","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007698","12.2964","0.0002","16.2109","0.0003","7.8517","0.0002","90","","103.197","0.002","90","","1523.79","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1-naphthoyl)-5,8-dihydro-1-naphthol","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BM1234","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan","2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)","Acta Crystallographica Section C","1998","54","10","1496","1499","10.1107/S0108270198005599","","","0.71073","MoKα","","0.149","0.059","","0.134","0.101","","","","1.005","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007699","14.131","0.003","8.281","0.002","15.473","0.003","90","","108.36","0.02","90","","1718.5","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,10aRS)-3-Imino-1-(2-thienyl)-1,2,3,9,10,10a-hexahydrophenanthrene-2,2,4- tricarbonitrile","","- C21 H14 N4 S -","- C21 H14 N4 S -","- C84 H56 N16 S4 -","4","1","BM1245","Elgemeie, Galal E. H.; Farag, Dalia S.; Jones, Peter G.","(1<i>RS</i>,10a<i>RS</i>)-3-Imino-1-(2-thienyl)-1,2,3,9,10,10a-hexahydrophenanthrene-2,2,4-tricarbonitrile","Acta Crystallographica Section C","1998","54","10","1466","1468","10.1107/S0108270198005022","","","0.71073","MoKα","","0.108","0.043","","0.078","0.065","","","","0.791","0.979","0.979","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007700","11.017","0.003","11.511","0.003","14.292","0.003","100.61","0.02","103.52","0.02","117.69","0.02","1467.4","0.8","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","trans-1,3-Diethoxy-5,5-dimethyl-1,3-diphospha-5-silacyclohexane-1,3-dione","","- C9 H22 O4 P2 Si -","- C9 H22 O4 P2 Si -","- C36 H88 O16 P8 Si4 -","4","2","BM1247","Jones, Peter G.; Weinkauf, Andreas","<i>trans</i>-1,3-Diethoxy-5,5-dimethyl-1,3-diphospha-5-silacyclohexane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1449","1451","10.1107/S0108270198006337","","","0.71073","MoKα","","0.039","0.032","","0.089","0.084","","","","1.044","1.059","1.059","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007701","7.313","0.002","9.028","0.002","18.61","0.005","90","","97.34","0.02","90","","1218.6","0.5","178","2","178","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","","- C8 H18 O4 P2 -","- C8 H18 O4 P2 -","- C32 H72 O16 P8 -","4","1","BM1249","Jones, Peter G.; Fischer, Axel K.","<i>cis</i>- and <i>trans</i>-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1451","1453","10.1107/S0108270198006349","","","0.71073","MoKα","","0.058","0.04","","0.121","0.103","","","","1.032","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007702","7.431","0.002","18.715","0.005","17.183","0.006","90","","99.06","0.03","90","","2359.8","1.2","178","2","178","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","","- C8 H18 O4 P2 -","- C8 H18 O4 P2 -","- C64 H144 O32 P16 -","8","2","BM1249","Jones, Peter G.; Fischer, Axel K.","<i>cis</i>- and <i>trans</i>-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione","Acta Crystallographica Section C","1998","54","10","1451","1453","10.1107/S0108270198006349","","","0.71073","MoKα","","0.059","0.038","","0.105","0.09","","","","1.053","1.046","1.046","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007703","25.108","0.01","10.954","0.005","8.547","0.004","90","","94.82","0.04","90","","2342.4","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cis-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane","","- C7 H16 O5 P2 -","- C7 H16 O5 P2 -","- C56 H128 O40 P16 -","8","1","BM1250","Jones, Peter G.; Weinkauf, Andreas","<i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione","Acta Crystallographica Section C","1998","54","10","1453","1456","10.1107/S0108270198006155","","","0.71073","MoKα","","0.047","0.036","","0.105","0.096","","","","1.031","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007704","9.058","0.002","15.312","0.003","8.27","0.002","90","","90","","90","","1147","0.4","178","2","178","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane","","- C7 H16 O5 P2 -","- C7 H16 O5 P2 -","- C28 H64 O20 P8 -","4","1","BM1250","Jones, Peter G.; Weinkauf, Andreas","<i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione","Acta Crystallographica Section C","1998","54","10","1453","1456","10.1107/S0108270198006155","","","0.71073","MoKα","","0.036","0.03","","0.08","0.076","","","","1.027","1.033","1.033","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007705","9.887","0.002","12.666","0.003","20.345","0.004","90","","102.78","0.02","90","","2484.7","0.9","178","2","178","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{Difluoromethane-bis(diisopropylphosphonite)}tetracarbonylmolybdenum(0)","","- C17 H28 F2 Mo O8 P2 -","- C17 H28 F2 Mo O8 P2 -","- C68 H112 F8 Mo4 O32 P8 -","4","1","BM1251","Jones, Peter G.","Tetracarbonyl[difluoromethylenebis(diisopropoxyphosphine-<i>P</i>)]molybdenum(0)","Acta Crystallographica Section C","1998","54","10","1447","1448","10.1107/S0108270198005885","","","0.71073","MoKα","","0.038","0.027","","","","0.072","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007706","13.756","0.002","8.9663","0.0014","11.6831","0.0018","90","","99.828","0.01","90","","1419.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[Ethanediylbis(aminomethylene)]bis(pentane-2,4-dione)","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","0.5","BM1271","König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.","3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product","Acta Crystallographica Section C","1998","54","10","1468","1471","10.1107/S0108270198009263","","","0.71073","MoKα","","0.066","0.04","","0.093","0.087","","","","0.909","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007707","8.542","0.003","9.406","0.003","30.213","0.008","90","","90","","90","","2427.5","1.3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","[{6,13-diacetyl-5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca- 4,6,11,13-tetraenato(2-)}nickel(II)] deuterochloroform solvate (1:2)","","- C18 H22 Cl6 D2 N4 Ni O2 -","- C18 H24 Cl6 N4 Ni O2 -","- C72 H96 Cl24 N16 Ni4 O8 -","4","1","BM1271","König, Burkhard; Pelka, Mario; Dix, Ina; Jones, Peter G.","3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product","Acta Crystallographica Section C","1998","54","10","1468","1471","10.1107/S0108270198009263","","","0.71073","MoKα","","0.036","0.031","","","","0.069","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007708","12.414","0.003","11.891","0.003","9.062","0.002","90","","94.23","0.02","90","","1334","0.6","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2;4,5-Di-O-isopropylidene-galactitol","","- C12 H22 O6 -","- C12 H22 O6 -","- C48 H88 O24 -","4","1","BM1272","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","1,2:4,5-Di-<i>O</i>-isopropylidenegalactitol","Acta Crystallographica Section C","1998","54","10","1471","1473","10.1107/S0108270198009275","","","0.71073","MoKα","","0.106","0.058","","","","0.118","","","","","","1.063","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007709","7.664","0.002","7.664","0.002","10.241","0.002","90","","90","","90","","601.5","0.3","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","Disodium Europium Zinc Diphosphate","Disodium Europium Zinc Diphosphate","","- Eu0.02 Na1.94 O7 P2 Zn -","- Eu0.017 Na1.948 O7 P2 Zn -","- Eu0.068 Na7.792 O28 P8 Zn4 -","4","0.25","BR1194","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate","Acta Crystallographica Section C","1998","54","10","1373","1376","10.1107/S0108270198006246","","","0.71073","MoKα","","0.083","0.059","","","0.137","0.137","","","","1.229","1.229","1.229","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007710","7.656","0.001","7.656","0.001","10.233","0.002","90","","90","","90","","599.8","0.16","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","Disodium Zinc Diphosphate","Disodium Zinc Diphosphate","","- Na2 O7 P2 Zn -","- Na2 O7 P2 Zn -","- Na8 O28 P8 Zn4 -","4","0.25","BR1194","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate","Acta Crystallographica Section C","1998","54","10","1373","1376","10.1107/S0108270198006246","","","0.71073","MoKα","","0.052","0.039","","","0.102","0.102","","","","1.113","1.113","1.113","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007711","13.196","0.002","13.196","0.002","7.943","0.003","90","","90","","120","","1197.8","0.5","183","","183","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Potassium pentasilver trisulfide","","- Ag5 K S3 -","- Ag5 K S3 -","- Ag30 K6 S18 -","6","0.5","BR1202","Emirdag, Mehtap; Schimek, George L.; Kolis, Joseph W.","KAg~5~S~3~","Acta Crystallographica Section C","1998","54","10","1376","1378","10.1107/S0108270198003680","","","0.71073","MoKα","","0.084","0.062","","0.069","0.04","","","","","2.71","2.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007712","9.617","0.002","10.209","0.002","12.721","0.003","90","","110.55","0.03","90","","1169.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Benzenediamine N-[(3-nitrophenyl)methylene]","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","CF1208","Yang, Qing-chuan; Tang, You-qi; Yang, Wen-jun; Chen, Hui-ying","<i>N</i>-(3-Nitrobenzylidene)-<i>p</i>-phenylenediamine","Acta Crystallographica Section C","1998","54","10","1532","1534","10.1107/S0108270198004818","","","0.71073","MoKα","","0.101","0.052","","","","0.159","","","","","","1.088","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007713","13.002","0.009","9.329","0.006","22.798","0.014","90","","95.21","0.05","90","","2754","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,2,5,6,dibenzofluorenone","13-H-Dibenzo[a,g]fluoren-13-one","","- C21 H12 O -","- C21 H12 O -","- C168 H96 O8 -","8","1","CF1248","Morris, David G.; Ryder, Karl S.; Howie, R. Alan","13<i>H</i>-Dibenzo[<i>a</i>,<i>g</i>]fluoren-13-one","Acta Crystallographica Section C","1998","54","10","1542","1544","10.1107/S0108270198006167","","","0.71073","MoKα","","0.101","0.052","","","","0.136","","","","","","1.01","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007714","11.4712","0.0008","12.3457","0.0008","20.582","0.002","90","","90","","90","","2914.8","0.4","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","CF1250","Brady, Fiona; Gallagher, John F.; Kenny, Peter T. M.","O—H···O, C—H···O and C—H···π~arene~ Intermolecular Interactions in (2<i>R</i>/2<i>S</i>)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid","Acta Crystallographica Section C","1998","54","10","1523","1525","10.1107/S0108270198005678","","","0.7107","MoKα","","0.085","0.041","","","","0.098","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007715","13.274","0.002","12.214","0.004","15.044","0.003","90","","110.606","0.014","90","","2283","1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,8-Dimethylphenoxathiin-10-oxide","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","2","CF1253","Bennett, Stephen R.; Kennedy, Alan R.; Khalaf, Abedawn I.; Waigh, Roger D.","2,8-Dimethylphenoxathiin 10-Oxide","Acta Crystallographica Section C","1998","54","10","1511","1513","10.1107/S0108270198005903","","","0.71069","MoKα","","0.107","0.058","","","","0.17","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007716","10.5933","0.0006","8.8517","0.0007","11.3495","0.0006","90","","91.606","0.004","90","","1063.81","0.12","287","2","287","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","10-bornanesulfonic acid 2-hydroxy-γ-sultone","endo-10,10-dimethyl-4-oxa-5-thiatricyclo[5.2.1.0^3,7^]decane-S,S-dioxide","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","CF1262","Muir, Kenneth W.; Rodger, Colin S.; Morris, David G.; Ryder, Karl S.","A Sultone Derived from Racemic Camphene","Acta Crystallographica Section C","1998","54","10","1546","1548","10.1107/S0108270198006179","","","0.71073","MoKα","","0.056","0.035","","0.11","0.095","","","","1.008","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007717","8.7171","0.0008","10.9766","0.0012","21.946","0.004","90","","90","","90","","2099.9","0.5","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gomisin N","1,2,3,12-tetramethoxy-6,7-dimethyl- 10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","DA1014","Marek, Jaromír; Slanina, Jiří","Gomisin N","Acta Crystallographica Section C","1998","54","10","1548","1550","10.1107/S0108270198006489","","","0.71073","MoKα","","0.055","0.036","","","","0.1","","","","","","0.955","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007718","22.7727","0.0004","38.3529","0.0007","9.631","0.0002","90","","90","","90","","8411.7","0.3","297","2","297","2","","","","","","","","3","F d d 2","F 2 -2d","43","calanone","","","- C27 H20 O5 -","- C27 H20 O5 -","- C432 H320 O80 -","16","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.039","0.034","","0.084","0.081","","","","1.036","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007719","6.0017","0.0003","27.3003","0.0013","12.8273","0.0006","90","","95.303","0.001","90","","2092.73","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","isocalanone","","","- C27 H20 O5 -","- C27 H20 O5 -","- C108 H80 O20 -","4","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.08","0.049","","0.12","0.107","","","","1.053","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007720","9.0418","0.0005","16.7577","0.001","14.1879","0.0009","90","","106.315","0.001","90","","2063.2","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","teysmanone A","","","- C27 H20 O5 -","- C27 H20 O5 -","- C108 H80 O20 -","4","1","DE1085","Vittal, Jagadese J.; Cao, Shu-Geng; Goh, Swee-Hock; Tan, Goek-Kheng; Sim, Keng-Yeow","Three Novel Isomeric Pyranocoumarins from <i>Calophyllum teysmannii</i>: Calanone, Isocalanone and Teysmanone A","Acta Crystallographica Section C","1998","54","10","1536","1540","10.1107/S0108270198005691","","","0.71073","MoKα","","0.092","0.056","","0.128","0.114","","","","1.057","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007721","7.074","0.001","11.052","0.001","15.086","0.002","90.22","0.01","91.85","0.01","105.37","0.01","1136.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","potassium(benzo-15-crown-5)picrate","[Potassium(2,3-benzo-1,4,7,10,13-pentaoxacyclopenta-dec-2-ene)picrate]","","- C20 H22 K N3 O12 -","- C20 H22 K N3 O11.98 -","- C40 H44 K2 N6 O23.96 -","2","1","FG1402","Dong, Wenkui; Yang, Rudong; Yu, Kaibei","<i>catena</i>-Poly[[(2,3-benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene-κ^5^<i>O</i>)potassium]-μ-(picrato-<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^5^)]","Acta Crystallographica Section C","1998","54","10","1416","1418","10.1107/S0108270198003151","","","0.71073","MoKα","","0.062","0.048","","0.146","0.139","","","","1.1","1.203","1.203","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007722","13.18","0.002","13.555","0.003","13.267","0.002","90","","118.23","0.02","90","","2088.3","0.8","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-1,16-distanna-3,14,18,29- tetrasila(5,5)ferrocenophane","","- C36 H60 Fe2 Si4 Sn2 -","- C36 H60 Fe2 Si4 Sn2 -","- C72 H120 Fe4 Si8 Sn4 -","2","0.5","FG1430","Olivier Gausset; Guylaine Delpon-Lacaze; Markus Schürmann; Klaus Jurkschat","1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-3,14,18,29-tetrasila-1,16-distanna[5.5]ferrocenophane","Acta Crystallographica Section C","1998","54","10","1425","1427","10.1107/S0108270198006088","","","0.71069","MoKα","","0.034","0.022","","0.054","0.05","","","","1.054","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007723","8.207","0.002","17.445","0.002","11.151","0.001","90","","93.69","0.01","90","","1593.2","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-aminoisophthalic acid hemihydrate","","","- C8 H8 N O4.5 -","- C8 H8 N O4.5 -","- C64 H64 N8 O36 -","8","1","FG1449","Dobson, Allison J.; Gerkin, Roger E.","5-Aminoisophthalic Acid Hemihydrate","Acta Crystallographica Section C","1998","54","10","1503","1505","10.1107/S0108270198005915","","","0.71073","MoKα","","","0.043","","","0.074","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007724","7.2501","0.0005","22.917","0.0002","9.1648","0.0007","90","","92.443","0.009","90","","1521.35","0.16","220","2","220","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 I6 N2 Pd2 S4 -","- C12 H26 Cl2 I6 N2 Pd2 S4 -","- C24 H52 Cl4 I12 N4 Pd4 S8 -","2","0.5","FG1461","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Dichloro(μ-[18]aneN~2~S~4~)dipalladium(II) Bis(triiodide)","Acta Crystallographica Section C","1998","54","10","1408","1410","10.1107/S0108270198005927","","","0.71073","MoKα","","0.051","0.035","","","","0.087","","","","","","1.03","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007725","10.005","0.002","16.556","0.002","3.927","0.001","90","","99.26","0.01","90","","642","0.2","293","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H6 S2 -","- C16 H6 S2 -","- C32 H12 S4 -","2","0.5","FR1072","Sarkar, Abhijit; Komatsu, Kyoji; Okada, Shuji; Matsuda, Hiro; Nakanishi, Hachiro","1,8-Bis(2-thienyl)-1,3,5,7-octatetrayne","Acta Crystallographica Section C","1998","54","10","1519","1521","10.1107/S0108270198005605","","","0.71073","MoKα","","","0.074","","","0.056","","","","","1.805","1.805","","","","","has coordinates,has disorder","200209","2020-10-21","18:00:00",""
"2007726","5.9103","0.0004","28.2842","0.0019","5.0635","0.0003","90","","93.975","0.007","90","","844.42","0.1","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","S,S-trans-2,3-tetralindiol","(S,S)-trans-1,2,3,4-tetrahydro-2,3-naphthalenediol","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","FR1110","Michael A. Lloyd; Garth E. Patterson; Brock, Carolyn Pratt","(<i>S</i>,<i>S</i>)-<i>trans</i>-2,3-Tetralindiol","Acta Crystallographica Section C","1998","54","10","1486","1488","10.1107/S010827019800537X","","","0.71073","MoKα","","0.069","0.031","","0.076","0.065","","","","1.021","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007727","19.862","0.001","21.301","0.001","9.758","0.001","90","","90","","90","","4128.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","2","HA1213","Chitra Samanta; Alok Kumar Mukherjee; Monika Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-ethyltriazene 1-Oxide","Acta Crystallographica Section C","1998","54","10","1544","1546","10.1107/S0108270198003862","","","1.54178","CuKα","","0.0811","0.0489","","0.1342","0.1211","","","","0.948","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007728","8.4255","0.0002","8.5771","0.0002","14.5531","0.0002","89.692","0.001","85.374","0.002","61.295","0.001","918.78","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,6-dihydroxy-4-(6'-hydroxy-2',4'-dimethoxy-3'-methylbenzoyloxy)-3- methylbenzoate","","- C19 H20 O9 -","- C19 H20 O9 -","- C38 H40 O18 -","2","1","HA1218","Kan Chantrapromma; Rapeeporn Sortiruk; Suchada Chantrapromma; Chanita Ponglimanont; Hoong-Kun Fun; Kandasamy Chinnakali","Methyl 2,6-Dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyloxy)-3-methylbenzoate","Acta Crystallographica Section C","1998","54","10","1494","1496","10.1107/S0108270198005058","","","0.71073","MoKα","","0.0667","0.0492","","0.1493","0.1313","","","","1.054","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007729","17.298","0.001","10.738","0.001","12.453","0.001","90","","95.43","0.01","90","","2302.7","0.3","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-t-butyl cis-transoid-cis-perhydro-3,3,6,6-tetramethyl-1,4- dioxocyclobuta[1,2-c:3,4-c']-dipyrrole-2,5-dicarboxylate","","- C22 H34 N2 O6 -","- C22 H34 N2 O6 -","- C88 H136 N8 O24 -","4","0.5","JZ1280","Kopf, Jürgen; Wrobel, Matthias Nils; Margaretha, Paul","The 3,3,6,6-Tetramethyl <i>cis</i>-<i>transoid</i>-<i>cis</i>-Photocyclodimer of <i>tert</i>-Butyl 2,5-Dihydro-5,5-dimethyl-2-oxo-1<i>H</i>-pyrrole-1-carboxylate","Acta Crystallographica Section C","1998","54","10","1499","1501","10.1107/S0108270198005344","","","1.54178","CuKα","","0.045","0.045","","","","0.114","","","","","","1.078","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007730","12.386","0.002","11.732","0.002","12.845","0.002","90","","112.08","0.01","90","","1729.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(diisopropylammonium) hexafluorosilicate(IV)","","- C12 H32 F6 N2 Si -","- C12 H32 F6 N2 Si -","- C48 H128 F24 N8 Si4 -","4","0.5","JZ1289","Reiß, Guido J.","Bis(diisopropylammonium) Hexafluorosilicate(IV)","Acta Crystallographica Section C","1998","54","10","1489","1491","10.1107/S010827019800609X","","","0.71073","MoKα","","0.042","0.03","","","","0.076","","","","","","1.036","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007731","11.0034","0.0002","27.2848","0.0004","6.7194","0.0001","90","","90","","90","","2017.34","0.06","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","1,1-Bis-(N-Methylimidazol)-silacyclohexane dibromide acetonitrile solvate","","- C15 H25 Br2 N5 Si -","- C15 H25 Br2 N5 Si -","- C60 H100 Br8 N20 Si4 -","4","1","JZ1295","Hensen, Karl; Gebhardt, Frank; Bolte, Michael","3,3'-(1-Silacyclohexane-1,1-diyl)bis(1-methylimidazolium) Dibromide Acetonitrile Solvate at 173K","Acta Crystallographica Section C","1998","54","10","1462","1464","10.1107/S0108270198006763","","","0.71073","MoKα","","0.073","0.065","","0.172","0.164","0.172","","","1.01","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007732","11.711","0.001","11.711","0.001","11.696","0.001","90","","90","","90","","1604.1","0.2","298","2","298","2","","","","","","","","6","I -4 2 m","I -4 2","121","Tetrabetainecopper(II) perchlorate","Tetrakis(trimethylammonioacetato-O)copper(II) diperchlorate","","- C20 H44 Cl2 Cu N4 O16 -","- C20 H44 Cl2 Cu N4 O16 -","- C40 H88 Cl4 Cu2 N8 O32 -","2","0.125","KA1268","Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang","Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate","Acta Crystallographica Section C","1998","54","10","1389","1393","10.1107/S010827019800523X","","","0.71073","MoKα","","0.034","0.034","","","","0.087","","","","","","0.936","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007733","12.6528","0.0008","25.849","0.001","5.7717","0.0004","90","","102.626","0.004","90","","1842.06","0.19","298","2","298","2","","","","","","","","7","C 1 m 1","C -2y","8","Sodium tetrabetainecopper(II) perchlorate","Perchlorato-2κO-bis(μ-trimethylammonioacetato)-1:2κ^4^O- bis(trimethylammonioacetato)-1κ^2^O-coppersodium diperchlorate","","- C20 H44 Cl3 Cu N4 Na O20 -","- C20 H44 Cl3 Cu N4 Na O20 -","- C40 H88 Cl6 Cu2 N8 Na2 O40 -","2","0.5","KA1268","Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang","Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate","Acta Crystallographica Section C","1998","54","10","1389","1393","10.1107/S010827019800523X","","","0.71073","MoKα","","0.085","0.075","","","","0.195","","","","","","1.466","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007734","12.167","0.001","14.712","0.002","10.18","0.001","90","","103.48","0.01","90","","1772","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazole-N^3^)copper(II)-μ-aqua-μ- acetylenedicarboxylato-O:O']","","- C18 H14 Cu N4 O5 -","- C18 H14 Cu N4 O5 -","- C72 H56 Cu4 N16 O20 -","4","0.5","KA1272","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-acetylenedicarboxylato-<i>O</i>:<i>O</i>'-μ-aqua] and Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-aqua-μ-fumarato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","10","1431","1435","10.1107/S0108270198004880","","","0.71073","MoKα","","0.034","0.028","","","0.069","0.071","","","","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007735","12.941","0.002","13.292","0.002","10.398","0.002","90","","100.09","0.01","90","","1760.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazole-N^3^)copper(II)-μ-aqua-μ-fumarato-O:O']","","- C18 H16 Cu N4 O5 -","- C18 H16 Cu N4 O5 -","- C72 H64 Cu4 N16 O20 -","4","0.5","KA1272","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-acetylenedicarboxylato-<i>O</i>:<i>O</i>'-μ-aqua] and Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-aqua-μ-fumarato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1998","54","10","1431","1435","10.1107/S0108270198004880","","","0.71073","MoKα","","0.048","0.035","","","0.076","0.079","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007736","9.346","0.002","4.5979","0.0012","13.7798","0.0014","90","","105.164","0.011","90","","571.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-carboxy-2-pyridone","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","KA1286","Sawada, Keiju; Ohashi, Yuji","2-Oxo-1,2-dihydropyridine-6-carboxylic Acid","Acta Crystallographica Section C","1998","54","10","1491","1493","10.1107/S0108270198007446","","","1.54184","CuKα","","0.093","0.051","","","","0.161","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007737","6.6977","0.0007","7.9438","0.0005","10.81","0.0013","72.643","0.008","85.549","0.009","88.011","0.007","547.26","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","Complex of (-)-Morphine with β-Phenylhydracrylic Acid","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C26 H29 N O6 -","1","1","LN1054","Lutz, Martin; Spek, Anthony L.","Complex of ({-})-Morphine with β-Phenylhydracrylic Acid","Acta Crystallographica Section C","1998","54","10","1477","1479","10.1107/S010827019800506X","","","0.71073","MoKα","","0.1096","0.0507","","","","0.1215","","","","","","1.049","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007738","11.632","0.003","11.835","0.002","22.412","0.004","90","","100.28","0.03","90","","3035.8","1.1","210","2","210","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cl2 I7 Rh S4 -","- C12 H24 Cl2 I7 Rh S4 -","- C48 H96 Cl8 I28 Rh4 S16 -","4","1","LN1058","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","<i>trans</i>-Dichloro([16]aneS~4~)rhodium(III) Pentaiodide Diiodine","Acta Crystallographica Section C","1998","54","10","1410","1413","10.1107/S0108270198005964","","","0.71073","MoKα","","0.09","0.062","","0.134","0.116","","","","1.235","1.225","1.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007739","7.32","0.005","8.307","0.005","16.399","0.005","81.23","0.05","98.52","0.05","104.46","0.05","948","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O4 S3 -","- C18 H17 N O4 S3 -","- C36 H34 N2 O8 S6 -","2","1","MU1359","D.TranQui; P. Fresneau; M.Cussac","(<i>Z</i>)-5-(2-Naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1998","54","10","1501","1503","10.1107/S0108270198004600","","","0.71073","MoKα","","0.0573","0.0437","","0.137","0.1","","","","0.974","0.897","0.897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007740","9.0038","0.0006","12.413","0.0005","6.6728","0.0008","96.458","0.006","99.231","0.008","75.48","0.004","710.57","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Hydroxy-3-Methoxycarbonyl-2-Dimethoxyphosphoryl-2H-1-Benzopyran","","- C13 H15 O7 P -","- C13 H15 O8 P -","- C26 H30 O16 P2 -","2","1","NA1323","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Modranka, R.; Kostka, K.; Olszak, Agnieszka","2<i>H</i>-1-Benzopyrans. III. 4-Hydroxy-3-methoxycarbonyl-2-dimethoxyphosphoryl-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1998","54","10","1459","1461","10.1107/S0108270198005241","","","1.54178","CuKα","","0.055","0.047","","0.142","0.139","","","","1.142","1.231","1.231","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007741","9.118","0.001","9.149","0.002","17.633","0.001","90","","95.17","0.01","90","","1465","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6,7-dihydroxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-phenyl-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C15 H18 Cl N O3 -","- C15 H18 Cl N O3 -","- C60 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.055","0.027","","","","0.057","","","","","","0.788","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007742","7.846","0.002","19.956","0.004","9.751","0.001","90","","94.6","0.01","90","","1521.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.076","0.033","","","","0.062","","","","","","0.751","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007743","15.1362","0.0008","15.8851","0.0007","11.861","0.001","90","","90","","90","","2851.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.051","0.032","","","","0.084","","","","","","0.914","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007744","9.747","0.005","14.882","0.004","15.48","0.005","90","","90","","90","","2245.4","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10- vinylacridin-9-yl-methyl acetate","","- C23 H31 N O4 -","- C23 H31 N O4 -","- C92 H124 N4 O16 -","4","1","NA1326","R. Sankaranarayanan; D. Velmurugan; P. Murugan; N.Ramasubbu","1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10-vinylacridin-9-ylmethyl Acetate","Acta Crystallographica Section C","1998","54","10","1534","1535","10.1107/S0108270198005356","","","1.5418","CuKα","","0.108","0.052","","0.158","0.13","","","","1.089","1.175","1.175","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007745","11.301","0.002","8.665","0.001","13.422","0.001","90","","107.77","0.01","90","","1251.6","0.3","295","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","NA1359","Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim","2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime","Acta Crystallographica Section C","1998","54","10","1513","1515","10.1107/S0108270198005071","","","0.71069","MoKα","","","0.0452","","","0.0529","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007746","19.799","0.004","8.914","0.002","8.411","0.002","90","","107.75","0.01","90","","1413.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tiosemicarbazide dihydrogen phosphate","Thiosemicarbazonium dihydrogen phosphate","","- C H8 N3 O4 P S -","- C H8 N3 O4 P S -","- C8 H64 N24 O32 P8 S8 -","8","1","NA1366","Waśkowska, Alicja","Thiosemicarbazid-1-ium Dihydrogenphosphate","Acta Crystallographica Section C","1998","54","10","1540","1542","10.1107/S0108270198006118","","","0.71073","MoKα","","0.061","0.039","","0.093","0.09","","","","1.049","1.107","1.107","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2007747","8.279","0.0001","13.2031","0.0001","9.6525","0.0001","90","","102.852","0.001","90","","1028.67","0.019","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-4-methyl-heptanedinitrile","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","NA1367","Bolte, Michael; Pfizer, José; Weigand, Barbara-Sylvia","4-Acetyl-4-methylheptanedinitrile at 173K","Acta Crystallographica Section C","1998","54","10","1461","1462","10.1107/S0108270198006210","","","0.71073","MoKα","","0.044","0.04","","0.108","0.104","0.108","","","1.076","","","1.076","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007748","11.951","0.004","10.59","0.004","28.852","0.002","90","","91.57","0.01","90","","3650.2","1.9","296.2","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 F6 N4 Ni O2 S2 -","- C32 H48 F6 N4 Ni O2 S2 -","- C128 H192 F24 N16 Ni4 O8 S8 -","4","1","OA1048","Ueyama, Norikazu; Tuji, Tomo-aki; Okamura,Taka-aki; Nakamura, Akira","Bis(tetraethylammonium) Bis[2-(trifluoroacetylamidato)benzenethiolato(2‒)-<i>S</i>,<i>N</i>]nickelate(II)","Acta Crystallographica Section C","1998","54","10","1424","1425","10.1107/S0108270198005551","","","0.7107","MoKα","","","0.045","","","0.047","","","","","1.828","1.828","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007749","9.872","0.001","15.779","0.001","7.229","0.001","96.31","0.01","91.13","0.01","82.2","0.01","1108.9","0.2","298.2","","298.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C52 H56 N4 O4 -","2","1","OA1057","Mizuguchi, Jin","3,6-Bis(4-<i>tert</i>-butylphenyl)-1,2,4,5-tetrahydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section C","1998","54","10","1482","1484","10.1107/S0108270198005563","","","1.5418","CuKα","","","0.061","","","0.087","","","","","1.286","1.286","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007750","4.737","0.001","32.45","0.003","9.507","0.001","90","","100.27","0.01","90","","1438","0.4","298.2","","298.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C80 H52 N4 O8 -","2","0.5","OA1058","Mizuguchi, Jin","<i>N</i>,<i>N</i>'-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)","Acta Crystallographica Section C","1998","54","10","1479","1481","10.1107/S0108270198005575","","","1.5418","CuKα","","","0.076","","","0.109","","","","","1.34","1.34","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007751","14.939","0.003","6.078","0.004","19.74","0.002","90","","102.345","0.012","90","","1750.9","1.2","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8CB","4'-octyl-4-cyanobiphenyl","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","OA1062","Kuribayashi, Miki; Hori, Kayako","4-Cyano-4'-octylbiphenyl","Acta Crystallographica Section C","1998","54","10","1475","1477","10.1107/S0108270198005952","","","1.54184","CuKα","","0.057","0.049","","0.153","0.144","","","","1.041","1.058","1.058","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007752","19.735","0.003","4.6","0.003","15.654","0.002","90","","104.22","0.02","90","","1377.5","0.9","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C64 H56 Br4 N4 O8 -","4","1","OS1023","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid","3-[(2-Bromo-4-methylphenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section C","1998","54","10","1464","1466","10.1107/S0108270198008002","","","0.71073","MoKα","","0.124","0.041","","0.098","0.077","","","","0.989","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007753","17.232","0.001","7.294","0.001","23.241","0.002","90","","95.27","0.01","90","","2908.8","0.5","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,R)-trans-1,2-Bis(2-hydroxyphenyl)cyclopentane,bis(R)-O-methylmandelic acid ester","","- C35 H34 O6 -","- C35 H34 O6 -","- C140 H136 O24 -","4","2","QA0050","Lynch, Vincent M.; Apodaca, Richard; Whitesell, James K.; Chou, Ming I.","<i>trans</i>-(<i>R</i>,<i>R</i>)-2,2'-(Cyclopenta-1,2-diyl)diphenyl Bis[(<i>R</i>)-<i>O</i>-methylmandelate]","Acta Crystallographica Section C","1998","54","10","IUC9800052","","10.1107/S0108270198099296","","","0.71073","MoKα","","0.1099","0.052","","0.105","0.0856","","","","1.03","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007754","21.262","0.006","3.837","0.004","13.972","0.004","90","","108.02","0.02","90","","1084","1.2","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-pyridinecarboxylic acid","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","QA0051","Hamazaki, Hiroshi; Hosomi, Hiroyuki; Takeda, Sadamu; Kataoka, Hiroshi; Ohba, Shigeru","2-Pyridinecarboxylic Acid","Acta Crystallographica Section C","1998","54","10","IUC9800049","","10.1107/S0108270198099314","","","0.71073","MoKα","","","0.041","","","","0.041","","","","","","1.2","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007755","12.669","0.002","14.102","0.005","11.193","0.006","90","","99.21","0.03","90","","1973.9","1.3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-tert-Butylphenyl)-3-(methylthio)fluorene","","- C24 H24 S -","- C24 H24 S -","- C96 H96 S4 -","4","1","QA0052","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.","<i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-3-(methylthio)fluorene: a Major Rearrangement Product from the Facile Uncatalyzed Decomposition of <i>ap</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-(methylthio)fluorene","Acta Crystallographica Section C","1998","54","10","IUC9800051","","10.1107/S0108270198099302","","","0.71069","MoKα","","0.1062","0.0415","","","","0.1431","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007756","19.048","0.0009","19.048","0.0009","9.053","0.0004","90","","90","","120","","2844.6","0.2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","catena-tris(μ-Glycine)-scandium(III) tri-perchlorate","","- C6 H15 Cl3 N3 O18 Sc -","- C6 H15 Cl3 N3 O18 Sc -","- C36 H90 Cl18 N18 O108 Sc6 -","6","0.333333","QA0053","Wang, Zhe-Ming; Lu, Zhi; Liao, Chun-Sheng; Yan, Chun-Hua","Tris(glycine)scandium(III) Triperchlorate: a Space-Group Correction","Acta Crystallographica Section C","1998","54","10","IUC9800050","","10.1107/S0108270198099338","","","0.71073","MoKα","","0.0362","0.0283","","","","0.0772","","","","","","1.083","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007757","17.186","0.003","18.936","0.004","17.406","0.004","90","","90","","90","","5665","2","298","","298","","","","","","","","","6","C m c a","-C 2ac 2","64","","Ethanaminium, N,N,N-triethyl-, tetra-.mu.-carbonyleicosacarbonyldithalla- hexaferrate (2-) (2Fe-Fe) (8Fe-Tl) (2:1)","","- C40 H40 Fe6 N2 O24 Tl2 -","- C40 H40 Fe6 N2 O24 Tl2 -","- C160 H160 Fe24 N8 O96 Tl8 -","4","","QA0054","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","Bis(tetraethylammonium) tetra-μ-carbonyl-icosacarbonylhexairondithallate(2 <i>Fe</i>—<i>Fe</i>)(8 <i>Fe</i>—<i>Tl</i>)(2‒)","Acta Crystallographica Section C","1998","54","10","IUC9800053","","10.1107/S0108270198099326","","","0.71073","MoKα","","0.1755","0.0492","","0.169","0.1163","","","","1.054","1.099","1.099","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007758","8.34","0.002","11.6","0.002","20.898","0.003","90","","101.27","0.03","90","","1982.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cu2 N14 O2 S4 -","- C32 H34 Cu2 N14 O2 S4 -","- C64 H68 Cu4 N28 O4 S8 -","2","0.5","SK1117","Chun-Ying, Duan; Xiao-Zeng, You; T.C.W.Mak","Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(isothiocyanato-<i>N</i>)copper(II)] Bis(dimethylformamide) Solvate","Acta Crystallographica Section C","1998","54","10","1395","1397","10.1107/S0108270198004843","","","0.71073","MoKα","","0.0535","0.0396","","0.1207","0.1033","","","","1.118","1.176","1.176","","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2007759","22.457","0.002","13.346","0.001","12.896","0.001","90","","113.66","0.01","90","","3540.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[di-[(2-pyridine)ketone thiosemicarbazone]copper(II) acetate ] dimethanol","","- C30 H34 Cu2 N10 O6 S2 -","- C30 H34 Cu2 N10 O6 S2 -","- C120 H136 Cu8 N40 O24 S8 -","4","0.5","SK1118","Chun-Ying Duan; Xiao-Zeng You; T.C.W. Mak","Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(acetato-<i>O</i>)copper(II)] Dimethanol Solvate","Acta Crystallographica Section C","1998","54","10","1397","1399","10.1107/S0108270198004764","","","0.71073","MoKα","","0.107","0.0637","","0.2548","0.1682","","","","1.024","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007760","19.464","0.002","10.087","0.002","13.993","0.002","90","","105.993","0.009","90","","2641","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis{dimethyl[2,6-diacetylpyridinebis(2-furanecarboxylhydrazone)]tin(IV)} trans[dimethyltetraclorostannate(IV)]","","- C44 H50 Cl4 N10 O8 Sn3 -","- C44 H50 Cl4 N10 O8 Sn3 -","- C88 H100 Cl8 N20 O16 Sn6 -","2","0.5","SK1125","Francisco, Regina H. P.; Moreno, Patricia C.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Mangas, M. Beatriz P.; Abras, Anuar","Bis{[2,6-diacetylpyridine bis(2-furoylhydrazone)(1‒)]dimethyltin(IV)} <i>trans</i>-Tetrachlorodi-methylstannate(IV)","Acta Crystallographica Section C","1998","54","10","1444","1446","10.1107/S0108270198005940","","","0.71073","MoKα","","0.106","0.038","","0.092","0.068","","","","1.076","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007761","10.153","0.002","13.824","0.003","11.673","0.003","90","","110.14","0.02","90","","1538.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylguanidinium trifluoroacetate","","- C15 H14 F3 N3 O2 -","- C15 H14 F3 N3 O2 -","- C60 H56 F12 N12 O8 -","4","1","SK1182","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","1,3-Diphenylguanidinium Trifluoroacetate","Acta Crystallographica Section C","1998","54","10","1484","1486","10.1107/S0108270198005095","","","0.71073","MoKα","","0.103","0.039","","","","0.123","","","","","","0.987","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007762","8.582","0.005","9.609","0.005","31.213","0.005","90","0.005","90","0.005","90","0.005","2574","2","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-phenyl-cis-4,6-dimethyl-1,3-diselenane","","- C12 H16 Se2 -","- C12 H16 Se2 -","- C96 H128 Se16 -","8","1","SK1184","Baudoux, Guy; Norberg, Bernadette; Wouters, Johan; Defrère, Laurent; Krief, Alain; Evrard, Guy","<i>cis</i>-4,6-Dimethyl-2-phenyl-1,3-diselenane","Acta Crystallographica Section C","1998","54","10","1505","1507","10.1107/S0108270198004235","","","1.54178","CuKα","","0.0415","0.0371","","","","0.1025","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007763","9.571","0.004","12.773","0.006","13.486","0.006","66.39","0.03","74.97","0.03","80.84","0.03","1456.1","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","bis(tetraphenylphosphonium) μ-oxalato-O^1^,O^2^:O^1^',O^2^' -bis[aqua(oxalato-O^1^,O^2^)oxovanadium(IV)] octahydrate","","- C54 H60 O24 P2 V2 -","- C54 H60 O24 P2 V2 -","- C54 H60 O24 P2 V2 -","1","0.5","SK1188","Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio","A Dinuclear Vanadyl‒Oxalate Compound","Acta Crystallographica Section C","1998","54","10","1435","1438","10.1107/S0108270198006520","","","0.71073","MoKα","","0.101","0.044","","","","0.121","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007764","29.1351","0.0009","10.4189","0.0002","20.0512","0.0006","90","","116.766","0.001","90","","5434.5","0.3","130","1","130","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,1-Tris(4-hydroxyphenyl)ethane-4,4'-bipyridyl (2/3)","","- C70 H60 N6 O6 -","- C70 H60 N6 O6 -","- C280 H240 N24 O24 -","4","0.5","SK1190","Bényei, Attila C.; Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.; Meehan, Paul R.","Tenfold Interpenetration of Giant Hexagonal <i>R</i>^12^~12~(126) Nets in the Hydrogen-Bonded Structure of 1,1,1-Tris(4-hydroxyphenyl)ethane‒4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1998","54","10","1515","1519","10.1107/S0108270198004624","","","0.7107","MolybdenumKα","","0.0646","0.0408","","","","0.1079","","","","","","0.938","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007765","6.5478","0.0002","9.9048","0.0003","10.8386","0.0004","90","","95.791","0.004","90","","699.35","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorodimethyltin.4,4'-bipyridine","","- C12 H14 Cl2 N2 Sn -","- C12 H14 Cl2 N2 Sn -","- C24 H28 Cl4 N4 Sn2 -","2","0.5","SK1191","Ng, Seik Weng","<i>catena</i>-Poly[(dichlorodimethyltin)-μ-(4,4'-bipyridine-<i>N</i>:<i>N</i>')]","Acta Crystallographica Section C","1998","54","10","1393","1395","10.1107/S0108270198005484","","","0.71073","MoKα","","0.029","0.023","","","","0.061","","","","","","1.019","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007766","8.1259","0.0006","32.017","0.002","13.011","0.001","90","","103.065","0.007","90","","3297.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine]","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C152 H124 N24 O12 Sn4 -","2","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.073","0.0397","","","","0.0848","","","","","","0.99","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007767","9.2219","0.0008","12.567","0.002","15.616","0.002","78.73","0.01","73.681","0.009","80.395","0.009","1691.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine","","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","- C76 H62 N12 O6 Sn2 -","1","0.5","SK1192","Ng, Seik Weng","Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section C","1998","54","10","1386","1389","10.1107/S0108270198004776","","","0.71073","MoKα","","0.0605","0.0412","","","","0.0945","","","","","","1.016","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007768","8.9189","0.0011","18.2124","0.0014","16.813","0.002","90","","103.134","0.011","90","","2659.6","0.5","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1,4-Dimethylpyridinium [1,3-dithiole-2-thione-4,5-dithiolato)diphenyl(thiocyanato-N)stannate(1-)]","","- C23 H20 N2 S6 Sn -","- C23 H20 N2 S6 Sn -","- C92 H80 N8 S24 Sn4 -","4","1","SK1198","Khan, Abdullah; Low, John N.; Wardell, James L.; Ferguson, George","1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1399","1401","10.1107/S0108270198005496","","","0.7107","MoKα","","0.07","0.038","","","","0.096","","","","","","1.004","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007769","11.0167","0.001","13.6197","0.0008","15.4733","0.0011","90","","90","","90","","2321.7","0.3","294","1","294","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","Tetraethylammonium [bromo(1,3-dithiole-2-one-4,5-dithiolato) diethylstannate(1-)]","","- C15 H30 Br N O S4 Sn -","- C15 H26.34 Br N O S4 Sn -","- C60 H105.36 Br4 N4 O4 S16 Sn4 -","4","0.5","SK1200","Chohan, Zahid H.; Wardell, James L.; Low, John N.; Meehan, Paul R.; Ferguson, George","Tetraethylammonium Bromo(1,3-dithiol-2-one-4,5-dithiolato)diethylstannate(1‒)","Acta Crystallographica Section C","1998","54","10","1401","1403","10.1107/S0108270198006027","","","0.7107","MoKα","","0.11","0.048","","","","0.153","","","","","","1.021","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007770","13.378","0.0006","20.6464","0.0006","6.251","0.0004","90","","90","","90","","1726.57","0.14","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-chloro-2-methoxy-N-[(2S,4S)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl ] benzamide","","- C15 H22 Cl N3 O3 -","- C15 H22 Cl N3 O3 -","- C60 H88 Cl4 N12 O12 -","4","1","SX1037","Tsutomu Adachi; Jun-Ichi Mizoguchi; Yasuo Hayashi; Yuko Yamashoji; Nobuko Kanehisa; Yasushi Kai; Yoshihisa Inoue","New Gastroprokinetic Agent TKS159: 4-Amino-5-chloro-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl]-2-methoxybenzamide","Acta Crystallographica Section C","1998","54","10","1527","1529","10.1107/S0108270198003722","","","1.54178","CuKα","","","0.046","","","0.0647","","","","","1.895","1.895","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007771","12.672","0.003","15.43","0.003","14.731","0.003","90","","114.77","0.03","90","","2615.3","1.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1H-1,3-oxazino[3,2-d][1,5]benzothiazepin-1-one","6-(4-chlorophenyl)-3-methyl-2,4a-diphenyl-4a,5,6,12-tetrahydro-1H- 1,3-oxazino[3,2-d][1,5]benzothiazepin-1-one","","- C31 H24 Cl N O2 S -","- C31 H24 Cl N O2 S -","- C124 H96 Cl4 N4 O8 S4 -","4","1","TA1209","Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.","6-(4-Chlorophenyl)-3-methyl-2,4a-diphenyl-5,6-dihydro-1<i>H</i>,4a<i>H</i>-1,3-oxazino[2,3-<i>d</i>][1,5]benzothiazepin-1-one","Acta Crystallographica Section C","1998","54","10","1525","1527","10.1107/S0108270198005630","","","0.71073","MoKα","","0.135","0.055","","0.087","0.069","","","","0.973","1.48","1.48","","","","","has coordinates","198487","2020-10-21","18:00:00",""
"2007772","4.8635","0.0007","13.0125","0.0018","12.658","0.0018","90","","97.832","0.003","90","","793.61","0.19","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R)-[Methyl 2,3-di-O-methyl-4,6-O-(phenylmethylene)α-D-glucopyranoside]","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.146","0.072","","","","0.202","","","","","","0.945","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007773","8.3014","0.0002","13.8503","0.0002","17.7567","0.0005","90","","90","","90","","2041.61","0.08","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[(η^6^-phenyl)methylene]- α-D-glucopyranoside]chromium(0)","","- C19 H22 Cr O9 -","- C19 H22 Cr O9 -","- C76 H88 Cr4 O36 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.129","0.067","","","0.103","0.125","","","","","","1.065","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007774","7.9722","0.0002","8.5924","0.0002","16.0785","0.0004","90","","92.72","0.001","90","","1100.14","0.05","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(methylthio)phenyl]methylene]-α-D-glucopyranoside]chromium(0)","","- C20 H24 Cr O9 S -","- C20 H24 Cr O9 S -","- C40 H48 Cr2 O18 S2 -","2","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.04","0.034","","","0.092","0.103","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007775","22.3782","0.0001","11.4738","0.0001","13.8548","0.0002","90","","108.007","0.001","90","","3383.15","0.06","203","2","203","2","","","","","","","","6","C 1 2 1","C 2y","5","","(1'R,2'S')-Tricarbonyl[(R)-[methyl 2,3-O-methyl-4,6-O-[[1',2',3',4',5',6'- η]-2'-[(diphenylphosphino)phenyl]methylene]-α-D-glucopyranoside]]- chromium(0) dichloromethane solvate","","- C32 H33 Cl2 Cr O9 P -","- C32 H33 Cl2 Cr O9 P -","- C128 H132 Cl8 Cr4 O36 P4 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.035","0.03","","","0.077","0.08","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007776","8.482","0.0002","9.0429","0.0003","28.6178","0.0008","90","","90","","90","","2195.04","0.11","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5,'6'-η]-4'- (methoxyphenyl)methylene]-α-D-glucopyranoside]]chromium(0)","","- C20 H24 Cr O10 -","- C20 H24 Cr O10 -","- C80 H96 Cr4 O40 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.028","0.026","","","0.071","0.072","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007777","5.2442","0.0005","8.938","0.002","9.731","0.002","75.01","0.02","77.72","0.02","73.06","0.01","416.8","0.14","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H5 N O8 P2 Zn2 -","- H N O8 P2 Zn2 -","- H2 N2 O16 P4 Zn4 -","2","1","TA1214","Bircsak, Zsolt; Harrison, William T. A.","(NH~4~)Zn~2~(PO~4~)(HPO~4~)","Acta Crystallographica Section C","1998","54","10","1383","1385","10.1107/S0108270198005988","","","0.71073","MoKα","","","0.033","","","0.031","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007778","8.759","0.0005","10.554","0.0012","10.6064","0.0014","114.116","0.014","96.957","0.007","97.535","0.007","870.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C44 H34 Cl2 N4 -","2","1","BK1362","Song, Hyun; Shin, Hyun-So","The Antifungal Drug Clotrimazole","Acta Crystallographica Section C","1998","54","11","1675","1677","10.1107/S0108270198006386","","","0.71069","MoKα","","0.0521","0.037","","0.0923","0.086","","","","1.01","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007779","7.4173","0.0011","14.326","0.002","13.077","0.003","90","","90.14","0.013","90","","1389.6","0.4","153","2","153.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl N2 O3 Re -","- C13 H10 Cl N2 O3 Re0.5 -","- C52 H40 Cl4 N8 O12 Re2 -","4","0.5","BK1384","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","<i>fac</i>-Tricarbonylchlorobis(pyridine-<i>N</i>)rhenium and <i>fac</i>-Tricarbonylchlorobis(4,4'-bipyridine-<i>N</i>)rhenium","Acta Crystallographica Section C","1998","54","11","1596","1600","10.1107/S0108270198006398","","","0.7107","MoKα","","0.0221","0.015","","0.02","0.019","","","","1.888","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007780","7.126","0.002","14.658","0.003","21.517","0.006","90","","98.63","0.02","90","","2222.1","1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cl N4 O3 Re -","- C23 H16 Cl N4 O3 Re -","- C92 H64 Cl4 N16 O12 Re4 -","4","1","BK1384","Suzanne Bélanger; Joseph T. Hupp; Charlotte L. Stern","<i>fac</i>-Tricarbonylchlorobis(pyridine-<i>N</i>)rhenium and <i>fac</i>-Tricarbonylchlorobis(4,4'-bipyridine-<i>N</i>)rhenium","Acta Crystallographica Section C","1998","54","11","1596","1600","10.1107/S0108270198006398","","","0.7107","MoKα","","","0.033","","","0.028","","","","","1.49","1.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007781","5.0309","0.0006","7.7455","0.0006","16.276","0.001","90","","90","","90","","634.22","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4R)-(-)-2-thioxothiazolidine-4-carboxylic acid","","","- C4 H5 N O2 S2 -","- C4 H5 N O2 S2 -","- C16 H20 N4 O8 S8 -","4","1","BK1393","Dobson, Allison J.; Gerkin, Roger E.","(4<i>R</i>)-({-})-2-Thioxothiazolidine-4-carboxylic Acid (Raphanusamic Acid)","Acta Crystallographica Section C","1998","54","11","1634","1637","10.1107/S0108270198006416","","","0.71073","MoKα","","","0.025","","","0.033","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007782","30.229","0.015","13.009","0.003","14.157","0.007","90","","102.42","0.04","90","","5437","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-(2,2-Bipyridyl)(carbonyl)(carboxylato) (η^2^-2,2':6',2''-terpyridyl)ruthenium(II) Hexafluorophosphate","","- C27 H20 F6 N5 O3 P Ru -","- C27 H20 F5.96 N5 O3 P Ru -","- C216 H160 F47.68 N40 O24 P8 Ru8 -","8","1","BK1398","Gibson, Dorothy H.; Sleadd, Bradley A.; Mashuta, Mark S.; Richardson, John F.","<i>cis</i>-(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')carbonyl(methanoato-<i>C</i>)(η^2^-2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>')ruthenium(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","11","1584","1586","10.1107/S0108270198006428","","","0.7107","MoKα","","0.052","0.04","","0.045","0.044","","","","3.28","2.76","2.76","","","","","has coordinates","198851","2020-10-21","18:00:00",""
"2007783","20.674","0.003","20.674","0.003","5.804","0.001","90","","90","","90","","2480.7","0.7","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","Cu(prop)~2~(mpc)~2~.1/4H~2~O","","","- C20 H26.5 Cu N4 O8.25 -","- C20 H26 Cu N4 O8.24 -","- C80 H104 Cu4 N16 O32.96 -","4","0.5","BM1193","Koman, Marian; Melník, Milan; Glowiak, Tadeus","Bis(methyl 3-pyridyl-κ<i>N</i>^1^-carbamate)bis(propionato-κ<i>O</i>)copper(II)‒Water (4/1)","Acta Crystallographica Section C","1998","54","11","1604","1605","10.1107/S0108270198006313","","","1.5418","CuKα","","0.094","0.043","","0.165","0.117","","","","0.789","0.921","0.921","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007784","14.768","0.003","7.057","0.001","17.999","0.004","90","","112.81","0.03","90","","1729.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","spiro[fluorene-chromenes]","spiro[fluorene-9,2'-[2H]naphto[1,2-b]pyrane","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","BM1220","Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Pozzo, Jean Luc; Lokshin, Vladimir; Pèpe, Gérard","Photochromic Properties of Spiro[fluorene-chromenes]","Acta Crystallographica Section C","1998","54","11","1720","1722","10.1107/S0108270198004727","","","1.54178","CuKα","","0.0789","0.0383","","0.1438","0.1049","","","","1.18","1.122","1.122","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007785","9.876","0.003","11.156","0.004","11.281","0.004","64.72","0.02","65.51","0.02","80.78","0.02","1022.5","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Spiro[fluorene-chromenes]","spiro[7H-benzofurano[3,2-g]-chromene-7,9'-fluorene]","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","1","BM1220","Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Pozzo, Jean Luc; Lokshin, Vladimir; Pèpe, Gérard","Photochromic Properties of Spiro[fluorene-chromenes]","Acta Crystallographica Section C","1998","54","11","1720","1722","10.1107/S0108270198004727","","","0.71073","MoKα","","0.047","0.0441","","0.0911","0.0903","","","","1.005","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007786","8.769","0.0001","9.5801","0.0003","11.0747","0.0003","80.513","0.001","72.546","0.001","71.89","0.002","840.93","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(quinoline-N)zinc(II)","","- C18 H14 Cl2 N2 Zn -","- C18 H14 Cl2 N2 Zn -","- C36 H28 Cl4 N4 Zn2 -","2","1","BM1252","Yong Cui; Deliang Long; Wendan Chen; Jinshun Huang","Dichlorobis(quinoline-<i>N</i>)zinc(II)","Acta Crystallographica Section C","1998","54","11","1605","1607","10.1107/S0108270198007240","","","0.71073","MoKα","","0.056","0.049","","0.131","0.126","","","","1.02","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007787","9.466","0.003","9.564","0.003","14.842","0.006","77.46","0.03","71.93","0.03","73.94","0.03","1214.8","0.8","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","1,4,7,1O,13,16-Hexaoxacyclooctadecane‒ Dimethyl Sulfoxide‒bis(4-fluorophenylsulfonyl)amine (1/2/2)","","- C40 H54 F4 N2 O16 S6 -","- C40 H54 F4 N2 O16 S6 -","- C40 H54 F4 N2 O16 S6 -","1","0.5","BM1256","Wijaya, Karna; Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. CVI. 1,4,7,10,13,16-Hexaoxacyclooctadecane‒Dimethyl Sulfoxide‒Bis(4-fluorophenylsulfonyl)amine (1/2/2)","Acta Crystallographica Section C","1998","54","11","1707","1710","10.1107/S0108270198007203","","","0.71073","MoKα","","0.034","0.031","","0.084","0.081","","","","1.061","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007788","10.935","0.001","15.064","0.001","17.577","0.001","84.467","0.006","80.458","0.007","86.175","0.007","2838.2","0.4","150","","150","","","","","","","","","3","P -1","-P 1","2","triphenylphosphine","triphenylphosphine","","- C18 H15 P -","- C18 H15 P -","- C144 H120 P8 -","8","4","BM1260","Kooijman, Huub; Spek, Anthony L.; Bommel, Kjeld J.C. van; Verboom, Willem; Reinhoudt, David N.","A Triclinic Modification of Triphenylphosphine","Acta Crystallographica Section C","1998","54","11","1695","1698","10.1107/S0108270198009305","","","0.71073","MoKα","","0.101","0.0532","","","","0.1346","","","","","","1.017","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007789","11.297","0.001","6.949","0.001","13.732","0.002","90","","91.95","0.01","90","","1077.4","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","BS1036","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Punte, Graciela; Hechevarría, Gustavo; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz","5-Oxo-4-phenyl-1,2,3,4,5,7-hexahydrofuro[3,4-<i>b</i>]-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1642","1644","10.1107/S0108270197017988","","","0.71069","MoKα","","0.259","0.054","","0.182","0.088","","","","1.065","1.162","1.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007790","8.983","0.002","21.125","0.004","13.196","0.003","90","","90","","90","","2504.2","0.9","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","BS1040","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Gómez González, Ariel; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Mascarenhas, Yvonne","5-Methoxycarbonyl-6-methyl-4-phenyl-3,4-dihydro-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1644","1645","10.1107/S010827019701799X","","","0.71069","MoKα","","0.168","0.0499","","0.1662","0.0996","","","","1.082","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007791","10.901","0.002","10.901","0.002","17.403","0.002","90","","90","","90","","2068","0.6","296.2","","296.2","","","","","","","","","6","I 4/m","-I 4","87","","hexamethylthiobenzenecopper(I) hexafluorophosphate","","- C12 H18 Cu F6 P S6 -","- C12 H18 Cu F6 P S6 -","- C48 H72 Cu4 F24 P4 S24 -","4","0.25","CF1226","Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Maekawa, Masahiko; Morimoto, Hiroshi","A Linear-Chain Copper(I) Coordination Polymer with Hexakis(methylthio)benzene","Acta Crystallographica Section C","1998","54","11","1566","1569","10.1107/S010827019800643X","","","0.7107","MoKα","","","0.031","","","0.04","","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007792","9.7987","0.0008","19.1424","0.0014","13.3366","0.0011","90","","98.816","0.007","90","","2472","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dichloro-6-exo-9-endo-bis(dimethylphenylphosphino)- arachno-decaborane(10)","","- C16 H32 B10 Cl2 P2 -","- C16 H32 B10 Cl2 P2 -","- C64 H128 B40 Cl8 P8 -","4","1","CF1228","Dörfler, Udo; McGrath, Thomas D.; Cooke, Paul A.; Kennedy, John D.; Thornton-Pett, Mark","2,4-Cl~2~-6,9-<i>exo</i>,<i>endo</i>-(PMe~2~Ph)~2~-<i>arachno</i>-B~10~H~10~","Acta Crystallographica Section C","1998","54","11","1703","1705","10.1107/S0108270198005666","","","1.54186","CuKα","","0.039","0.034","","","","0.09","","","","","","1.054","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007793","7.3161","0.0005","10.9267","0.0014","11.2045","0.001","83.479","0.009","76.746","0.008","73.386","0.007","834.33","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis acetato-2,2'-bipyridylamine copper(II). Dihydrate","","- C14 H19 Cu N3 O6 -","- C14 H19 Cu N3 O6 -","- C28 H38 Cu2 N6 O12 -","2","1","CF1235","Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun; Kandasamy Chinnakali","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridyl-κ<i>N</i>-amine)copper(II) Dihydrate","Acta Crystallographica Section C","1998","54","11","1586","1588","10.1107/S0108270198006441","","","0.71073","MoKα","","0.032","0.03","","0.085","0.084","","","","1.071","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007794","5.161","0.001","17.694","0.004","13.155","0.003","90","","96.64","0.03","90","","1193.2","0.5","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(1,4-dioxano [5,6-b]) acridinone","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","CF1238","Karolak-Wojciechowska, Janina; Mrozek, Agnieszka; Trzeźwińska, Barbara; Morel, Sandrine; Galy, Jean-Pierre; Barbe, Jacques","2,3-Dihydrodioxin[2,3-<i>b</i>]acridin-11(6<i>H</i>)-one","Acta Crystallographica Section C","1998","54","11","1689","1690","10.1107/S0108270198006738","","","1.54178","CuKα","","0.0419","0.0378","","0.1158","0.1123","","","","1.11","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007795","13.957","0.003","13.877","0.003","21.831","0.004","90","","102.9","0.03","90","","4121.5","1.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(tripenylphosphino)-2,2-dicyano-1,1-ethylenedithiolate palladium(II)","","- C44 H36 N4 P2 Pd S2 -","- C44 H30 N4 P2 Pd S2 -","- C176 H120 N16 P8 Pd4 S8 -","4","1","DA1006","Bao, Mutai; Cao, Rong; Su, Weiping; Hong, Maochun","(1,1-Dimercaptoethene-2,2-dicarbonitrilato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)palladium(II) Diacetonitrile Solvate","Acta Crystallographica Section C","1998","54","11","1622","1624","10.1107/S0108270198006465","","","0.71073","MoKα","","0.051","0.037","","0.092","0.07","","","","1.162","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007796","10.8912","0.0006","7.4907","0.0004","11.2879","0.0006","90","","111.214","0.001","90","","858.49","0.08","203","2","203","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C38 H56 O10 -","2","1","DA1020","Cambie, Richard C.; Mitchell, Lorna H.; Rickard, Clifton E. F.; Rutledge, P. Stewart","12,12-Ethylenedioxy-8α,9α-epoxypodocarpan-19-oic Acid","Acta Crystallographica Section C","1998","54","11","1672","1673","10.1107/S0108270198008269","","","0.71073","MoKα","","0.051","0.048","","","0.125","0.126","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007797","7.855","0.002","8.669","0.001","11.115","0.002","70.38","0.01","69.39","0.01","73.97","0.01","656.5","0.2","293","2","300","","","","","","","","","4","P -1","-P 1","2","Indole","Ethyl 5-Ethoxy-3-Methyl-2-Indolecarboxylate","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","DE1073","Chandrakantha, T. N.; Puttaraja; Kokila, M. K.; Shivaprakash, N. C.","Ethyl 5-Ethoxy-3-methyl-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section C","1998","54","11","1685","1687","10.1107/S010827019800568X","","","1.5418","CuKα","","0.055","0.045","","0.16","0.131","","","","1.084","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007798","8.049","0.002","12.756","0.002","6.209","0.002","98.82","0.02","100.94","0.03","93.99","0.02","615.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(N, N-dimethylaminomethylene)-2-(2-nitrophenyl)-2-oxazolin-5-one","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","DE1078","Vijayalakshmi, L; Parthasarathi, V; Perumal, P.T; Majo, V.J","4-(Dimethylaminomethylene)-2-(2-nitrophenyl)oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1998","54","11","1683","1685","10.1107/S010827019800403X","","","0.70173","MoKα","","0.1031","0.041","","0.1341","0.1151","","","","1.06","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007799","15.1675","0.0004","11.964","0.0003","24.1413","0.0004","90","","103.156","0.001","90","","4265.8","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mo2 N O8 S2 -","- C38 H51 Mo2 N O8 S2 -","- C152 H204 Mo8 N4 O32 S8 -","4","1","DE1087","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A New Dinuclear Molybdenum Compound, (Bu~4~ N)[Mo~2~(CO)~6~(SPh)~2~(CH~2~CCH~3~COO)]","Acta Crystallographica Section C","1998","54","11","1580","1582","10.1107/S010827019800571X","","","0.71073","MoKα","","0.078","0.048","","0.098","0.086","","","","1.09","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007800","9.049","0.003","12.898","0.004","9.391","0.002","90","","115.65","0.02","90","","988","0.5","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-ethyl-1-methyl-imidazolium tetrachloropalladate(II)","","- C12 H22 Cl4 N4 Pd -","- C12 H22 Cl4 N4 Pd -","- C24 H44 Cl8 N8 Pd2 -","2","0.5","FG1431","Ortwerth, Michael F.; Wyzlic, Michael J.; Baughman, Russell G.","Bis(1-ethyl-3-methylimidazolium) Tetrachloropalladate(II)","Acta Crystallographica Section C","1998","54","11","1594","1596","10.1107/S0108270198006829","","","0.71073","MoKα","","0.042","0.03","","0.078","0.071","","","","1.081","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007801","12.435","0.003","7.517","0.003","28.79","0.004","90","","93.344","0.017","90","","2686.5","1.3","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Oxa-4-thia-spiro[4.5]decane(s)","","- C13 H22 O2 S -","- C13 H22 O2 S -","- C104 H176 O16 S8 -","8","2","FG1452","Parvez, Masood; Yadav, Veejendra K.; Jeyaraj, Duraiswamy A.","2-(7-Ethylidene-6-methyl-1-oxa-4-thiaspiro[4.5]dec-7-yl)ethanol","Acta Crystallographica Section C","1998","54","11","1679","1681","10.1107/S010827019800780X","","","0.71069","MoKα","","0.2293","0.0564","","","","0.1866","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007802","12.235","0.003","9.645","0.002","18.596","0.006","90","","105.97","0.02","90","","2109.8","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3,3'-dimethyl-2,2'-biquinoline)bromotricarbonylrhenium(I)","","- C23 H16 Br N2 O3 Re -","- C23 H16 Br N2 O3 Re -","- C92 H64 Br4 N8 O12 Re4 -","4","1","FG1459","Juan Guerrero; Sergio A. Moya; María Teresa Garland; Ricardo F. Baggio","Bromotricarbonyl(3,3'-dimethyl-2,2'-biquinoline-<i>N</i>,<i>N</i>')rhenium(I)","Acta Crystallographica Section C","1998","54","11","1592","1594","10.1107/S010827019800691X","","","0.71073","MoKα","","0.0585","0.0268","","","","0.0549","","","","","","0.926","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007803","6.2457","0.0011","11.9757","0.0009","17.1228","0.0014","90","","90.081","0.002","90","","1280.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Bis(methoxyacetato)nitratoaquoneodymium(III)","","- C6 H12 N Nd O10 -","- C6 H12 N Nd O10 -","- C24 H48 N4 Nd4 O40 -","4","1","FG1460","Mague, Joel T.; Apblett, Allen W.; Walker, Edwin H.","Metal Alkoxycarboxylate Complexes. I. Poly[aquabis(methoxyacetato)(nitrato)neodymium(III)]","Acta Crystallographica Section C","1998","54","11","1588","1590","10.1107/S0108270198006921","","","0.71073","MoKα","","0.048","0.033","","0.094","","0.088","","","1.167","","","1.222","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007804","13.7463","0.0008","8.6401","0.0004","11.9943","0.0012","90","","90","","90","","1424.56","0.18","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","ferrocenium tetrachloroferrate","","- C10 H10 Cl4 Fe2 -","- C10 H10 Cl4 Fe2 -","- C40 H40 Cl16 Fe8 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.038","0.035","","0.084","0.082","","","","1.179","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007805","13.788","0.006","8.643","0.002","12.009","0.006","90","","90","","90","","1431.1","1","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","ferrocenium tetrochloroaluminate","","- C10 H10 Al Cl4 Fe -","- C10 H10 Al Cl4 Fe -","- C40 H40 Al4 Cl16 Fe4 -","4","0.5","FG1462","Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel","Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate","Acta Crystallographica Section C","1998","54","11","1575","1578","10.1107/S0108270198007215","","","0.71073","MoKα","","0.073","0.059","","0.144","0.134","","","","1.146","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007806","13.342","0.002","16.839","0.001","7.052","0.002","90","","90","","90","","1584.3","0.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-tazettine","(+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[ 6,7][2]benzopyrano[3,4-c]indol-6a-ol","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.052","0.039","","","","0.109","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007807","7.297","0.005","11.083","0.002","9.531","0.003","90","","104.3","0.03","90","","746.9","0.6","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-O-demethylcriwelline","(+)-(3R,4aS,6aS,13bS)-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[6,7][2]ben zopyrano[3,4-c]indole-3,6a-diol","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.051","0.036","","","","0.095","","","","","","1.036","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007808","8.176","0.002","17.666","0.002","11.0743","0.0009","90","","95.054","0.009","90","","1593.3","0.4","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","(+)-3-epimacronine","(+)-(3S,4aS,6aR,13bS)-3-methoxy-5-methyl-3,4,4a,5,6,6a-hexahydro-[1,3]dioxolo[6, 7][2]benzopyrano[3,4-c]indol-8-one","","- C18 H19.132 N O5.066 -","- C18 H19.132 N O5.066 -","- C72 H76.528 N4 O20.264 -","4","2","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.044","0.035","","","","0.09","","","","","","1.031","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2007809","9.182","0.002","10.917","0.002","21.955","0.004","90","","90","","90","","2200.8","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(+/-)-cis-10-Carboxymethyl-2-decalone","(+/-)-cis-4a-carboxymethyloctahydro-2(1H)-napthalenone","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","FG1471","Zewge, Daniel; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-10-Carboxymethyl-2-decalone: Catemeric Hydrogen Bonding in an ε-Keto Acid","Acta Crystallographica Section C","1998","54","11","1651","1653","10.1107/S0108270198007495","","","0.71073","MoKα","","0.12","0.054","","0.135","0.108","","","","1.001","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007810","7.6013","0.0006","11.771","0.001","14.896","0.002","90","","90","","90","","1332.8","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C60 H72 O8 S4 -","4","1","FG1476","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. III. (1<i>S</i>,5<i>R</i>)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]hept-2-ene","Acta Crystallographica Section C","1998","54","11","1673","1675","10.1107/S0108270198007811","","","0.71073","MoKα","","0.0664","0.0339","","0.0892","","0.0796","","","1.077","","","1.1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007811","12.112","0.002","13.46","0.002","7.946","0.002","97.72","0.02","102.21","0.02","102.98","0.01","1211.1","0.4","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","3-(dimethylamino)-5,6,7,8,9,10-hexahydro-12,13-dimethoxy-4H-spiro[benzo-1-thia-2 ,5-diazacyclododecene-4,1'-cyclobutan]-6-one 1,1-dioxide dichloromethane solvate (1/1)","","- C21 H31 Cl2 N3 O5 S -","- C21 H31 Cl2 N3 O5 S -","- C42 H62 Cl4 N6 O10 S2 -","2","1","FG1482","Linden, Anthony; Mihova, Tonya R.; Heimgartner, Heinz","3-(Dimethylamino)-5,6,7,8,9,10-hexahydro-12,13-dimethoxy-4<i>H</i>-spiro[benzo-1-thia-2,5-diazacyclododecene-4,1'-cyclobutan]-6-one 1,1-Dioxide Dichloromethane Solvate (1/1) at 173K","Acta Crystallographica Section C","1998","54","11","1659","1662","10.1107/S0108270198008476","","","0.71069","MoKα","","0.1023","0.0565","","","","0.1608","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007812","7.7771","0.0012","13.148","0.002","10.0967","0.0015","90","","90.944","0.009","90","","1032.3","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl4 Hf2 -","- C20 H20 Cl4 Hf2 -","- C40 H40 Cl8 Hf4 -","2","0.5","FR1091","Morris, Robert J.; Shaw, Scott L.; Huffman, John C.; Bollinger, John C.","Di-μ-chloro-bis[chloro(η^5^-indenyl)methylhafnium(IV)]","Acta Crystallographica Section C","1998","54","11","1617","1618","10.1107/S0108270198005368","","","0.71069","MoKα","","","0.028","","","","0.028","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007813","10.526","0.006","14.03","0.004","16.884","0.004","93.16","0.02","103.19","0.03","110.99","0.03","2240.7","1.6","293","","","","","","","","","","","7","P -1","-P 1","2","","pyridino-1κN-μ-nitrobenzolate-2κO;3κO'- tris(diethoxyldithiophosphate)-1κ^2^S,S';2κ^2^S,S';3κ^2^S,S'-μ~3~- thio-tri-μ-thio-1:2κ^2^S;1:3κ^2^S;2:3κ^2^S-triangulo-trimolybdenum","","- C24 H39 Mo3 N2 O10 P3 S10 -","- C24 H39 Mo3 N2 O10 P3 S10 -","- C48 H78 Mo6 N4 O20 P6 S20 -","2","1","FR1109","Xia, Ji-Bo; Yao, Yuan-Gen; Wu, Ling; Huang, Xiao-Ying; Lu, Jia-Xi","A Trinuclear Molybdenum Cluster Coordinated by <i>o</i>-Nitrobenzoate","Acta Crystallographica Section C","1998","54","11","1612","1615","10.1107/S010827019800482X","","","0.71069","MoKα","","","0.044","","","0.055","","","","","1.8","1.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007814","22.8039","0.0011","10.334","0.0008","26.1543","0.0015","90","","90","","90","","6163.4","0.7","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(bromotri(p-tolyl)tin(IV))","","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C59 H72 Br2 N2 O2 S2 Sn2 -","- C236 H288 Br8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.158","0.044","","0.131","0.101","","","","1.01","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007815","22.7565","0.0012","10.3774","0.0011","26.752","0.003","90","","90","","90","","6317.6","1","296","1","296","1","","","","","","","","7","P n a 21","P 2c -2n","33","","(μ-κO,O'-1,9-(2,4-pentanedioneimino)-3,7-dithianonane)- bis(iodotri(p-tolyl)tin(IV))","","- C59 H72 I2 N2 O2 S2 Sn2 -","- C59 H72 I2 N2 O2 S2 Sn2 -","- C236 H288 I8 N8 O8 S8 Sn8 -","4","1","FR1121","Bajue, Stanley A.; Bramwell, Fitzgerald B.; Brock, Carolyn Pratt; Bontemps, Jeuneviette","2:1 Adducts of Halotris(<i>p</i>-tolyl)tin(IV) with 1,9-Bis(4-oxopent-2-en-2-ylamino)-3,7-dithianonane","Acta Crystallographica Section C","1998","54","11","1618","1622","10.1107/S0108270198006209","","","0.71073","MoKα","","0.096","0.028","","0.073","0.054","","","","1.04","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007816","16.555","0.001","10.062","0.001","12.972","0.002","90","","93.153","0.008","90","","2157.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","μ‒oxobis[(endo‒isodicyclopentadienyl)dichlorotitanium(IV)]","","","- C20 H22 Cl4 O Ti2 -","- C20 H22 Cl4 O Ti2 -","- C80 H88 Cl16 O4 Ti8 -","4","1","FR1123","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.","A [{TiCl~2~(isodiCp)}~2~(μ-O)] Dimer and a Twinned Cyclic [TiCl(isodiCp)(μ-O)]~4~ Tetramer","Acta Crystallographica Section C","1998","54","11","1609","1612","10.1107/S0108270198006945","","","0.7093","MoKα","","0.125","0.047","","0.096","0.079","","","","1.198","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007817","16.331","0.001","16.331","0.001","7.498","0.001","90","","90","","90","","1999.7","0.3","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","cyclo-tetrakis[μ‒oxo(endo‒isodicylopentadienyl)chlorotitanium(IV)]","","","- C40 H44 Cl4 O4 Ti4 -","- C40 H44 Cl4 O4 Ti4 -","- C80 H88 Cl8 O8 Ti8 -","2","0.25","FR1123","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.","A [{TiCl~2~(isodiCp)}~2~(μ-O)] Dimer and a Twinned Cyclic [TiCl(isodiCp)(μ-O)]~4~ Tetramer","Acta Crystallographica Section C","1998","54","11","1609","1612","10.1107/S0108270198006945","","","0.7093","MoKα","","0.045","0.026","","0.073","0.064","","","","1.176","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007818","8.411","0.0007","11.8372","0.0009","11.1004","0.0009","90","","100.066","0.001","90","","1088.17","0.15","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 B N O Si -","- C7 H20 B N O Si -","- C28 H80 B4 N4 O4 Si4 -","4","1","FR1124","Ramon Huertas; Jesus R. Medina; John A. Soderquist; Songping D. Huang","<i>N</i>-Borane-<i>N</i>-(trimethylsilyl)morpholine","Acta Crystallographica Section C","1998","54","11","1645","1647","10.1107/S0108270198007410","","","0.7107","MoKα","","0.045","0.032","","0.0557","","0.05","","","1.124","","","1.17","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007819","9.224","0.002","27.735","0.006","10.497","0.003","90","","112.42","0.01","90","","2482.4","1.1","163","","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cis-syn-cis-dicyclohexano-18-crown-6 sodium perrhenate","cis-syn-cis-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0^9,14^]hexacosane sodium perrhenate","","- C20 H36 Na O10 Re -","- C20 H36 Na O10 Re -","- C80 H144 Na4 O40 Re4 -","4","1","FR1125","Bryan, Jeffrey C.","<i>cis</i>‒<i>syn</i>‒<i>cis</i>-Dicyclohexano-18-crown-6 Sodium Perrhenate","Acta Crystallographica Section C","1998","54","11","1569","1571","10.1107/S0108270198007422","","","0.71073","MoKα","","0.054","0.035","","0.095","0.086","","","","1.12","1.16","1.16","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007820","8.044","0.001","17.093","0.001","6.949","0.001","90","","105.92","0.01","90","","918.81","0.19","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-ammoniosalicylic acid chloride monohydrate","5-ammoniosalicylic acid chloride monohydrate","","- C7 H10 Cl N O4 -","- C7 H10 Cl N O4 -","- C28 H40 Cl4 N4 O16 -","4","1","FR1127","Dobson, Allison J.; Gerkin, Roger E.","5-Ammoniosalicylic Acid Chloride Monohydrate","Acta Crystallographica Section C","1998","54","11","1632","1634","10.1107/S0108270198007045","","","0.71073","MoKα","","","0.036","","","0.057","","","","","2.98","2.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007821","7.9494","0.0009","13.3702","0.0007","14.9355","0.0008","90","","90","","90","","1587.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis-1,2-(o-nitrophenoxy)benzene","","","- C18 H12 N2 O6 -","- C18 H12 N2 O6 -","- C72 H48 N8 O24 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.042","0.042","","0.114","","0.114","","","1.025","1.05","1.05","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007822","10.9111","0.0007","18.0088","0.0009","7.583","0.0006","90","","93.362","0.008","90","","1487.46","0.17","173","","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis-1,2-(o-aminophenoxy)benzene","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.057","0.039","","","","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007823","8.6656","0.0006","17.7913","0.0014","10.7602","0.0006","90","","97.548","0.006","90","","1644.6","0.2","296","","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meso-bis-1,2-(2'-hydroxycyclohexyloxy)benzene","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.06","0.033","","","","0.09","","","1.03","1.09","1.09","1.04","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007824","4.8554","0.0006","4.8554","0.0006","23.2156","0.0017","90","","90","","120","","473.98","0.09","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Barium cobalt(II) phosphate","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba3 Co6 O24 P6 -","3","0.166667","FR1136","Bircsak, Zsolt; Harrison, William T. A.","Barium Cobalt Phosphate, BaCo~2~(PO~4~)~2~","Acta Crystallographica Section C","1998","54","11","1554","1556","10.1107/S010827019800794X","","","0.71073","MoKα","","0.0175","0.017","","","","0.045","","","","","","1.178","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007825","18.797","0.002","9.5553","0.0006","19.4819","0.0013","90","","109.574","0.006","90","","3296.9","0.5","173","","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","mer-(triphenylphosphine)(triphenylphosphine oxide)trichlorooxorhenium(V)","","","- C36 H30 Cl3 O2 P2 Re -","- C36 H30 Cl3 O2 P2 Re -","- C144 H120 Cl12 O8 P8 Re4 -","4","1","FR1142","Bryan, Jeffrey C.; Perry, Marc C.; Arterburn, Jeffrey B.","Trichlorooxo(triphenylphosphine)(triphenylphosphine oxide)rhenium(V)","Acta Crystallographica Section C","1998","54","11","1607","1608","10.1107/S010827019800818X","","","0.71073","MoKα","","0.07","0.0399","","0.11","0.0986","","","","1.031","1.074","1.074","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007826","6.027","0.003","8.608","0.002","22.935","0.004","97.75","0.02","93.72","0.04","98.87","0.04","1160.4","0.7","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 N O4 P -","- C23 H33 N O4 P -","- C46 H66 N2 O8 P2 -","2","1","GS1002","Grimaldi, Sandra; Siri, Didier; Finet, Jean-Pierre; Tordo, Paul","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>-(1-dibenzylphosphono-2,2-dimethylpropyl)nitroxide","Acta Crystallographica Section C","1998","54","11","1712","1714","10.1107/S0108270198005216","","","0.71073","MoKα","","0.126","0.049","","","0.067","","","","","1.102","1.102","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2007827","13.385","0.004","5.215","0.001","22.159","0.004","90","","107.29","0.04","90","","1476.9","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","L'Anhydride Cis-1,2,3,6-Tétrahydrophtalique","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","GS1003","Ben Fredj, Arij; Ben Redjeb, Sadok; Ben Amor, Fatma; Driss, Ahmed","L'Anhydride <i>cis</i>-1,2,3,6-Tétrahydrophtalique","Acta Crystallographica Section C","1998","54","11","1710","1712","10.1107/S0108270198006957","","","0.71069","MoKα","","0.091","0.045","","0.114","0.099","","","","1.082","1.252","1.252","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007828","7.2694","0.0011","9.649","0.002","25.045","0.004","90","","90","","90","","1756.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(3-furyl)-1,4,4a,5,9,10,10a,10b-octahydro-4-hydroxy-4a,10a-dimethyl-1,4- etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","HA1216","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Fibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1998","54","11","1649","1651","10.1107/S0108270198007069","","","0.71073","MoKα","","0.088","0.053","","0.142","0.129","","","","0.912","1.093","1.093","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007829","9.0498","0.0002","5.2275","0.0001","25.0771","0.0002","90","","97.71","","90","","1175.62","0.04","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","o-Phenylenediamine and Pyrocatechol (1:1) monohydrate complex","","- C12 H15 N2 O2.5 -","- C12 H15 N2 O2.5 -","- C48 H60 N8 O10 -","4","1","HA1221","Shyamaprosad Goswami; Reshmi Mukherjee; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun","<i>o</i>-Phenylenediamine Pyrocatechol Hemihydrate Complex","Acta Crystallographica Section C","1998","54","11","1647","1649","10.1107/S0108270198006751","","","0.71073","MoKα","","0.0601","0.0411","","0.1066","0.0959","","","","1.057","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007830","8.205","0.001","10.319","0.001","27.168","0.003","90","","90","","90","","2300.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'R)-1,5-Dimethyl-4-phenyl-3-acetyl-[2'-phenyl-2'(1-naphthyl)] -imidazolidin-2-one","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","HA1223","Baggio, Ricardo; Lotz, Guillermo; Palacios, Sara; Mariezcurrena, Raúl A.","(4<i>S</i>,5<i>R</i>,2'<i>R</i>)-3,4-Dimethyl-1-[2'-(1-naphthyl)-2'-phenylacetyl]-5-phenylimidazolidin-2-one","Acta Crystallographica Section C","1998","54","11","1677","1679","10.1107/S0108270198006453","","","0.71073","MoKα","","0.073","0.04","","","","0.087","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007831","11.438","0.002","8.902","0.001","17.189","0.003","90","","96.35","0.01","90","","1739.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br2 N2 O2 -","- C17 H16 Br2 N2 O2 -","- C68 H64 Br8 N8 O8 -","4","1","JZ1285","Elerman, Yalc̨in; Elmali, Ayhan; Kabak, Mehmet; Svoboda, Ingrid","<i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-1,3-propanediamine","Acta Crystallographica Section C","1998","54","11","1701","1703","10.1107/S0108270198005046","","","0.71069","MoKα","","0.1253","0.0365","","0.0967","0.0727","","","","0.98","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007832","7.788","0.001","7.796","0.001","9.457","0.001","68.11","0.01","72.9","0.01","87.94","0.01","507.47","0.12","292","","292","","","","","","","","","5","P -1","-P 1","2","","1,3-Propanediammonium Tetrachloromercurate","","- C3 H12 Cl4 Hg N2 -","- C3 H12 Cl4 Hg N2 -","- C6 H24 Cl8 Hg2 N4 -","2","1","JZ1287","Spengler, Roland; Zouari, Ridha; Zimmermann, Helmuth; Ben Salah, Abdelhamid; Burzlaff, Hans","1,3-Propanediammonium Tetrachloromercurate","Acta Crystallographica Section C","1998","54","11","1628","1631","10.1107/S0108270198008282","","","0.70926","MoKα","","0.034","0.034","","0.071","0.048","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007833","12.7462","0.001","9.1967","0.0005","11.495","0.0009","90","","114.977","0.007","90","","1221.46","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trichloro-1,2,3-trimethylbenzenebismuth(III)","","- C9 H12 Bi Cl3 -","- C9 H12 Bi Cl3 -","- C36 H48 Bi4 Cl12 -","4","1","JZ1297","Frank, Walter; Reiland, Vera","Heavy-Metal π Complexes. 13. Trichloro(1,2,3-trimethylbenzene)bismuth(III)","Acta Crystallographica Section C","1998","54","11","1626","1628","10.1107/S0108270198008294","","","0.71073","MoKα","","0.0308","0.0261","","","","0.0629","","","","","","1.006","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007834","6.291","0.002","11.009","0.002","20.185","0.0011","90","","93.939","0.011","90","","1394.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl3 O4 -","- C11 H13 Cl3 O4 -","- C44 H52 Cl12 O16 -","4","1","KA1266","Zsolt Böcskei; Zoltán Hell; Zoltán Finta; László Töke; Kálmán Simon","A Bicyclic Cyclopropane Carboxylic Acid Lactone from a Solid‒Liquid PTC Reaction","Acta Crystallographica Section C","1998","54","11","1694","1695","10.1107/S0108270198007951","","","1.54178","CuKα","","0.1216","0.0587","","0.1896","0.1399","","","","1.088","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007835","14.346","0.007","8.431","0.003","6.019","0.002","90","","99.48","0.05","90","","718.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly-[(Ammine)0.7-(aqua)0.3-zinc(II)-tricyanocuprate(I)]","","- C3 H2.7 Cu N3.7 O0.3 Zn -","- C3 Cu N3.7 O0.3 Zn -","- C12 Cu4 N14.8 O1.2 Zn4 -","4","0.5","KA1270","Černák, Juraj; Žák, Zdirad; Chomič, Jozef; Kappenstein, Charles","Copper‒Zinc Oxide Catalysts. VII. Zn(NH~3~)~0.7~(H~2~ O)~0.3~Cu(CN)~3~","Acta Crystallographica Section C","1998","54","11","1551","1553","10.1107/S0108270198007021","","","0.71073","MoKα","","0.074","0.036","","0.133","0.106","","","","1.155","1.242","1.242","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007836","10.167","0.002","14.499","0.003","17.86","0.004","90","","92.5","0.03","90","","2630.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexa potassium μ-oxo-bis{[2-hydroxy-κO-1,2,3-propanetricarboxylato(4-)-O^1^,O^2^] dioxomolybdenum(IV)} dihydrate","","- C12 H12 K6 Mo2 O21 -","- C24 H16 K12 Mo4 O42 -","- C48 H32 K24 Mo8 O84 -","2","0.25","KA1274","Xing, Yong-Heng; Xu, Ji-Qing; Sun, Hao-Ran; Li, Dong-Mei; Wang, Ren-Zhang; Wang, Tie-Gang; Bu, Wei-Ming; Ye, Ling; Yang, Guang-Di; Fan, Yu-Guo","Hexapotassium μ-Oxo-bis[(citrato)dioxomolybdenum] Dihydrate","Acta Crystallographica Section C","1998","54","11","1615","1616","10.1107/S0108270198006519","","","0.71073","MoKα","","0.05","0.04","","0.108","0.102","","","","1.068","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007837","7.303","0.001","8.583","0.002","10.489","0.002","100.92","0.03","103.27","0.03","98.88","0.03","614.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4,5-Dihydroimidazol-2-yl)phthalazinone-1 Hydroiodides","","- C11 H11 I N4 O -","- C11 H11 I N4 O -","- C22 H22 I2 N8 O2 -","2","1","KA1276","Główka, Marek L.; Książek, Waldemar","2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5-dihydroimidazolium Iodide and 2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5,6,7-tetrahydro-1,3-diazepinium Iodide","Acta Crystallographica Section C","1998","54","","1691","1693","10.1107/S010827019800701X","","","1.54178","CuKα","","0.047","0.042","","","0.115","0.119","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007838","8.196","0.002","8.55","0.002","10.787","0.002","77.43","0.03","73.15","0.03","83.58","0.03","705.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4,5,6,7-Tetrahydrodiazepin2-yl)phthalazinone-1 Hydroiodides","","- C13 H15 I N4 O -","- C13 H15 I N4 O -","- C26 H30 I2 N8 O2 -","2","1","KA1276","Główka, Marek L.; Książek, Waldemar","2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5-dihydroimidazolium Iodide and 2-(1,2-Dihydro-1-oxophthalazin-2-yl)-4,5,6,7-tetrahydro-1,3-diazepinium Iodide","Acta Crystallographica Section C","1998","54","","1691","1693","10.1107/S010827019800701X","","","1.54178","CuKα","","0.05","0.043","","","0.111","0.119","","","","","","1.092","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007839","7.631","0.002","10.888","0.002","9.917","0.002","90","","94.14","0.03","90","","821.8","0.3","293","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5 Dinitroindazole","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","KA1282","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1,5-Dinitro-1<i>H</i>-indazole","Acta Crystallographica Section C","1998","54","11","1687","1689","10.1107/S0108270198007434","","","0.71073","MoKα","","0.051","0.041","","","","0.117","","","","","","1.183","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007840","9.022","0.001","11.052","0.001","26.58","0.003","90","","90","","90","","2650.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl glycyl-L-valyl-L-tryptophan methyl ester","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","1","NA1355","Sankaran Banumathi; Devadasan Velmurugan; Easwara Subramanian; Sethuram Bandacharya Katti; Wahajul Haq","Methyl <i>N</i>-(<i>tert</i>-Butoxycarbonyl)glycyl-<small>L</small>-valyl-<small>L</small>-tryptophanate","Acta Crystallographica Section C","1998","54","11","1681","1683","10.1107/S0108270198005460","","","1.5418","CuKα","","0.064","0.051","","","","0.178","","","","","","0.913","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007841","7.055","0.002","12.531","0.002","24.464","0.002","90","","90","","90","","2162.8","0.7","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O3 S3 -","- C20 H25 N O3 S3 -","- C80 H100 N4 O12 S12 -","4","1","NA1360","Kuhl, Alexander; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","13,13-Ethylenedithio-3-mesyloxy-18-nor-13,17-secoestra-1,3,5(10)-triene-17-nitrile","Acta Crystallographica Section C","1998","54","11","1714","1716","10.1107/S0108270198005472","","","0.71069","MoKα","","0.149","0.058","","","","0.109","","","","","","1.148","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007842","12.243","0.002","12.243","0.002","32.923","0.004","90","","90","","90","","4934.9","1.3","293","","293","","","","","","","","","5","I 41/a :2","-I 4ad","88","","octa(μ-methoxo)octa(μ-oxo)octaoxotetrapyridineoctamolybdenum(V)","","- C28 H44 Mo8 N4 O24 -","- C28 H44 Mo8 N4 O24 -","- C112 H176 Mo32 N16 O96 -","4","0.25","NA1365","Modec, Barbara; Brenčič, Jurij V.; Rotar, Rok; Golič, Ljubo; Prout, Keith","An Oxomolybdenum(V) Cluster, [Mo~8~O~16~(OCH~3~)~8~(C~5~H~5~N)~4~]","Acta Crystallographica Section C","1998","54","11","1573","1575","10.1107/S0108270198006106","","","0.71069","MoKα","","","0.027","","","","0.028","","","","","","0.976","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007843","8.341","0.0011","9.2516","0.0011","13.522","0.002","81.329","0.009","84.722","0.009","68.05","0.007","956","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(S)-5-fluoroformyl-1-triphenylmethylpyrrolid-2-one","","- C24 H20 F N O2 -","- C24 H20 F N O2 -","- C48 H40 F2 N2 O4 -","2","2","NA1368","Vassilios Nastopoulos; George Karigiannis; Petros Mamos; Dionissios Papaioannou; Constantin Kavounis","(<i>S</i>)-<i>N</i>-Triphenylmethylpyroglutamyl Fluoride","Acta Crystallographica Section C","1998","54","11","1718","1720","10.1107/S010827019800729X","","","0.71069","MoKα","","0.07","0.042","","","","0.12","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007844","8.65","0.004","14.309","0.006","11.042","0.003","90","","105.83","0.03","90","","1314.9","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H44 Cl2 Cu N4 O5 -","- C20 H44 Cl2 Cu N4 O5 -","- C40 H88 Cl4 Cu2 N8 O10 -","2","1","OA1052","Kojima, Yoshitane; Seki, Yoshio; Yasuda, Showji; Hirotsu, Ken; Miyake, Hiroyuki","A Copper(II) Complex of a Structurally Reinforced Chiral 14-Membered Aza-Macrocycle","Acta Crystallographica Section C","1998","54","11","1602","1604","10.1107/S0108270198002637","","","0.7107","MoKα","","","0.046","","","0.053","","","","","","","1.367","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007845","17.036","0.006","16.501","0.004","19.517","0.005","90","","104.62","0.02","90","","5309","3","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(pentafluoro)phenylborane-water","","- C23 H12 B Cl2 F15 O3 -","- C23 H12 B Cl2 F15 O3 -","- C184 H96 B8 Cl16 F120 O24 -","8","1","OS1004","Janiak, Christoph; Braun, Lothar; Scharmann, Tobias G.; Girgsdies, Frank","A Water Adduct of Tris(pentafluorophenyl)borane: (C~6~F~5~)~3~B(OH~2~)‒Dioxane‒CH~2~Cl~2~ (1/1/1)","Acta Crystallographica Section C","1998","54","11","1722","1724","10.1107/S0108270198007252","","","0.71069","MoKα","","0.119","0.046","","0.124","0.099","","","","1.003","1.138","1.138","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007846","5.129","0.001","8.84","0.002","10.1","0.002","90","","91.36","0.03","90","","457.81","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B Co Li O3 -","- B Co Li O3 -","- B8 Co8 Li8 O24 -","8","1","OS1009","Piffard, Yves; Rangan, Krishnaswamy Kasthuri; An, Yonglin; Guyomard, Dominique; Tournoux, Michel","Cobalt Lithium Orthoborate, LiCoBO~3~","Acta Crystallographica Section C","1998","54","11","1561","1563","10.1107/S0108270198007458","","","0.71073","MoKα","","0.081","0.033","","0.069","0.058","","","","0.977","1.06","1.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007847","8.736","0.002","9.909","0.002","12.705","0.003","70.37","0.03","76.86","0.03","88.74","0.03","1007","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(mu)~2~-chloro)-bis(η-5]-trimethylsilyl-cyclopentadienyl)samarium(iii))","","- C32 H52 Cl2 Si4 Sm2 -","- C16 H26 Cl Si2 Sm -","- C32 H52 Cl2 Si4 Sm2 -","2","1","OS1010","Marie-Rose Spirlet; Jean Goffart","Dicyclopentadienyl Complexes of Samarium(III): [Sm(η^5^-C~5~H~4~SiMe~3~)~2~(μ-Cl)]~2~","Acta Crystallographica Section C","1998","54","11","1624","1626","10.1107/S0108270198008300","","","0.71073","MoKα","","0.07","0.0613","","0.0673","0.0673","","","","2.65","2.64","2.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007848","21.198","0.008","6.3283","0.0009","35.442","0.009","90","","104.44","0.02","90","","4604","2","122","0.5","122","2","","","","","","","","4","C 1 2 1","C 2y","5","","Quininium (S,S)-hydrogen tartrate hemihydrate","","- C48 H62 N4 O17 -","- C48 H62 N4 O17 -","- C192 H248 N16 O68 -","4","1","OS1012","Ryttersgaard, Carsten; Larsen, Sine","Quininium Hydrogen (<i>S</i>,<i>S</i>)-Tartrate Hemihydrate, a Salt with a Unique Conformation of the Hydrogen Tartrate Ion","Acta Crystallographica Section C","1998","54","11","1698","1701","10.1107/S0108270198004399","","","1.5418","CuKα","","0.039","0.0366","","","","0.0976","","","","","","1.036","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007849","13.637","0.002","7.866","0.002","12.844","0.001","90","","109.574","0.008","90","","1298.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-mercaptoethyl)-2-methyl-1,2-dicarba-closo-dodecaborane(12)","","- C5 H18 B10 S -","- C5 H18 B10 S -","- C20 H72 B40 S4 -","4","1","OS1018","Raikko Kivekäs; Josefina Pedrajas; Francesc Teixidor; Reijo Sillanpää","1-(2-Mercaptoethyl)-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1998","54","11","1716","1718","10.1107/S0108270198007264","","","0.71069","MoKα","","0.085","0.051","","0.172","0.145","","","","1.055","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007850","8.553","0.004","12.86","0.005","15.53","0.007","90","","104.08","0.04","90","","1656.9","1.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloro(tetrahydrofuran-O)[tris(1-pyrazolyl-N^2^)borato]vanadium(III)","","- C13 H18 B Cl2 N6 O V -","- C13 H18 B Cl2 N6 O V -","- C52 H72 B4 Cl8 N24 O4 V4 -","4","1","OS1019","Rehder, Dieter; Gailus, Hartmut; Schmidt, Hauke","Dichloro(tetrahydrofuran-<i>O</i>)[tris(1-pyrazolyl-<i>N</i>^2^)borato]vanadium(III)","Acta Crystallographica Section C","1998","54","11","1590","1592","10.1107/S010827019800612X","","","0.71073","MoKα","","0.086","0.057","","0.151","0.136","","","","1.031","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007851","10.881","0.005","10.878","0.005","13.794","0.004","90","","109.77","0.03","90","","1536.5","1.1","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","OS1031","Pajunen, Aarne; Mariitta Kokko","1,5-Diphenylbicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,<i>endo</i>-3-dicarboxylic Anhydride and 1,5-diphenylbicyclo[2.2.1]hept-5-ene-<i>exo</i>-2,<i>exo</i>-3-dicarboxylic Anhydride","Acta Crystallographica Section C","1998","54","11","1724","1727","10.1107/S010827019800849X","","","0.71073","MoKα","","0.0529","0.0475","","","","0.1317","","","","","","1.078","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007852","6.455","0.001","24.917","0.005","10.016","0.002","90","","103.11","0.03","90","","1569","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C84 H64 O12 -","4","1","OS1031","Pajunen, Aarne; Mariitta Kokko","1,5-Diphenylbicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,<i>endo</i>-3-dicarboxylic Anhydride and 1,5-diphenylbicyclo[2.2.1]hept-5-ene-<i>exo</i>-2,<i>exo</i>-3-dicarboxylic Anhydride","Acta Crystallographica Section C","1998","54","11","1724","1727","10.1107/S010827019800849X","","","0.71073","MoKα","","0.069","0.0509","","","","0.1134","","","","","","1.061","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007853","9.897","0.001","12.97","0.002","13.516","0.003","86.92","0.01","83.19","0.01","76.28","0.01","1673","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Tetracyclohexylcyclotetraphosphinepentacarbonylchrom(0)","","- C29 H44 Cr O5 P4 -","- C29 H44 Cr O5 P4 -","- C58 H88 Cr2 O10 P8 -","2","1","QA0055","Deeg, Axel; Wunderlich, Hartmut","Pentacarbonyl(1,2,3,4-tetracyclohexylcyclotetraphosphane-<i>P</i>)chromium(0), [Cr(CO)~5~(chexP)~4~]","Acta Crystallographica Section C","1998","54","11","IUC9800054","","10.1107/S0108270198099260","","","0.71073","MoKα","","0.0483","0.0328","","","","0.0985","","","","","","1.063","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007854","6.4252","0.0009","8.6755","0.0014","14.856","0.003","73.359","0.013","83.302","0.013","74.22","0.012","762.8","0.2","125","2","125","2","","","","","","","","2","P -1","-P 1","2","","E-2,5-Bis(dimethyl)-3,4-diisopropyl-hexa-3-ene","","- C16 H32 -","- C16 H32 -","- C32 H64 -","2","1","QA0056","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","(<i>E</i>)-3,4-Diisopropyl-2,5-dimethylhex-3-ene at 125K","Acta Crystallographica Section C","1998","54","11","IUC9800055","","10.1107/S0108270198099247","","","0.71073","MoKα","","0.071","0.0466","","","","0.124","","","","","","1.053","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007855","15.096","0.004","7.329","0.002","16.176","0.004","90","","90","","90","","1789.7","0.8","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(1-Methylimidazole-N^3^)triphenylboron","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","QA0057","Bélanger, Suzanne; Beauchamp, André L.","(1-Methylimidazole-<i>N</i>^3^)triphenylboron","Acta Crystallographica Section C","1998","54","11","IUC9800057","","10.1107/S0108270198099223","","","1.54056","CuKα","","0.073","0.037","","0.078","","0.068","","","0.95","","","0.96","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007856","7.837","0.004","15.807","0.009","7.02","0.006","90.41","0.06","108.66","0.05","86.73","0.05","822.5","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(±)-(1S)-2-(2-Methyl-1,3-dioxolan-2-yl)-1-[(1S)-2-methylenecyclopropyl] ethyl-4-nitro-1-benzenecarboxylate","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","QA0058","Boffey, Raymond J.; Kilburn, Jeremy D.; Webster, Michael","(±)-(1<i>S</i>)-2-(2-Methyl-1,3-dioxolan-2-yl)-1-[(1<i>S</i>)-2-methylenecyclopropyl]-1-ethyl 4-Nitrobenzoate","Acta Crystallographica Section C","1998","54","11","IUC9800056","","10.1107/S0108270198099235","","","0.71073","MoKα","","0.1246","0.0539","","","","0.1784","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007857","16.232","0.001","7.449","0.0004","16.125","0.001","90","","103.8","0.01","90","","1893.4","0.2","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetra(methylammonium)chloride hexachloroindiumate","","- C4 H24 Cl7 In N4 -","- C4 H24 Cl7 In N4 -","- C16 H96 Cl28 In4 N16 -","4","1","QA0060","Rothammel, Walter; Spengler, Roland; Burzlaff, Hans; Jarraya, S.; Ben Salah, Abdelhamid","Redetermination of Tetrakis(methylammonium) Hexachloroindate Chloride","Acta Crystallographica Section C","1998","54","11","IUC9800059","","10.1107/S0108270198099284","","","0.70926","MoKα","","","0.052","","","0.03","","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007858","9.9115","0.0013","12.4531","0.0013","16.053","0.003","90","","90","","90","","1981.4","0.5","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S,4aR,10as)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","QA0061","Low, John N.; Ferguson, George; López M. Dolores; Quijano M. Luisa; Sánchez, Adolfo; Nogueras, Manuel; Cobo, Justo","(3<i>S</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5-Acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridine-3,4-diyl Diacetate","Acta Crystallographica Section C","1998","54","11","IUC9800060","","10.1107/S0108270198099211","","","0.7107","MoKα","","0.095","0.051","","","","0.124","","","","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007859","13.543","0.004","10.2302","0.0015","8.894","0.003","90","","108.54","0.03","90","","1168.3","0.6","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","ammonium manganese (II) gallium phosphate dihydrate","","- Ga2 H4 Mn N O14 P3 -","- Ga2 H4 Mn N O14 P3 -","- Ga8 H16 Mn4 N4 O56 P12 -","4","0.5","QA0062","Chippindale, Ann M.; Cowley, Andrew R.; Bond, Andrew D.","A New Ammonium Manganese(II) Gallium Phosphate Hydrate: NH~4~[MnGa~2~(PO~4~)~3~(H~2~ O)~2~]","Acta Crystallographica Section C","1998","54","11","IUC9800061","","10.1107/S0108270198099272","","","1.5418","CuKα","","","0.03","","","0.034","","","","","1.081","1.081","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007860","14.649","0.003","12.893","0.003","26.218","0.005","90","","93.14","0.02","90","","4944.3","1.8","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.98 H12.54 Cl F20 Fe N4 -","- C44 H8 Cl F20 Fe N4 -","- C176 H32 Cl4 F80 Fe4 N16 -","4","1","QB0063","Song, Byungho; Swenson, Dale C.; Goff, Harold M.","Chloro[5,10,15,20-tetrakis(pentafluorophenyl)porphinato]iron(III) 0.57-Toluene Solvate","Acta Crystallographica Section C","1998","54","11","IUC9800058","","10.1107/S0108270198099259","","","0.7107","MoKα","","0.153","0.069","","","","0.216","","","","","","0.879","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007861","12.1159","0.0016","12.7354","0.0019","13.824","0.003","112.98","0.02","93.55","0.02","104.94","0.02","1865.4","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cu2 N4 O5 -","- C40 H46 Cu2 N4 O5 -","- C80 H92 Cu4 N8 O10 -","2","1","SK1071","Lu, Tian-Huey; Yao, Hsueh-Hua; Lo, Jem-Mau; Tung, Shu-Fang","An Ethanol-Solvated Copper(II) Complex of 1,3-Bis(2-hydroxybenzylimino)pentane","Acta Crystallographica Section C","1998","54","11","1600","1602","10.1107/S0108270198004831","","","0.71073","MolybdenumKα","","0.051","0.051","","0.041","0.041","","","","","2.07","2.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007862","7.796","0.003","9.627","0.004","12.792","0.004","90","0.03","90","0.03","90","0.03","960.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,7S,8aS)-1,7-dihydroxyindolizidine","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C32 H68 N4 O12 -","4","1","SK1094","Garofano, Lidia; Guerri, Annalisa; Orioli, Pierluigi","(1<i>R</i>,7<i>S</i>,8a<i>S</i>)-1,7-Dihydroxyindolizidine Hydrate","Acta Crystallographica Section C","1998","54","11","1705","1707","10.1107/S0108270198005939","","","0.71069","MoKα","","0.056","0.043","","0.131","0.122","","","","1.062","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007863","22.943","0.004","5.893","0.013","20.541","0.005","90","","90.49","0.03","90","","2777","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(oxo-5 prolinato)zinc(II)","","- C10 H16 N2 O8 Zn -","- C10 H16 N2 O8 Zn -","- C80 H128 N16 O64 Zn8 -","8","1","SK1173","Loireau-Lozach, A. M.; Céolin, R.; Solans, X.; Font-Bardia, M.","Racemic Phase of Diaquabis(5-oxoprolinato)zinc(II)","Acta Crystallographica Section C","1998","54","11","1571","1573","10.1107/S0108270198006039","","","0.71069","MoKα","","0.102","0.059","","0.181","0.145","","","","1.041","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007864","11.311","0.001","3.61","0.001","4.8","0.001","90","","90","","90","","196","0.07","295","","295","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","SK1183","Meetsma, Auke; de Boer, Jan L.; Damascelli, A.; Jegoudez, J.; Revcolevschi, A.; Palstra, T.T.M.","Inversion Symmetry in the Spin-Peierls Compound α'-NaV~2~O~5~","Acta Crystallographica Section C","1998","54","11","1558","1561","10.1107/S0108270198004855","","","0.71073","MoKα","","0.0176","0.0151","","","","0.0386","","","","","","1.126","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007865","9.331","0.004","10.678","0.003","12.884","0.003","65.94","0.02","78.75","0.02","83.8","0.03","1149.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-N,N')(3,6-dichloro-2,5- dihydroxy-1,4-benzoquinato-O,O')copper(II)-Acetonitrile Solvate","","- C21 H15.5 Cl2 Cu N2.5 O9 -","- C21 H15.5 Cl2 Cu N2.5 O9 -","- C42 H31 Cl4 Cu2 N5 O18 -","2","1","SK1187","Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio","Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-<i>N</i>,<i>N</i>')(3,6-dichloro-4,5-dihydroxy-1,2-benzoquinonato-<i>O</i>^4^,<i>O</i>^5^)copper(II) Acetonitrile Hemisolvate","Acta Crystallographica Section C","1998","54","11","1578","1580","10.1107/S0108270198006507","","","0.71073","MoKα","","0.1666","0.0566","","","","0.1449","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007866","13.7975","0.0013","11.9811","0.0007","14.261","0.002","90","","110.516","0.01","90","","2208","0.4","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2)","","- C26 H22 N4 O3 -","- C26 H22 N4 O3 -","- C104 H88 N16 O12 -","4","1","SK1206","Lavender, Emma S.; Glidewell, Christopher; Ferguson, George","1,3,5-Trihydroxybenzene‒2,2'-Bipyridyl (1/2): a Hydrogen-Bonded Structure Based on a Stem-and-Leaves Motif","Acta Crystallographica Section C","1998","54","11","1637","1639","10.1107/S0108270198007483","","","0.7107","MoKα","","0.087","0.038","","","","0.098","","","","","","0.992","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007867","8.468","0.0007","11.0388","0.0009","21.743","0.0017","90","","97.897","0.006","90","","2013.2","0.3","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-Sulfonyldiphenol‒2,2'bipyridyl (1/1)","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C88 H72 N8 O16 S4 -","4","1","SK1207","Lavender, Emma S.; Glidewell, Christopher; Ferguson, George","Pairwise-Interlocked Chains in 4,4'-Sulfonyldiphenol‒2,2'-Bipyridyl (1/1)","Acta Crystallographica Section C","1998","54","11","1639","1642","10.1107/S0108270198007471","","","0.7107","MoKα","","0.057","0.038","","","","0.096","","","","","","1.026","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007868","6.5872","0.0006","16.06","0.002","14.876","0.001","90","","98.759","0.006","90","","1555.4","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","αlpha, αlpha-bis(4-chlorophenyl)-5-pyrimidinemethanol","","- C17 H12 Cl2 N2 O -","- C17 H12 Cl2 N2 O -","- C68 H48 Cl8 N8 O4 -","4","1","SX1057","Caruso, Francesco; Rossi, Miriam","Bis(4-chlorophenyl)(5-pyrimidinyl)methanol","Acta Crystallographica Section C","1998","54","11","1668","1670","10.1107/S0108270198003485","","","1.54178","CuKα","","0.072","0.072","","0.098","0.098","","","","1","1","1","","","","","has coordinates","278321","2022-10-03","12:07:34",""
"2007869","12.288","0.012","17.557","0.014","7.96","0.015","90","","90","","90","","1717","4","296","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano-2H,6H-dipyrido [1,2-a:1',2'-e][1,5]diazocine-N,N'}dinitrito-O;O,O'-copper(II)","","- C15 H26 Cu N4 O4 -","- C15 H26 Cu N4 O4 -","- C60 H104 Cu4 N16 O16 -","4","1","TA1191","Lee, Yong-Min; Choi, Sung-Nak; Suh, Il-Hwan; Bereman, Robert D.","({-})-Sparteine Copper(II) Dinitrite","Acta Crystallographica Section C","1998","54","11","1582","1584","10.1107/S0108270198005617","","","0.71073","MoKα","","","0.057","","","","0.084","","","","","","1.203","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007870","17.942","0.003","17.942","0.003","28.45","0.006","90","","90","","120","","7931","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- As6 H14 K6 O49 V15 -","- As6 K6 O49 V15 -","- As36 K36 O294 V90 -","6","0.166667","TA1192","Guo-Yu Yang; Lian-Shan Chen; Ji-Qing Xu; Ya-Feng Li; Hao-Ran Sun; Zhi-Wu Pei; Qiang Su; Yong-Hua Lin; Yan Xing; Heng-Qing Jia","K~6~[As~6~V~15~O~42~(H~2~O)].6H~2~O","Acta Crystallographica Section C","1998","54","11","1556","1558","10.1107/S0108270198005629","","","0.71073","MoKα","","0.042","0.031","","0.088","0.081","","","","1.143","1.269","1.269","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007871","9.925","0.002","9.472","0.002","10.347","0.002","90","","91.26","0.02","90","","972.5","0.3","130","2","130","2","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C H4.65 Al0.35 Co0.65 N O4 P -","- C H4.64 Al0.348 Co0.652 N O4 P -","- C8 H37.12 Al2.784 Co5.216 N8 O32 P8 -","8","1","TA1204","Gainsford, Graeme J.; Morgan, Keith R.; Rae, A. David","A Cobalt Aluminophosphate with Encapsulated Ethylenediamine: Co~0.65~Al~0.35~PO~4~.0.5NH~2.65~CH~2~CH~2~NH~2.65~","Acta Crystallographica Section C","1998","54","11","1564","1566","10.1107/S0108270198006842","","","0.71073","MoKα","","","0.054","","","0.064","","","","","1.358","1.358","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007872","4.669","0.002","9.622","0.003","16.377","0.006","90","","94.57","0.05","90","","733.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-bis(imidazol-1-ylmethyl)benzene dihydrate","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","TA1210","Abrahams, Brendan F.; Hoskins, Bernard F.; Robson, Richard; Slizys, Damian A.","1,4-Bis(imidazol-1-ylmethyl)benzene Dihydrate","Acta Crystallographica Section C","1998","54","11","1666","1668","10.1107/S0108270198004806","","","0.71069","MoKα","","0.15","0.07","","0.255","0.194","","","","1.011","1.161","1.161","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2007873","5.4367","0.0007","8.0061","0.0008","29.452","0.003","90","","90","","90","","1282","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O6 -","- C13 H14 N O6 -","- C52 H56 N4 O24 -","4","1","VJ1081","Sriram, D.; Srinivasan, S.; Priya, K.; Aruna, V.; Loganathan, D.","β-1-<i>N</i>-Benzamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","11","1670","1672","10.1107/S0108270198007306","","","1.5418","CuKα","","0.057","0.055","","0.161","0.157","","","","1.085","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007874","28.834","0.003","6.2885","0.0005","30.971","0.003","90","","93.778","0.013","90","","5603.5","0.9","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N2 O3 S Si -","- C30 H36 N2 O3 S Si -","- C240 H288 N16 O24 S8 Si8 -","8","1","AB1537","Boss, Christoph; Stoeckli-Evans, Helen; Keese, Reinhart","<i>trans</i>-7,7-Diphenyl-7-silabicyclo[3.3.0]octan-3-one <i>p</i>-Tosylhydrazone Tetrahydrofuran Solvate","Acta Crystallographica Section C","1998","54","12","1856","1858","10.1107/S0108270198005198","","","0.71073","MoKα","","0.104","0.077","","","","0.225","","","","","","0.989","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007875","9.0124","0.0011","9.0124","0.0011","21.08","0.006","90","","90","","120","","1482.8","0.5","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","Hexakis(imidazole-N^3^)nickel(II) carbonate pentahydrate.","","- C19 H34 N12 Ni O8 -","- C19 H31.98 N12 Ni O8 -","- C38 H63.96 N24 Ni2 O16 -","2","0.166667","BK1383","Povse, Vicente; Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa","Hexakis(imidazole-<i>N</i>^3^)nickel(II) Carbonate Pentahydrate","Acta Crystallographica Section C","1998","54","12","1817","1820","10.1107/S0108270198007409","","","0.71073","MoKα","","0.081","0.038","","0.112","0.091","","","","1.02","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007876","12.669","0.0004","12.6905","0.0004","15.8223","0.0005","73.092","0.001","78.875","0.001","78.849","0.001","2362.48","0.13","295","","295","","","","","","","","","5","P -1","-P 1","2","","tetrakis-tetramethylammonium dihydrogen-decavanadate acetic acid hydrate","","- C18 H59.6 N4 O32.8 V10 -","- C18 H59.58 N4 O32.79 V10 -","- C36 H119.16 N8 O65.58 V20 -","2","1","BK1385","Pecquenard, Brigitte; Zavalij, Peter Y.; Whittingham, M. Stanley","Tetrakis(tetramethylammonium) Dihydrogendecavanadate Acetic Acid 2.8-Hydrate, [N(CH~3~)~4~]~4~[H~2~V~10~O~28~].CH~3~COOH.2.8H~2~O","Acta Crystallographica Section C","1998","54","12","1833","1835","10.1107/S0108270198009044","","","0.7107","MoKα","","","0.046","","","0.071","","","","","1.82","1.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007877","13.1568","0.0006","7.9676","0.0004","16.1884","0.001","90","","96.246","0.005","90","","1686.93","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[N-(2-amino-ethyl-N)-1,2-ethylenediamine-N, N'](isonicotinate-N)(water) Copper(II) hexafluorophosphate","","- C10 H19 Cu F6 N4 O3 P -","- C10 H19 Cu F6 N4 O3 P -","- C40 H76 Cu4 F24 N16 O12 P4 -","4","1","BK1389","Nie, Feng-Mei; Wang, Zhe-Ming; Li, Yan-Mei; Zhao, Yu-Fen; Yan, Chun-Hua","Aqua(diethylenetriamine)(isonicotinato)copper(II) Hexafluorophosphate","Acta Crystallographica Section C","1998","54","12","1853","1855","10.1107/S0108270198010725","","","0.71073","MoKα","","0.0393","0.0305","","","","0.0763","","","","","","1.12","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007878","14.566","0.003","7.886","0.002","14.395","0.003","90","","96.84","0.03","90","","1641.7","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-ethylthio-3H-1,2-dithiole-3-thione","","- C5 H6 S4 -","- C5 H6 S4 -","- C40 H48 S32 -","8","1","BK1396","Ricardo Baggio; Leandro L. Aimar; Rita H. de Rossi; Leopoldo Suescun","5-<i>R</i>-3<i>H</i>-1,2-Dithiole-3-thione (<i>R</i> = Ethylthio and Methylthio)","Acta Crystallographica Section C","1998","54","12","1902","1905","10.1107/S0108270198007793","","","0.71073","MoKα","","0.0327","0.0246","","","","0.0725","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007879","8.831","0.002","7.454","0.002","10.769","0.002","90","","100.74","0.03","90","","696.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methylthio-3H-1,2-dithiole-3-thione","","- C4 H4 S4 -","- C4 H4 S4 -","- C16 H16 S16 -","4","1","BK1396","Ricardo Baggio; Leandro L. Aimar; Rita H. de Rossi; Leopoldo Suescun","5-<i>R</i>-3<i>H</i>-1,2-Dithiole-3-thione (<i>R</i> = Ethylthio and Methylthio)","Acta Crystallographica Section C","1998","54","12","1902","1905","10.1107/S0108270198007793","","","0.71073","MoKα","","0.0457","0.0328","","0.0963","0.0876","","","","1.1","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007880","15.865","0.003","16.781","0.003","12.691","0.003","90","","124.72","0.02","90","","2777.1","1.2","273.2","","273.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 F12 N10 Ni2 P2 S2 -","- C10 H32 F12 N10 Ni2 P2 S2 -","- C40 H128 F48 N40 Ni8 P8 S8 -","4","0.5","BK1401","James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Hambley, Trevor W.","Bis[bis(ethylenediamine-<i>N</i>,<i>N</i>')(μ~<i>N~,{ıt S</i>}-thiocyanato)nickel(II)] Bis(hexafluorophosphate)","Acta Crystallographica Section C","1998","54","12","1809","1811","10.1107/S0108270198008841","","","0.7107","MoKα","","0.034","0.034","","0.047","","0.047","","","1.49","","","1.49","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007881","7.41","0.004","14.392","0.001","7.368","0.004","90","","90","","90","","785.8","0.6","291.2","","291","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Cl6 N2 Te -","- C4 H16 Cl6 N2 Te -","- C8 H32 Cl12 N4 Te2 -","2","0.25","BK1402","Ishida, Hiroyuki; Kashino, Setsuo","Bis(dimethylammonium) Hexachlorotellurate(IV)","Acta Crystallographica Section C","1998","54","12","1811","1813","10.1107/S0108270198009226","","","0.71073","MoKα","","0.075","0.033","","0.034","","0.032","","","2.195","","","2.65","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2007882","7.831","0.001","9.9159","0.0008","10.2115","0.0005","113.128","0.007","91.309","0.007","103.504","0.006","703.21","0.12","296","","296","","","","","","","","","3","P -1","-P 1","2","1-(o-tolylmethyl)naphthalene-2-carboxylic acid","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","BK1403","Gerkin, Roger E.","1-(<i>o</i>-Tolylmethyl)naphthalene-2-carboxylic Acid","Acta Crystallographica Section C","1998","54","12","1885","1887","10.1107/S0108270198009214","","","0.71073","MoKα","","","0.043","","","","0.056","","","","","","2.53","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007883","14.171","0.002","4.338","0.002","16.217","0.002","90","","99.64","0.01","90","","982.8","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","fluorene-2-carboxaldehyde","","","- C14 H10 O -","- C14 H10 O -","- C56 H40 O4 -","4","1","BK1406","Dobson, Allison J.; Gerkin, Roger E.","9<i>H</i>-Fluorene-2-carboxaldehyde","Acta Crystallographica Section C","1998","54","12","1890","1892","10.1107/S0108270198009056","","","0.71073","MoKα","","","0.042","","","0.065","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007884","7.998","0.005","5.413","0.002","19.435","0.005","90","","100.06","0.04","90","","828.5","0.6","293","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dichlorophthalic anhydride","","- C8 H2 Cl2 O3 -","- C8 H2 Cl2 O3 -","- C32 H8 Cl8 O12 -","4","1","BK1409","Britton, Doyle","3,6-Dichlorophthalic Anhydride","Acta Crystallographica Section C","1998","54","12","1892","1894","10.1107/S0108270198009433","","","0.71073","MoKα","","0.061","0.04","","0.11","0.098","","","","1.025","1.087","1.087","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007885","11.8","0.002","16.538","0.004","12.565","0.003","90","","90","","90","","2452","0.9","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H12 N3 O2.5 -","- C13 H12 N3 O2.5 -","- C104 H96 N24 O20 -","8","1","BM1204","Wang, Zuoxiang; Jian, Fangfang; Duan, Chunying; Bai, Zhiping; You, Xiaozeng","2-(2-Hydroxybenzylidene)-1-(2-picoloyl)hydrazine Hemihydrate","Acta Crystallographica Section C","1998","54","12","1927","1929","10.1107/S0108270198003527","","","0.71073","MoKα","","0.138","0.065","","0.227","0.16","","","","1.083","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007886","8.413","0.001","20.534","0.002","11.36","0.001","90","","90","","90","","1962.5","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","phenylethylthioamidinium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","BM1211","Barker, James; Powell, Harold R.","<i>S</i>-Benzylisothiouronium Chloride","Acta Crystallographica Section C","1998","54","12","2019","2021","10.1107/S0108270198008166","","","1.5418","CuKα","","","0.0419","","","0.0502","","","","","1.0859","1.0859","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007887","9.003","0.002","12.643","0.003","5.937","0.001","98.41","0.02","93.13","0.02","97.95","0.02","660.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Pentasodium bis(dihydroxytetraoxotellurium(VI))gold(III) hexadecahydrate","","- Au H36 Na5 O28 Te2 -","- Au H36 Na5 O28 Te2 -","- Au H36 Na5 O28 Te2 -","1","0.5","BM1229","Levason, William; Webster, Michael","Pentasodium Bis[dihydroxytetraoxotellurium(VI)]gold(III) Hexadecahydrate","Acta Crystallographica Section C","1998","54","12","1729","1731","10.1107/S0108270198007604","","","0.71073","MoKα","","0.032","0.031","","","","0.084","","","","","","1.058","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007888","6.2064","0.0015","18.379","0.004","14.943","0.004","90","","96.18","0.02","90","","1694.6","0.7","178","2","178","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimesityl diselenide","","- C18 H22 Se2 -","- C18 H22 Se2 -","- C72 H88 Se8 -","4","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.038","0.0304","","0.0835","0.078","","","","1.042","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007889","15.177","0.003","22.357","0.004","17.653","0.004","90","","90","","90","","5990","2","178","2","178","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","di(2,4,6-triisopropylphenyl)diselenide","","- C30 H46 Se2 -","- C30 H46 Se2 -","- C240 H368 Se16 -","8","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.0844","0.0341","","0.1033","0.0817","","","","0.952","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007890","14.349","0.003","12.298","0.003","15.173","0.003","90","","105.27","0.03","90","","2583","1","220","2","220","2","","","","","","","","4","C 1 2 1","C 2y","5","","Brucinium Fumarate","","- C27 H33 N2 O9.5 -","- C27 H33 N2 O9.5 -","- C108 H132 N8 O38 -","4","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.046","0.038","","","","0.096","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2007891","7.941","0.0016","13.838","0.003","11.37","0.002","90","","111.27","0.03","90","","1164.3","0.5","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Brucinium Maleate","","- C27 H30 N2 O8 -","- C27 H30 N2 O8 -","- C54 H60 N4 O16 -","2","1","BM1243","Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon; Walkinshaw, Malcolm D.","Brucinium Hydrogen Fumarate Sesquihydrate and Brucinium Hydrogen Maleate","Acta Crystallographica Section C","1998","54","12","1948","1951","10.1107/S0108270198010324","","","1.54184","CuKα","","0.074","0.069","","","","0.177","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007892","7.469","0.002","8.106","0.002","18.238","0.004","90","","93.78","0.03","90","","1101.8","0.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dimethyl-pyrido[2,1-b]benzimidazole-4-carbonitrile","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","BM1261","Elgemeie, Galal E. H.; Metwally, Nadia H.; Jones, Peter G.","1,2-Dimethylpyrido[1,2-<i>a</i>]benzimidazole-4-carbonitrile","Acta Crystallographica Section C","1998","54","12","1871","1873","10.1107/S0108270198008221","","","0.71073","MoKα","","0.072","0.049","","","","0.132","","","","","","1.043","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007893","12.519","0.002","12.519","0.002","10.257","0.003","90","","90","","120","","1392.2","0.5","173","2","173","2","","","","","","","","6","P 31","P 31","144","","Polymeric (triphenyltrithiophosphite)chlorocopper(I)","","- C18 H15 Cl Cu P S3 -","- C18 H15 Cl Cu P S3 -","- C54 H45 Cl3 Cu3 P3 S9 -","3","1","BM1265","Jones, Peter G.; Fischer, Axel K.; Frolova, Lilya; Schmutzler, Reinhard","Polymeric Chloro(triphenyl trithiophosphite)copper(I)","Acta Crystallographica Section C","1998","54","12","1842","1844","10.1107/S0108270198008671","","","0.71073","MoKα","","0.072","0.041","","","","0.097","","","","","","1.018","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007894","33.756","0.002","7.391","0.0004","17.087","0.001","90","","118.42","0.001","90","","3749.3","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bromo(hydrido)ethylbis(3,4-dimethylpyridine-N)silicon Bromide","","- C16 H24 Br2 N2 Si -","- C16 H24 Br2 N2 Si -","- C128 H192 Br16 N16 Si8 -","8","1","BM1278","Hensen, Karl; Kettner, Markus; Bolte, Michael","Bromo(ethyl)hydridobis(3,4-dimethylpyridine-<i>N</i>)silicon Bromide at 173K","Acta Crystallographica Section C","1998","54","12","1863","1865","10.1107/S0108270198009925","","","0.71073","MoKα","","0.065","0.038","","0.082","0.072","0.082","","","1.052","","","1.052","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007895","8.2441","0.0003","14.5329","0.0005","8.5294","0.0003","90","","100.777","0.003","90","","1003.89","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-hydroxybenzofuran-2-carboxylate","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","BM1279","Gould, Robert O.; Guest, Martyn F.; Joswig, Jan-Ole; Palmer, Michael H.; Parsons, Simon","Ethyl 3-Hydroxybenzo[<i>b</i>]furan-2-carboxylate","Acta Crystallographica Section C","1998","54","12","1951","1954","10.1107/S0108270198010336","","","1.5418","CuKα","","0.0656","0.0461","","0.1281","0.115","","","","1.051","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007896","13.734","0.002","10.543","0.002","9.83","0.002","90","","90","","90","","1423.4","0.4","298","","298","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Sodium Nickel Polyphosphate","","- Na Ni O9 P3 -","- Na Ni O9 P3 -","- Na8 Ni8 O72 P24 -","8","1","BR1195","Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M.","Sodium Nickel Polyphosphate","Acta Crystallographica Section C","1998","54","12","1746","1747","10.1107/S0108270198006258","","","0.71073","MoKα","","","0.03","","","","0.043","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007897","8.234","0.004","12.781","0.007","7.168","0.002","97.76","0.03","98.36","0.02","85.38","0.04","738.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","Octaaquabromouranium(IV) Tribromide Monohydrate","","- Br4 H18 O9 U -","- Br4 H18 O9 U -","- Br8 H36 O18 U2 -","2","1","BR1209","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Octaaquabromouranium(IV) Tribromide Monohydrate, [UBr(H~2~O)~8~]Br~3~.H~2~O","Acta Crystallographica Section C","1998","54","12","1740","1742","10.1107/S0108270198008233","","","0.71073","MoKα","","0.053","0.051","","0.079","","0.078","","","","","","1.07","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2007898","9.901","0.002","13.314","0.003","9.555","0.002","100.34","0.03","117.81","0.03","69.25","0.03","1041.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[tetrakis(imidazole-N^3^)copper(II)]-μ-[dichromato-O:O]]","","- C12 H16 Cr2 Cu N8 O7 -","- C12 H16 Cr2 Cu N8 O7 -","- C24 H32 Cr4 Cu2 N16 O14 -","2","1","CF1190","Pan, Long; Zheng, Nengwu; Zhou, Xiaoyu; Wu, Yonggang; Wu, Qingsheng; Jin, Xianglin","<i>catena</i>-Poly[[tetrakis(imidazole-<i>N</i>^3^)copper(II)]-μ-(dichromato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","1998","54","12","1802","1804","10.1107/S0108270198006660","","","0.71073","MoKα","","0.06","0.035","","","","0.091","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007899","12.204","0.002","14.957","0.002","6.527","0.001","90","","102.41","0.01","90","","1163.6","0.3","296","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C58 H52 O8 -","2","1","CF1195","Yu , Jianhua; Hu, Yulai; Huang, Qibin; Yu, Kaibei; Yang, Shiyan","7-Methoxy-1-[1-(6-methoxy-2-naphthoyl)ethyl]-2-methyl-2,3-dihydro-1<i>H</i>-cyclopenta[<i>a</i>]naphthalen-3-one","Acta Crystallographica Section C","1998","54","12","2009","2011","10.1107/S0108270198009135","","","0.71073","MoKα","","","0.034","","","","0.069","","","","","","0.997","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007900","4.556","0.002","9.689","0.002","10.752","0.002","91.3","0.02","95.16","0.02","100.71","0.02","464.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Monoprotonated-Orthophenylenediamine Dihydrogenphosphate","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C12 H22 N4 O8 P2 -","2","1","CF1225","Trojette, Basma; Hajem, Amen Allah; Driss, Ahmed; Jouini, Tahar","Monoprotonated <i>o</i>-Phenylenediamine Dihydrogenphosphate","Acta Crystallographica Section C","1998","54","12","1867","1869","10.1107/S0108270198009147","","","0.71069","MoKα","","0.0424","0.032","","0.091","0.0831","","","","1.092","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007901","11.1794","0.0009","18.505","0.002","22.409","0.002","90","","90","","90","","4635.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Tetracyclo-Tri-μ-(N-ethylthiourea)-tris(iodocopper(I)) Monohydrate","","- C18 H50 Cu4 I4 N12 O S6 -","- C18 H48 Cu4 I4 N12 O S6 -","- C72 H192 Cu16 I16 N48 O4 S24 -","4","1","CF1242","Chaveng Pakawatchai; Yupa Thanyasirikul; Tapanee Saepae; Suwaluk Pansook; Hoong-Kun Fun; Kandasamy Chinnakali","Hexakis(μ-<i>N</i>-ethylthiourea-<i>S</i>)tetrakis[iodocopper(I)] Monohydrate","Acta Crystallographica Section C","1998","54","12","1750","1752","10.1107/S0108270198010440","","","0.71073","MoKα","","0.0942","0.0408","","0.0924","0.0783","","","","0.794","0.971","0.971","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007902","13.135","0.003","10.309","0.002","19.363","0.004","90","","99.99","0.03","90","","2582.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 I N8 V -","- C32 H16 I N8 V -","- C128 H64 I4 N32 V4 -","4","1","CF1259","Krzysztof Ejsmont; Ryszard Kubiak","Iodo(phthalocyaninato)vanadium(III)","Acta Crystallographica Section C","1998","54","12","1844","1846","10.1107/S0108270198008105","","","0.71073","MoKα","","0.096","0.047","","","","0.13","","","","","","1.039","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007903","12.556","0.002","7.618","0.001","15.26","0.002","90","","109.76","0.01","90","","1373.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Nitro-4'-(N,N-dimethylamino)azobenzene","(4-dimethylaminophenyl)(2-nitrophenyl)diazene","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","CF1260","Zhang, De-Chun; Ge, Li-Qin; Fei, Zheng-Hao; Zhang, Yan-Qiu; Yu, Kai-Bei","4'-(Dimethylamino)-2-nitroazobenzene","Acta Crystallographica Section C","1998","54","12","1909","1911","10.1107/S0108270198007616","","","0.71073","MoKα","","0.104","0.037","","0.13","0.076","","","","0.748","1.061","1.061","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007904","7.733","0.002","10.648","0.002","10.894","0.002","90","","90.09","0.03","90","","897","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O4 -","- C6 H11 N3 O4 -","- C24 H44 N12 O16 -","4","1","CF1261","Bujak, Maciej; Ejsmont, Krzysztof; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","1,4-Dihydro-1-methyl-4-nitriminopyridine Dihydrate","Acta Crystallographica Section C","1998","54","12","1945","1948","10.1107/S0108270198008348","","","0.71073","MoKα","","0.0506","0.0377","","","","0.115","","","","","","1.096","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007905","28.851","0.005","11.615","0.002","19.992","0.004","90","","127.42","0.01","90","","5320.7","1.8","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","7,11-(μ-thiobenzoate-S:O)-7,10-di(triphenylphosphine-P)-8,9-di-μH- 7-platina-nido-undecaborane-chloroform (1/1.5)","","- C44.5 H45.5 B10 Cl4.5 O P2 Pt S -","- C44.5 H44.5 B10 Cl4.5 O P2 Pt S -","- C178 H178 B40 Cl18 O4 P8 Pt4 S4 -","4","1","CF1268","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Jie Sun; Pei-Ju Zheng","An Exopolyhedral Cyclized Platinaundecaborane: [(PPh~3~)(PhCOS)PtB~10~H~9~(PPh~3~)].1.5CHCl~3~","Acta Crystallographica Section C","1998","54","12","1835","1837","10.1107/S0108270198010452","","","0.71069","MoKα","","","0.0369","","","","0.1041","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007906","5.872","0.002","10.529","0.002","19.096","0.005","105.01","0.02","93.85","0.02","105","0.02","1090","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Methyl 6-Chloro-9-purine-9-acetate","ethyl 6-chloropurine-9-acetate","","- C9 H9 Cl N4 O2 -","- C9 H9 Cl N4 O2 -","- C36 H36 Cl4 N16 O8 -","4","2","CF1279","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","9-(Carboxymethyl)-6-chloropurine Ethyl Ester","Acta Crystallographica Section C","1998","54","12","1907","1909","10.1107/S0108270198012360","","","1.54178","CuKα","","0.087","0.078","","0.234","0.226","","","","1.099","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007907","7.185","0.001","15.46","0.001","10.254","0.001","90","","97.41","0.007","90","","1129.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","","- C24 H31 Br O4 -","- C24 H31 Br O4 -","- C48 H62 Br2 O8 -","2","1","DA1005","Soriano-García, Manuel; Hernández-Ortega, Simón; Bratoeff, Eugene; Flores, Gregoria; Ramírez, Elena","17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione","Acta Crystallographica Section C","1998","54","12","2022","2024","10.1107/S010827019800211X","","","0.71073","MoKα","","0.111","0.048","","0.11","","0.095","","","1.001","","","1.001","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007908","8.777","0.002","12.557","0.002","27.324","0.005","90","","90","","90","","3011.5","1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-4-hydroxy-6-6-dimethyl-1,5,7-tri(3-methyl-2-butenyl)bicyclo[3.3.1] non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","DA1009","Santos, Marcelo H.; Speziali, Nivaldo L.; Nagem, Tanus J.; Oliveira, Tânia T.","Epiclusianone: a New Natural Product Derivative of Bicyclo[3.3.1]nonane-2,4,9-trione","Acta Crystallographica Section C","1998","54","12","1990","1992","10.1107/S0108270198006477","","","0.71073","MoKα","","","0.0648","","","0.0585","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007909","9.4915","0.001","10.3342","0.0008","9.193","0.0009","89.607","0.007","90.489","0.008","93.555","0.008","899.93","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(dihydroxophosphato) [(1SR,4SR,8RS,11RS)-1,4,8,11-tetraazacyclotetradecane-κ^4^N]nickel(II)","","- C10 H28 N4 Ni O8 P2 -","- C10 H28 N4 Ni O8 P2 -","- C20 H56 N8 Ni2 O16 P4 -","2","1","DA1017","Namouchi Cherni, Saoussen; Driss, Ahmed; El Maaoui, Mohamed; Jouini, Tahar","Bis(dihydrogen phosphato-<i>O</i>)[(1<i>SR</i>,4<i>SR</i>,8<i>RS</i>,11<i>RS</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section C","1998","54","12","1768","1770","10.1107/S0108270198008245","","","0.71069","MoKα","","0.0269","0.0218","","0.057","0.0542","","","","1.066","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007910","10.571","0.003","6.3565","0.0015","24.36","0.01","90","","100.37","0.04","90","","1610.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-aza-1-tertbuthyl-4-methyl-9-methoxy-1,2,3,4-tetrahydro-fluoren-2-one.","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","DA1018","García-Granda, Santiago; Santiago-García, Rafael; Sanni, S. Bamidele; Suárez-Sobrino, Angel; Santamaría, Javier","1-<i>tert</i>-Butyl-9-methoxy-4-methyl-1,2,3,4-tetrahydro-2-azafluoren-3-one, a Novel Fluorenone","Acta Crystallographica Section C","1998","54","12","1961","1963","10.1107/S0108270198008257","","","0.71073","MoKα","","0.172","0.048","","","","0.145","","","","","","0.979","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007911","16.476","0.001","16.476","0.001","16.476","0.001","90","","90","","90","","4472.6","0.5","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","tris(methylacetylacetonato)cobalt(III)","Tris(O,O'-4-methyl-2,4-pentanedionato)cobalt(III)","","- C18 H29.3 Co O7.65 -","- C18 H27 Co O7.657 -","- C144 H216 Co8 O61.256 -","8","0.333333","DA1026","Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.","Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section C","1998","54","12","1807","1809","10.1107/S0108270198008592","","","1.5418","CuKα","","0.069","0.051","","0.158","0.143","","","","1.138","1.212","1.212","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007912","8.0403","0.0006","15.1514","0.0011","16.4575","0.001","108.076","0.006","90.971","0.006","96.484","0.007","1890.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(methylacetylacetonate)cobalt(III)","tris(3-methyl-2,4-pentandionato)cobalt(III)","","- C18 H27 Co O6 -","- C18 H27 Co O6 -","- C72 H108 Co4 O24 -","4","2","DA1026","Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.","Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)","Acta Crystallographica Section C","1998","54","12","1807","1809","10.1107/S0108270198008592","","","1.5418","CuKα","","0.17","0.083","","0.239","0.185","","","","1.035","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007913","6.6583","0.0005","9.4161","0.0007","9.5481","0.0007","96.087","0.002","103.348","0.002","90.026","0.001","578.97","0.07","190","","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H19 Cl2 Cu N3 -","- C7 H19 Cl2 Cu N3 -","- C14 H38 Cl4 Cu2 N6 -","2","1","DA1028","McCasland, Anne K.; Alcock, Nathaniel W.; Busch, Daryle H.","[<i>N</i>-(3-Aminopropyl)-<i>N</i>-methyl-1,3-propanediamine-κ^3^<i>N</i>]dichlorocopper(II)","Acta Crystallographica Section C","1998","54","12","1837","1839","10.1107/S0108270198009731","","","0.71073","MoKα","","0.0599","0.0448","","0.0967","0.094","","","","0.888","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007914","7.123","0.001","10.149","0.001","10.223","0.002","103.33","0.01","109.79","0.02","92.43","0.02","670.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Piromidic acid","8-Ethyl-5,8-dihydro-5-oxo-2-(-1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6- carboxylic acid","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C28 H32 N8 O6 -","2","1","DE1074","H. Song.; H. S. Shin; K. I. Park.; S. I. Cho","The Antifungal Agent 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic Acid (Piromidic Acid)","Acta Crystallographica Section C","1998","54","12","1915","1917","10.1107/S0108270198007628","","","0.71069","MoKα","","0.109","0.048","","0.144","0.109","","","","1.056","1.116","1.116","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007915","16.734","0.005","7.83","0.004","12.028","0.005","90","","119.12","0.03","90","","1376.8","1.1","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","6-Propylcytidine","1-(β-D-ribofuranosyl)-6-Propylcytosine","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C48 H76 N12 O20 -","4","1","FG1416","Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof","1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine","Acta Crystallographica Section C","1998","54","12","1959","1961","10.1107/S0108270198008683","","","0.71073","MolybdenumKα","","0.034","0.029","","0.037","0.036","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007916","12.0267","0.0002","11.3835","0.0002","14.5357","0.0002","90","","90","","90","","1990.02","0.06","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene","","- C22 H22 O6 S2 -","- C22 H22 O6 S2 -","- C88 H88 O24 S8 -","4","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.041","0.035","","","","0.099","","","","","","1.074","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007917","29.3123","0.0001","29.3123","0.0001","6.8706","0.0001","90","","90","","120","","5112.4","0.08","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene tetrahydrofuran solvate","","- C23.33 H24.67 O6.33 S2 -","- C22 H22 O6 S2 -","- C198 H198 O54 S18 -","9","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.04","0.035","","","","0.096","","","","","","1.06","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007918","9.481","0.0009","19.836","0.0019","13.178","0.0014","90","","90","","90","","2478.3","0.4","296","","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-bis(2-pyridylformimidoyl)hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","FG1463","Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R.","1,2-Bis(2-pyridylformimidoyl)hydrazine","Acta Crystallographica Section C","1998","54","12","1923","1925","10.1107/S0108270198008014","","","0.71073","MoKα","","0.068","0.036","","","","0.135","","","","","","0.951","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007919","7.436","0.002","8.438","0.002","19.607","0.003","90","","90","","90","","1230.2","0.5","287","2","287","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methyl-4-methylamino- (1H)-pyrimidin-2-one","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","FG1466","Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson","<i>N</i>^4^,5-Dimethyl-2'-deoxycytidine","Acta Crystallographica Section C","1998","54","12","1987","1990","10.1107/S0108270198008026","","","0.7093","MolybdenumKα","","0.0565","0.0364","","","","0.1064","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007920","7.5811","0.0006","11.6974","0.0008","8.78","0.0006","90","","97.129","0.007","90","","772.58","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,4-Dioxane dichloro-germanium","","- C4 H8 Cl2 Ge O2 -","- C4 H8 Cl2 Ge O2 -","- C16 H32 Cl8 Ge4 O8 -","4","0.5","FG1469","Denk, Michael K.; Khan, Maryam; Lough, Alan J.; Shuchi, Kumra","Redetermination of the Germanium Dichloride Complex with 1,4-Dioxane at 173K","Acta Crystallographica Section C","1998","54","12","1830","1832","10.1107/S0108270198009548","","","0.71073","MoKα","","0.0238","0.0216","","0.0533","0.0527","","","","1.075","1.1","1.1","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007921","10.258","0.002","6.9198","0.0009","17.66","0.004","90","","90.65","0.02","90","","1253.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-[bis(3-hydroxypropionato)diaquoyttrium(III)] Bromide","","- C6 H14 Br O8 Y -","- C6 H14 Br O8 Y -","- C24 H56 Br4 O32 Y4 -","4","1","FG1475","Mague, Joel T.; Apblett, Allen W.; Todorova, Galina","Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride","Acta Crystallographica Section C","1998","54","12","1784","1787","10.1107/S010827019800955X","","","0.71073","MoKα","","0.0821","0.0499","","0.1513","","0.1356","","","1.052","","","1.086","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007922","7.564","0.002","11.619","0.002","14.361","0.003","90","","90","","90","","1262.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-[(3-hydroxypropionato)pentaaquoyttrium(III)] Bromide Chloride","","- C3 H15 Br Cl O8 Y -","- C3 H13 Br Cl O8 Y -","- C12 H52 Br4 Cl4 O32 Y4 -","4","1","FG1475","Mague, Joel T.; Apblett, Allen W.; Todorova, Galina","Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride","Acta Crystallographica Section C","1998","54","12","1784","1787","10.1107/S010827019800955X","","","0.71073","MoKα","","0.0496","0.0313","","0.096","","0.0896","","","1.089","","","1.118","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007923","7.3756","0.0001","21.9934","0.0002","9.6991","0.0001","90","","108.843","0.001","90","","1489.02","0.03","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cr N O3 -","- C16 H17 Cr N O3 -","- C64 H68 Cr4 N4 O12 -","4","1","FG1479","Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue","<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)","Acta Crystallographica Section C","1998","54","12","1825","1827","10.1107/S0108270198009561","","","0.71073","MoKα","","0.04","0.032","","0.082","0.078","","","","1.081","1.121","1.121","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007924","9.5188","0.0001","10.3406","0.0001","14.6223","0.0002","90","","91.379","0.001","90","","1438.86","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cr N O3 -","- C16 H17 Cr N O3 -","- C64 H68 Cr4 N4 O12 -","4","1","FG1479","Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue","<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)","Acta Crystallographica Section C","1998","54","12","1825","1827","10.1107/S0108270198009561","","","0.71073","MoKα","","0.039","0.032","","0.088","0.082","","","","1.03","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007925","13.4327","0.0002","13.1953","0.0006","16.7801","0.0006","90","","90","","90","","2974.25","0.18","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Co N4 O4 -","- C10 H19 Co N4 O4 -","- C80 H152 Co8 N32 O32 -","8","1","FG1480","Mareque Rivas, Juan C.; Brammer, Lee","N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)","Acta Crystallographica Section C","1998","54","12","1799","1802","10.1107/S0108270198008956","","","0.71073","MoKα","","0.072","0.042","","0.055","0.05","","","","1.44","1.576","1.576","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007926","7.9543","0.0005","8.962","0.001","9.4344","0.0009","90.36","0.009","105.946","0.006","95.091","0.007","643.78","0.1","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H13 Br3 O Te -","- C7 H13 Br3 O Te -","- C14 H26 Br6 O2 Te2 -","2","1","FG1481","Zukerman-Schpector, J.; Stefani, Hélio A.; Silva, Diogo de O.; Braga, Antonio L.; Dornelles, Luciano; Silveira, Claudio da C.; Caracelli, I.","Dibromo[(<i>Z</i>)-2-bromo-2-(hydroxymethyl)vinyl](<i>n</i>-butyl)tellurium(IV)","Acta Crystallographica Section C","1998","54","12","2007","2009","10.1107/S0108270198009573","","","0.71073","MoKα","","0.0637","0.0325","","0.089","","0.0783","","","1.051","","","1.085","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007927","8.7367","0.0005","10.2118","0.0005","8.3386","0.0008","111.508","0.006","95.216","0.006","87.374","0.004","689.22","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(1-phenyl-1,3-butadien-2-yl)benzoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","FG1488","Mague, Joel T.; Hua, Xiao-Gang; Li, Chao-Jun","An Unexpected Product of an Indium-Mediated Carbon‒Carbon Coupling: 2-(1-Phenyl-1,3-butadien-2-yl)benzoic Acid","Acta Crystallographica Section C","1998","54","12","1934","1936","10.1107/S0108270198010117","","","0.71073","MoKα","","0.073","0.038","","0.113","","0.098","","","1.03","","","1.098","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007928","9.1055","0.0008","13.124","0.002","13.796","0.003","90","","92.429","0.011","90","","1647.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 S8 -","- C14 H10 S8 -","- C56 H40 S32 -","4","1","FG1493","Mézière, Cécile; Sallé, Marc; Fourmigué, Marc","2'-(1,3-Dithiolan-2-ylidene)-4'-(1,3-dithiol-2-ylidene)spiro[1,3-dithiole-2,5'-(4'<i>H</i>-5',6'-dihydro-1',3'-dithiapentalene)], the Self-Condensation Product of an Extended Tetrathiafulvalene Derivative","Acta Crystallographica Section C","1998","54","12","2005","2007","10.1107/S0108270198009809","","","0.71073","MoKα","","0.14","0.04","","0.108","","0.086","","","1.013","","","1.116","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007929","7.617","0.003","15.433","0.006","13.652","0.005","90","","90.112","0.01","90","","1604.8","1.1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,5'-bis(acetylamino)-2,2'-dihydroxybiphenyl monohydrate","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","0.5","FG1496","Clegg, William; Teat, Simon J.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Shepherd, Evelyn A.; Sherwood, John N.; Vrcelj, Ranko M.; Shepherd, Evelyn A.","An Oxidatively Coupled Dimer of Paracetamol","Acta Crystallographica Section C","1998","54","12","1881","1882","10.1107/S0108270198009445","","","0.6874","synchrotron","","0.078","0.062","","","","0.158","","","","","","0.933","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007930","7.5204","0.001","17.061","0.002","12.2921","0.0017","90","","92.187","0.004","90","","1576","0.4","160","2","160","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.05","0.044","","","","0.111","","","","","","1.088","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007931","11.6469","0.0014","10.9779","0.0014","13.5215","0.0017","90","","112.482","0.003","90","","1597.4","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.07","0.043","","","","0.109","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007932","9.944","0.003","11.116","0.003","14.491","0.004","90","","94.9","0.015","90","","1595.9","0.8","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-methylpyridinium bis(pyrocatecholato-O,O')borate","","- C18 H16 B N O4 -","- C18 H16 B N O4 -","- C72 H64 B4 N4 O16 -","4","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.067","0.042","","","","0.103","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007933","16.12","0.002","15.959","0.002","14.9294","0.0019","90","","90","","90","","3840.7","0.8","160","2","160","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate","","- C24 H17 B N2 O4 -","- C24 H17 B N2 O4 -","- C192 H136 B8 N16 O32 -","8","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.095","0.055","","","","0.177","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007934","10.3594","0.0011","11.0153","0.0011","12.0742","0.0013","96.361","0.002","107.932","0.002","115.848","0.002","1130.4","0.2","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate dichloromethane solvate","","- C25 H19 B Cl2 N2 O4 -","- C25 H19 B Cl2 N2 O4 -","- C50 H38 B2 Cl4 N4 O8 -","2","1","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.06","0.043","","","","0.1","","","","","","1.095","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007935","22.417","0.003","8.439","0.0009","17.4208","0.0019","90","","110.477","0.003","90","","3087.4","0.6","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trimethylphosphonium bis(pyrocatecholato-O,O')borate","","- C15 H18 B O4 P -","- C15 H18 B O4 P -","- C120 H144 B8 O32 P8 -","8","2","FG1497","Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul","Salts of the Bis(catecholato)borate Anion with Organic Cations","Acta Crystallographica Section C","1998","54","12","1875","1880","10.1107/S0108270198009810","","","0.71073","MoKα","","0.085","0.049","","","","0.115","","","","","","1.033","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007936","7.6299","0.0008","7.5234","0.0009","13.6917","0.0008","90","","93.28","0.007","90","","784.65","0.13","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","quinoline-4-carboxylic acid","","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","FG1498","Dobson, Allison J.; Gerkin, Roger E.","Quinoline-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","12","1883","1885","10.1107/S0108270198009585","","","0.71073","MoKα","","","0.036","","","0.085","","","","","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007937","11.67","0.003","9.78","0.002","17.777","0.005","90","","90.37","0.02","90","","2028.9","0.9","170","1","170","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tripelennamine tetrachlorocobaltate(II)","N-Benzyl-N',N'-dimethyl-N-(2-pyridinio)-1,2-ethanediammonium tetrachlorocobaltate(II)","","- C16 H23 Cl4 Co N3 -","- C16 H23 Cl4 Co N3 -","- C64 H92 Cl16 Co4 N12 -","4","1","FG1505","Parvez, Masood","Tripelennamine Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1998","54","12","1748","1750","10.1107/S0108270198009457","","","0.71069","MoKα","","0.177","0.047","","","","0.161","","","","","","0.98","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007938","6.978","0.0001","17.156","0.003","13.996","0.003","90","","90","","90","","1675.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Maleate)(aqua)(4,4'dimethyl-2,2'-bipyridine) copper(II) dihydrate","","- C15 H20 Cu N2 O7 -","- C15 H20 Cu N2 O7 -","- C60 H80 Cu4 N8 O28 -","4","0.5","FR1117","Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo","Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate","Acta Crystallographica Section C","1998","54","12","1848","1850","10.1107/S0108270198008178","","","0.71073","MoKα","","0.13","0.041","","","0.102","0.115","","","","","","0.956","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007939","12.6472","0.0007","11.3613","0.0006","13.6908","0.0007","90","","110.363","0.001","90","","1844.28","0.17","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce2 H40 N8 O36 S8 -","- Ce2 H40 N8 O36 S8 -","- Ce4 H80 N16 O72 S16 -","2","0.5","FR1130","Yongkui Shan; Songping D. Huang","(NH~4~)~8~[Ce~2~(SO~4~)~8~] .4H~2~O","Acta Crystallographica Section C","1998","54","12","1744","1745","10.1107/S0108270198007057","","","0.7107","MoKα","","0.027","0.022","","0.035","","0.034","","","0.942","","","0.973","","","","has coordinates","187340","2020-10-21","18:00:00",""
"2007940","10.2266","0.0009","10.7507","0.0011","11.0355","0.0008","64.4","0.007","70.297","0.007","78.614","0.008","1028.2","0.17","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Cd Cu2 N4 O10 -","- C42 H46 Cd Cu2 N4 O10 -","- C42 H46 Cd Cu2 N4 O10 -","1","0.5","FR1131","Ercan, Filiz; Ülkü, Dinçer; Atakol, Orhan; Dinçer, F. Nazlι","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}cadmium(II) Dioxane Solvate","Acta Crystallographica Section C","1998","54","12","1787","1790","10.1107/S010827019800835X","","","0.71073","MoKα","","","0.033","","","0.042","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007941","9.069","0.002","17.009","0.003","15.104","0.002","90","","99.47","0.02","90","","2298.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-diethoxy-1-(1,10-phenanthroline-N,N')-1-ruthena-closo-undecaborane","","- C16 H26 B10 N2 O2 Ru -","- C16 H26 B10 N2 O2 Ru -","- C64 H104 B40 N8 O8 Ru4 -","4","1","FR1135","Yong Nie; Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jie Sun; Ruo-Shui Jin; Pei-Ju Zheng","A 1,10-Phenanthroline-Ligated <i>closo</i>-Ruthenaundecaborane: [(C~12~H~8~N~2~)RuB~10~H~8~(OC~2~H~5~)~2~]","Acta Crystallographica Section C","1998","54","12","1813","1815","10.1107/S0108270198007938","","","0.71069","MoKα","","","0.029","","","","0.086","","","","","","1.009","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007942","8.4414","0.0005","7.7207","0.0005","19.412","0.0018","90","","90.342","0.006","90","","1265.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 I2 N4 Pt -","- C8 H10 I2 N4 Pt -","- C32 H40 I8 N16 Pt4 -","4","1","FR1137","Casas, Jose S.; Castiñeiras, Alfonso; Parajó, Yolanda; Sordo, José; Varela, José M.","(1,1'-Dimethyl-2,2'-biimidazole-<i>N</i>^3^,<i>N</i>^3'^)diiodoplatinum(II)","Acta Crystallographica Section C","1998","54","12","1777","1779","10.1107/S0108270198009950","","","0.71073","MoKα","","0.06","0.027","","","","0.062","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007943","9.299","0.0014","18.698","0.001","9.0381","0.0016","90","","91.75","0.03","90","","1570.7","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theobromine","3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C56 H64 N32 O16 -","8","2","FR1140","Ford, Kimberly A.; Ebisuzaki, Yukiko; Boyle, Paul D.","Methylxanthines. II. Anhydrous Theobromine","Acta Crystallographica Section C","1998","54","12","1980","1983","10.1107/S0108270198009469","","","0.71073","MolybdenumKα","","","0.067","","0.074","0.074","","","","","1.58","1.58","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007944","18.955","0.002","12.143","0.001","18.773","0.002","90","","103.739","0.006","90","","4197.4","0.7","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4'-dimethylbiphenyl-2,2'-dicarboxylic acid","","","- C16 H14 O4 -","- C16 H14 O4 -","- C192 H168 O48 -","12","1.5","FR1147","Gerkin, Roger E.","Hydrogen-Bonded Trimers in 4,4'-Dimethylbiphenyl-2,2'-dicarboxylic Acid","Acta Crystallographica Section C","1998","54","12","1887","1889","10.1107/S0108270198009597","","","0.71073","MoKα","","","0.057","","","0.094","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007945","10.041","0.003","12.127","0.003","7.039","0.002","92.08","0.02","90.67","0.03","97.72","0.02","848.7","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Pentasodium dibismuth arsenate bis(diarsenate)","","- As5 Bi2 Na5 O18 -","- As5 Bi2 Na5 O18 -","- As10 Bi4 Na10 O36 -","2","1","GS1000","Boughzala, Habib; Jouini, Tahar","Na~5~Bi~2~(AsO~4~)(As~2~O~7~)~2~","Acta Crystallographica Section C","1998","54","12","1731","1733","10.1107/S010827019800674X","","","0.71069","MoKα","","0.0491","0.0285","","0.0837","0.0645","","","","1.145","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007946","14.07","0.002","11.328","0.002","26.375","0.003","90","","101.458","0.009","90","","4120","1.1","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","vanadyl mésopentafluorophenylporphyrine","[(5,10,15,20-tetrapentafluorophenylporphyrinato)-oxo-vanadium(IV)] dichloromethane solvate","","- C45 H10 Cl2 F20 N4 O V -","- C45 H10 Cl2 F20 N4 O V -","- C180 H40 Cl8 F80 N16 O4 V4 -","4","1","GS1004","Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond","Vanadyl Tetrakis(pentafluorophenyl)porphyrin Dichloromethane Solvate","Acta Crystallographica Section C","1998","54","12","1781","1784","10.1107/S0108270198008038","","","0.71073","MoKα","","0.084","0.046","","0.105","","0.072","","","2.108","","","1.479","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007947","9.444","0.001","10.676","0.001","11.408","0.001","82.44","0.001","85.41","0.001","67.95","0.001","1056.22","0.18","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 N10 -","- C24 H14 N10 -","- C48 H28 N20 -","2","1","GS1005","Mernari, B.; El Azhar, M.; El Attari, H.; Lagrenée, M.; Pierrot, M.","Complexe de Tétracyanoquinodiméthane et 4-Amino-3,5-bis(2-pyridyle)-1,2,4-triazole (TCNQ:abpt)","Acta Crystallographica Section C","1998","54","12","1983","1986","10.1107/S0108270198008427","","","0.71073","MoKα","","","0.057","","","0.068","","","","","1.211","1.211","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007948","6.721","0.002","12.278","0.004","11.096","0.002","90","","93.87","0.02","90","","913.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Dihydro Naphto[2,3-b]1,4-Dioxine","","- C12 H10 O2 -","- C12 H9.16 O2 -","- C48 H36.64 O8 -","4","1","GS1007","Namouchi Cherni, Saoussen; Haloui, Asma; Driss, Ahmed; Meganem, Faouzi","2,3-Dihydronaphto[2,3-<i>b</i>][1,4]dioxine","Acta Crystallographica Section C","1998","54","12","1865","1867","10.1107/S0108270198009470","","","0.71069","MoKα","","0.072","0.0399","","0.1275","0.1076","","","","1.052","1.137","1.137","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007949","7.449","0.003","10.724","0.004","17.733","0.01","90","","90","","90","","1416.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,7,7,12-Tetramethyl-2-oxa-tricyclo[6.4.0.0 ^4,9^]dodecane-3(R),12(R)-diol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","GS1013","Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed","(3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène","Acta Crystallographica Section C","1998","54","12","1964","1965","10.1107/S0108270198009317","","","0.7109","MoKα","","0.0533","0.0403","","0.1325","0.1112","","","","1.09","1.086","1.086","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007950","13.3229","0.0008","15.9278","0.0013","32.613","0.002","90","","90","","90","","6920.6","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O4 Si3 -","- C27 H46.5 N5 O4 Si3 -","- C216 H372 N40 O32 Si24 -","8","2","HA1212","Rolf Buff; Helen Stoeckli-Evans; Jürg Hunziker","2'-Deoxy-3',5'-<i>O</i>-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-2'-<i>C</i>-(2-trimethylsilylethynyl)-<small>D</small>-adenosine","Acta Crystallographica Section C","1998","54","12","1860","1862","10.1107/S0108270198008117","","","0.71073","MoKα","","0.0652","0.0363","","","","0.0779","","","","","","0.828","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007951","9.215","0.005","9.607","0.008","10.575","0.005","113.24","0.04","91.76","0.03","90.84","0.05","859.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2,3-butanedione dioximato)(cyclopentyl)cobalt(III)","","- C13 H25 Co N4 O5 -","- C13 H25 Co N4 O5 -","- C26 H50 Co2 N8 O10 -","2","1","HA1217","Chen, Ying; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang","Aquabis(2,3-butanedione dioximato-<i>N</i>,<i>N</i>')(cyclopentyl)cobalt(III)","Acta Crystallographica Section C","1998","54","12","1823","1825","10.1107/S0108270198009068","","","0.71073","MoKα","","0.083","0.068","","0.157","0.15","","","","0.954","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007952","11.532","0.0002","11.2967","0.0002","10.3406","0.0002","90","","96.312","0.001","90","","1338.94","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4,4a,4b,5,6,7,8,8a,9a-Decahydro-8,8a-epoxy-1,4-methano-7-methyl-5- nitro fluoren-9(9H)-one","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","HA1220","fun, Hoong-Kun; Chinnakali, Kandasamy; Hazra, Nirmal Kumar; Mal, Dipakranjan; Nigam, Gur Dayal; Razak, Ibrahim Abdul","1,9a-Epoxy-1,2,3,4,4a,4b,5,8,8a,9a-decahydro-2-methyl-4-nitro-5,8-methano-9<i>H</i>-fluoren-9-one","Acta Crystallographica Section C","1998","54","12","1925","1927","10.1107/S0108270198007549","","","0.71073","MoKα","","0.066","0.048","","0.132","0.119","","","","1.054","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007953","18.155","0.005","6.871","0.002","11.077","0.003","90","","110.96","0.02","90","","1290.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Neocuproine dihydrate","2,9-Dimethyl-1,10-phenanthroline dihydrate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","HA1227","Sergio Baggio; Ricardo Baggio; Alvaro W. Mombrú","2,9-Dimethyl-1,10-phenanthroline Dihydrate","Acta Crystallographica Section C","1998","54","12","1900","1902","10.1107/S0108270198009743","","","0.71073","MoKα","","0.069","0.047","","","","0.139","","","","","","1.01","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007954","15.081","0.001","15.081","0.001","16.979","0.002","90","","90","","90","","3861.6","0.6","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Bis[cadmium(en)3]-tetraiodocadmat-diiodid","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","","- C12 H48 Cd3 I6 N12 -","- C12 H48 Cd3 I6 N12 -","- C48 H192 Cd12 I24 N48 -","4","0.25","JZ1291","Wieczorrek, Carsten; Tebbe, Karl-Friedrich","Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid","Acta Crystallographica Section C","1998","54","12","1804","1807","10.1107/S0108270198007859","","","0.71073","MoKα","","0.029","0.021","","0.033","","0.033","","","0.966","","","1.08","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007955","9.952","0.003","14.687","0.002","11.599","0.005","90","","90","","90","","1695.4","0.9","293","2","293","2","","","","","","","","3","P n a m","-P 2c 2n","62","Cesium-zinc-iodide","Tricesium-zinc-pentaiodide","","- Cs3 I5 Zn -","- Cs3 I5 Zn -","- Cs12 I20 Zn4 -","4","0.5","JZ1293","Friese, K.; Madariaga, G.; Breczewski, T.","Tricaesium Tetraiodozincate(II) Iodide, Cs~3~ZnI~5~","Acta Crystallographica Section C","1998","54","12","1737","1739","10.1107/S0108270198008361","","","0.71073","MoKα","","0.056","0.051","","0.136","0.1312","","","","1.106","1.127","1.127","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007956","13.137","0.005","9.405","0.005","12.416","0.008","90","","96.72","0.04","90","","1523.5","1.4","126","2","126","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetrabutylbacteriochlorin","","- C36 H50 N4 -","- C36 H50 N4 -","- C72 H100 N8 -","2","0.5","JZ1301","Senge, Mathias O.; Runge, Steffen","Structure and Conformation of Photosynthetic Pigments and Related Compounds. XI. 5,10,15,20-Tetrabutylbacteriochlorin","Acta Crystallographica Section C","1998","54","12","1917","1919","10.1107/S0108270198008749","","","0.71073","MoKα","","0.091","0.056","","","","0.141","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007957","11.483","0.002","20.709","0.004","15.652","0.003","90","","118.71","0.01","90","","3264.5","1.1","95","2","95","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bis(trichlorophosphine)iminium Hexachlorophosphate","Trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)hexachlorophosphate","","- Cl12 N P3 -","- Cl12 N P3 -","- Cl96 N8 P24 -","8","2","JZ1304","Belaj, Ferdinand","Bis(trichlorophosphine)iminium Hexachlorophosphate","Acta Crystallographica Section C","1998","54","12","1735","1737","10.1107/S0108270198009706","","","0.71069","MoKα","","0.0539","0.0392","","","","0.0919","","","","","","1.115","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007958","7.1135","0.0007","16.1388","0.0016","10.9876","0.001","90","","99.439","0.011","90","","1244.3","0.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Pyrazine-N:N'-bis[aqua(N-salicylideneglycinato-O,N,O')copper(II)] dihydrate","","- C22 H26 Cu2 N4 O10 -","- C22 H26 Cu2 N4 O10 -","- C44 H52 Cu4 N8 O20 -","2","0.5","JZ1309","Warda, Salam A.","μ-Pyrazine-<i>N</i>:<i>N</i>'-bis[aqua(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)] Dihydrate","Acta Crystallographica Section C","1998","54","12","1756","1758","10.1107/S0108270198008440","","","0.71073","MoKα","","","0.029","","","","0.073","","","","","","0.972","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007959","13.6203","0.0008","10.8747","0.0004","9.9647","0.0003","90","","93.774","0.004","90","","1472.74","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(2-methylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)","","- C15 H16 Cu N2 O4 -","- C15 H16 Cu N2 O4 -","- C60 H64 Cu4 N8 O16 -","4","1","JZ1310","Warda, Salam A.","Aqua(2-methylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1998","54","12","1754","1755","10.1107/S0108270198009238","","","1.54178","CuKα","","","0.0465","","","","0.1123","","","","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007960","22.112","0.012","11.091","0.008","15.208","0.01","90","","120.88","0.05","90","","3201","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(Di-n-butylstanio)-bis(thio-2-phenylquinazolin)","","- C36 H36 N4 S2 Sn -","- C36 H36 N4 S2 Sn -","- C144 H144 N16 S8 Sn4 -","4","0.5","KA1265","Viktor Vrábel; Drahomír Oktavec; Július Sivý; Ivan Skačani","Di-<i>n</i>-butylbis(2-phenylquinazoline-4-thiolato-<i>N</i>^3^,<i>S</i>)tin(IV)","Acta Crystallographica Section C","1998","54","12","1790","1791","10.1107/S0108270198007574","","","0.71069","MoKα","","0.112","0.043","","0.07","0.063","","","","0.822","1.043","1.043","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007961","8.595","0.002","10.449","0.002","11.243","0.002","68.96","0.03","81.14","0.03","66.9","0.03","866.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tetraammonium disodium octacosaoxo(dimolybdo)octavanadate decahydrate","","- H36 Mo2 N4 Na2 O38 V8 -","- Mo2.02 N4 Na2 O38 V7.98 -","- Mo2.02 N4 Na2 O38 V7.98 -","1","0.5","KA1273","Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing","(NH~4~)~4~Na~2~[Mo~2~V^IV^~2~V^V^~6~O~28~].10H~2~O","Acta Crystallographica Section C","1998","54","12","1733","1735","10.1107/S0108270198008853","","","0.71073","MoKα","","0.0514","0.0464","","0.1507","0.1473","","","","1.065","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007962","8.291","0.003","11.303","0.006","13.967","0.005","90.12","0.04","98.17","0.03","111.83","0.03","1200.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-N,N')(isothiocyanato-N)copper(II) Tricyanomethanide","","- C25 H16 Cu N8 S -","- C25 H16 Cu N8 S -","- C50 H32 Cu2 N16 S2 -","2","1","KA1277","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isothiocyanato-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1998","54","12","1760","1763","10.1107/S0108270198007963","","","0.71073","MoKα","","0.112","0.033","","0.098","","0.078","","","0.645","","","0.74","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007963","6.416","0.003","10.109","0.004","10.2","0.004","109.8","0.04","103.93","0.04","95.95","0.03","591.6","0.5","150","2","150","2","","","","","","","","5","P 1","P 1","1","","tris[tris{(2-hydroxymethyl)methyl}ammonium] D-3-phosphoglycerate","","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","- C15 H40 N3 O16 P -","1","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.0427","0.0313","","0.0887","0.082","","","","1.128","1.117","1.117","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007964","11.501","0.009","9.122","0.007","13.859","0.012","90","","99.22","0.06","90","","1435","2","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(cyclohexylammonium) D-3-phosphoglycerate ethanol","","- C23 H52 N3 O8 P -","- C23 H52 N3 O8 P -","- C46 H104 N6 O16 P2 -","2","1","KA1281","Jerzykiewicz, Lucjan B.; Lis, Tadeusz","Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K","Acta Crystallographica Section C","1998","54","12","2015","2019","10.1107/S0108270198007732","","","0.71073","MoKα","","0.1003","0.0514","","0.1432","0.1253","","","","1.052","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007965","8.599","0.002","11.992","0.002","14.844","0.004","90","","90","","90","","1530.7","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0427","0.0231","","","","0.062","","","","","","0.973","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007966","8.541","0.002","11.873","0.002","14.83","0.003","90","","90","","90","","1503.9","0.5","85","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylammonium Pentachloroantimonate (III)","","- C4 H16 Cl5 N2 Sb -","- C4 H16 Cl5 N2 Sb -","- C16 H64 Cl20 N8 Sb4 -","4","0.5","KA1283","Bujak, Maciej; Zaleski, Jacek","Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^","Acta Crystallographica Section C","1998","54","12","1773","1777","10.1107/S0108270198008865","","","0.71073","MoKα","","0.0357","0.0278","","","","0.055","","","","","","1.069","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007967","20.118","0.004","8.358","0.002","23.444","0.005","90","","114.02","0.03","90","","3600.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{Methyl[2-cyano-2-(hydroxyimino)]ethanimidate}-bipyridine- nitrosodicyanomethanidecopper(II)","","- C17 H12 Cu N8 O3 -","- C17 H12 Cu N8 O3 -","- C136 H96 Cu8 N64 O24 -","8","1","KA1284","Dunaj-Jurčo, Michal; Mikloš, Dušan; Potočňák, Ivan; Jäger, Lothar","Dicyanonitrosomethanide as a Subject of Nucleophilic Addition of Methanol and as an End-<i>O</i>-Coordinated Ligand in the Same Copper(II) Complex. II. (Bipyridine)(dicyanonitrosomethanido)[methyl(2-cyano-2-hydroxyimino)ethanimidato]copper(II)","Acta Crystallographica Section C","1998","54","12","1763","1765","10.1107/S0108270198007975","","","0.71073","MoKα","","0.178","0.037","","0.081","","0.065","","","0.693","","","0.957","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007968","8.162","0.002","9.919","0.002","22.021","0.004","90","","90","","90","","1782.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrost-4-ene-3,6-dione","17-Ethylenedioxyandrost-4-ene-3,6-dione","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.066","0.0331","","0.0981","0.0829","","","","1.064","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007969","9.854","0.002","10.86","0.002","16.524","0.003","90","","90","","90","","1768.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.1084","0.0375","","0.1158","0.0888","","","","1.035","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007970","7.9475","0.0005","8.3767","0.0007","25.019","0.002","90","","90","","90","","1665.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5β-androstan-3,17-dione","5β-androstan-3,17-dione","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","KA1287","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","5β-Androstan-3,17-dione","Acta Crystallographica Section C","1998","54","12","1898","1900","10.1107/S010827019800804X","","","1.54178","CuKα","","0.04","0.032","","0.093","0.084","","","","1.049","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007971","9.299","0.001","7.279","0.003","12.404","0.001","90","","90.05","0.01","90","","839.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phenyl-5-azauracil","6-phenyl-1,3,5-triazin-2,4[1H,3H]-dione","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C36 H28 N12 O8 -","4","1","KA1294","Lowe, Philip R.; Schwalbe, Carl H.","Classical Packing and Stacking in 6-Phenyl-5-azauracil","Acta Crystallographica Section C","1998","54","12","1936","1938","10.1107/S010827019800969X","","","0.71073","MoKα","","0.049","0.034","","0.096","0.093","","","","1.042","1.168","1.168","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007972","9.727","0.002","10.335","0.002","24.177","0.005","90","","90","","90","","2430.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17β-picolyl-5-androsten-16-one.","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C108 H140 N4 O12 -","4","1","LN1052","Lazar, Dušan; Stanković, Slobodanka; Sakač, Marija; Penov-Gašić, Katarina; Kovačević, Radmila; Medić-Mijačević, Ljubica; Pilati, Tullio","Structure‒Activity Relationships in 16- and 17-Substituted 5-Androstenes: 3β-Acetoxy-17β-picolyl-5-androsten-16-one","Acta Crystallographica Section C","1998","54","12","1965","1968","10.1107/S0108270198009342","","","0.71073","MoKα","","0.13","0.057","","0.19","0.133","","","","0.893","0.926","0.926","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007973","9.5664","0.0012","7.0768","0.0009","14.2175","0.001","90","","108.137","0.007","90","","914.69","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","t-butyl 3-[4-(2-bromoethoxy)-3-chlorophenyl]-5-methylisoxasole-4- carboxylate","","- C17 H19 Br Cl N O4 -","- C17 H19 Br Cl N O4 -","- C34 H38 Br2 Cl2 N2 O8 -","2","1","LN1061","Dupont, Léon; Kohl, Michel; Lejeune, Robert","<i>tert</i>-Butyl 3-[4-(2-Bromoethoxy)-3-chlorophenyl]-5-methylisoxazole-4-carboxylate","Acta Crystallographica Section C","1998","54","12","1957","1959","10.1107/S0108270198009482","","","1.5418","CuKα","","0.0391","0.0317","","","","0.0895","","","","","","0.942","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007974","15.316","0.005","19.798","0.005","14.484","0.002","90","","90","","90","","4391.9","1.9","292","","292","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Magnesium Sulfate Hexaurea Hemihydrate","","- C6 H25 Mg N12 O10.5 S -","- C6 H25 Mg N12 O10.5 S -","- C48 H200 Mg8 N96 O84 S8 -","8","1","NA1345","Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova","Magnesium Sulfate Hexaurea Hemihydrate","Acta Crystallographica Section C","1998","54","12","1758","1760","10.1107/S0108270198007070","","","0.71073","MoKα","","","0.05","","","","0.063","","","","","","1.057","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2007975","11.095","0.004","8.28","0.006","16.445","0.004","90","","94.02","0.02","90","","1507","1.3","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mercuric chloride-2,2^'^:6^'^2^''^-terpyridine","","- C15 H11 Cl2 Hg N3 -","- C15 H11 Cl2 Hg N3 -","- C60 H44 Cl8 Hg4 N12 -","4","1","NA1361","Matković-Čalogović, Dubravka; Davidović, Naka; Popović, Zora; Žugaj, Željka","Dichloro(2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>',<i>N</i>'')mercury(II)","Acta Crystallographica Section C","1998","54","12","1766","1768","10.1107/S0108270198009494","","","0.71073","MoKα","","0.091","0.0408","","","","0.1048","","","","","","0.992","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007976","18.4255","0.0016","7.2396","0.0006","7.6466","0.0005","90","","101.126","0.006","90","","1000.83","0.14","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tetracyano-p-xylene","","- C12 H6 N4 -","- C12 H6 N4 -","- C48 H24 N16 -","4","0.5","NA1363","Arena, Antonella; Bruno, Giuseppe; Panzalorto, Manuela; Patané, Salvatore; Saitta, Gaetano; Scopelliti, Rosario","Tetracyano-<i>p</i>-xylene","Acta Crystallographica Section C","1998","54","12","2003","2005","10.1107/S0108270198009500","","","0.71073","MoKα","","0.0489","0.0371","","0.1069","0.1032","","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007977","13.38","0.002","15.14","0.003","13.634","0.001","90","","109.46","0.01","90","","2604.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dichloro bis(3,5-diphenylpyrazole)copper(II)","","- C30 H24 Cl2 Cu N4 -","- C30 H24 Cl2 Cu N4 -","- C120 H96 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.065","0.044","","","","0.119","","","","","","0.896","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007978","8.041","0.002","15.768","0.003","14.549","0.002","90","","91.73","0.02","90","","1843.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","dichlorobis(5-phenylpyrazole)copper(II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","1","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.086","0.045","","","","0.11","","","","","","0.824","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007979","14.795","0.001","14.795","0.001","16.634","0.002","90","","90","","90","","3641","0.6","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","dichloro bis (1-phenylpyrazole) copper (II)","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C144 H128 Cl16 Cu8 N32 -","8","0.5","NA1369","Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.","Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles","Acta Crystallographica Section C","1998","54","12","1770","1773","10.1107/S0108270198008786","","","1.5418","CuKα","","0.034","0.027","","","","0.063","","","","","","0.923","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007980","9.7898","0.0009","7.3974","0.0006","17.292","0.002","90","","99.368","0.006","90","","1235.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(1-naphthylmethyl)-1,7-dioxa-4,10-diazacyclododecano","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C60 H68 N4 O4 -","2","0.5","NA1370","Alessandra Forni","Two Macrocyclic Azacrown Ethers","Acta Crystallographica Section C","1998","54","12","1921","1923","10.1107/S0108270198007550","","","0.71073","MoKα","","0.0652","0.0323","","0.0789","0.0707","","","","0.855","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007981","11.369","0.003","12.175","0.003","12.268","0.003","64.42","0.02","72.89","0.02","73.37","0.02","1438.7","0.7","245","2","245","2","","","","","","","","5","P -1","-P 1","2","","4,10,16,22-tetra(1-naphthylmethyl)-1,7,13,19-tetraoxa-4,10,16,22- tetraazacyclotetracosano","","- C62 H72 Cl4 N4 O4 -","- C62 H72 Cl4 N4 O4 -","- C62 H72 Cl4 N4 O4 -","1","0.5","NA1370","Alessandra Forni","Two Macrocyclic Azacrown Ethers","Acta Crystallographica Section C","1998","54","12","1921","1923","10.1107/S0108270198007550","","","0.71073","MoKα","","0.0571","0.0355","","0.0952","0.084","","","","0.948","1.073","1.073","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007982","8.103","0.004","5.686","0.003","14.27","0.008","90","","95.94","0.04","90","","653.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-2,2'-dichloro-4,4'-dimethylazobenzene","","- C14 H12 Cl2 N2 -","- C14 H12 Cl2 N2 -","- C28 H24 Cl4 N4 -","2","0.5","NA1372","Crispini, Alessandra; Ghedini, Mauro; Pucci, Daniela","<i>trans</i>-2,2'-Dichloro-4,4'-dimethylazobenzene","Acta Crystallographica Section C","1998","54","12","1869","1871","10.1107/S0108270198008798","","","0.71073","MoKα","","0.0491","0.0417","","0.1174","0.1119","","","","1.062","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007983","6.8417","0.0004","10.2086","0.0005","14.6099","0.0008","90","","101.574","0.005","90","","999.67","0.1","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+) (2R)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-pyrrolidinylium)methyl]piperidine chloride monohydrate","","- C18 H27 Cl3 N2 O2 -","- C18 H27 Cl3 N2 O2 -","- C36 H54 Cl6 N4 O4 -","2","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.038","0.036","","0.103","","0.103","","","1.041","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007984","7.0585","0.0006","7.0673","0.0004","40.53","0.002","90","","90","","90","","2021.8","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-) (2S)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-piperidinylium)methyl]piperidine chloride","","- C19 H27 Cl3 N2 O -","- C19 H27 Cl3 N2 O -","- C76 H108 Cl12 N8 O4 -","4","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.034","0.032","","0.097","","0.097","","","1.059","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007985","13.971","0.002","14.308","0.003","18.205","0.004","93.241","0.014","98.32","0.015","92.942","0.012","3588.5","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) perchlorate","","- C20 H12 Br4 Cl Cu N4 O4 -","- C20 H12 Br4 Cl Cu N4 O4 -","- C120 H72 Br24 Cl6 Cu6 N24 O24 -","6","3","NA1374","Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.","[Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine","Acta Crystallographica Section C","1998","54","12","1820","1823","10.1107/S0108270198009159","","","0.71073","MoKα","","0.143","0.05","","0.092","0.07","","","","0.89","1.021","1.021","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007986","12.726","0.002","22.233","0.003","8.6069","0.0008","90","","97.437","0.012","90","","2414.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) tetrafluoroborate","","- C20 H12 Ag B Br4 F4 N4 -","- C20 H12 Ag B Br4 F4 N4 -","- C80 H48 Ag4 B4 Br16 F16 N16 -","4","1","NA1374","Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.","[Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine","Acta Crystallographica Section C","1998","54","12","1820","1823","10.1107/S0108270198009159","","","0.71073","MoKα","","0.048","0.031","","0.066","0.062","","","","0.93","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007987","7.446","0.002","12.179","0.003","12.279","0.003","90","","102.6","0.05","90","","1086.7","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Diiodo(N-methylpiperazine-N,N')Platinum(II)","","- C5 H12 I2 N2 Pt -","- C5 H12 I2 N2 Pt -","- C20 H48 I8 N8 Pt4 -","4","1","NA1376","Ciccarese, Antonella; Clemente, Dore Augusto; Fanizzi, Francesco P.; Marzotto, Armando; Valle, Giovanni","Platinum(II) Complexes of Piperazine (and Derivatives): <i>cis</i>-Diiodo(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1998","54","12","1779","1781","10.1107/S0108270198009755","","","0.7107","MoKα","","0.1155","0.0568","","0.2052","0.1582","","","","1.06","1.052","1.052","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007988","7.204","0.0013","7.6076","0.0011","35.187","0.009","90","","90","","90","","1928.4","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","NA1378","Puliti, Raffaella; De Rosa, Salvatore; Mattia, Carlo Andrea","4'-Methylaminoavarone from <i>Dysidea avara</i>","Acta Crystallographica Section C","1998","54","12","1954","1957","10.1107/S010827019800924X","","","1.54056","CuKα","","0.0509","0.0447","","","0.0443","","","","","0.927","0.927","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007989","9.069","0.005","9.595","0.003","21.624","0.007","90","","90","","90","","1881.7","1.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(1'-hydroxy-4'-isopropyl-2',2'-dimethyl-1',2' -dihydrobenzocyclobuten-1'-yl)-3-mrthyl-2 -butanone ethylene acetal","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","OA1055","Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu","Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3<i>S</i>^*^,1'<i>S</i>^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)","Acta Crystallographica Section C","1998","54","12","1938","1941","10.1107/S0108270198009895","","","0.71073","MoKα","","","0.068","","","","0.071","","","","","","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007990","7.5","0.002","8.505","0.002","11.852","0.005","85.22","0.07","88.89","0.07","77.23","0.03","734.7","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","(3S^*^,1'3S^*^)-3-acetoxy-2-(1'-hydroxy-1',2' -dihydrobenzocyclobuten-1'-yl)-2-methylpentane","","- C16 H22 O3 -","- C16 H22 O3 -","- C32 H44 O6 -","2","1","OA1055","Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu","Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3<i>S</i>^*^,1'<i>S</i>^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)","Acta Crystallographica Section C","1998","54","12","1938","1941","10.1107/S0108270198009895","","","0.71073","MoKα","","","0.06","","","","0.07","","","","","","1.612","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007991","9.2032","0.0008","14.792","0.004","7.483","0.002","101.15","0.02","96.175","0.014","88.701","0.013","993.7","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","C-Trp","Cytosynyl-tryptophan","","- C36 H50 N10 O14 -","- C36 H46 N10 O14 -","- C36 H46 N10 O14 -","1","1","OS1006","Mitsunobu Doi; Mariko Tarui; Mihoko Ogata; Akiko Asano; Toshimasa Ishida","A Cytosine and Tryptophan Hybrid Dipeptide: Cytosinyl-<small>L</small>-tryptophan‒Water (2/6)","Acta Crystallographica Section C","1998","54","12","1941","1943","10.1107/S0108270198008051","","","1.5418","CuKα","","0.07","0.0537","","","","0.1677","","","","","","0.966","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007992","7.15","0.002","10.284","0.002","27.726","0.002","90","","90","","90","","2038.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O5 S -","- C19 H32 O5 S -","- C76 H128 O20 S4 -","4","1","","S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre","1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol","Acta Crystallographica Section C","1998","54","","1986","1987","","","","","","","","0.0392","","","0.108","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007993","16.46","0.003","15.717","0.003","22.023","0.004","90","","92.931","0.005","90","","5689.9","1.8","293","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H43 Cl3 Mn2 N10 O18.5 -","- C52 H43 Cl3 Mn2 N10 O18.5 -","- C208 H172 Cl12 Mn8 N40 O74 -","4","1","OS1015","Wilson, Claire; Larsen, Finn K.; Figgis, Brian N.","Di-μ-oxo-bis[bis(bipyridine-<i>N</i>,<i>N</i>')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate","Acta Crystallographica Section C","1998","54","12","1797","1799","10.1107/S0108270198008701","","","0.71073","MoKα","","0.132","0.074","","0.152","","","","","1.273","1.566","1.566","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007994","6.941","0.001","6.569","0.001","11.315","0.002","90","","90.55","0.02","90","","515.89","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FOX-7","1,1‒diamino‒2,2‒dinitroethylene","","- C2 H4 N4 O4 -","- C2 H4 N4 O4 -","- C8 H16 N16 O16 -","4","1","OS1020","Bemm, Ulf; Östmark, Henric","1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions","Acta Crystallographica Section C","1998","54","12","1997","1999","10.1107/S0108270198007987","","","0.71073","MoKα","","0.0347","0.0312","","","","0.0808","","","","","","1.655","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007995","8.935","0.002","15.733","0.007","18.372","0.004","90","","90","","90","","2582.6","1.4","223","1","223","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 N2 O10 Pb -","- C6 H14 N2 O10 Pb -","- C48 H112 N16 O80 Pb8 -","8","1","OS1021","Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar","Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol","Acta Crystallographica Section C","1998","54","12","1794","1797","10.1107/S0108270198008312","","","0.71073","MoKα","","0.075","0.046","","0.111","0.099","","","","1.076","1.132","1.132","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007996","19.856","0.003","21.45","0.004","7.228","0.005","90","","90","","90","","3078","2","294","2","294","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","3RS,4RS-2-Methyl-3,4-diphenylhex-5-en-3-ol","","- C19 H22 O -","- C19 H22 O -","- C152 H176 O8 -","8","1","OS1022","Rainer Sjöholm; Reijo Sillanpää","(3<i>RS</i>,4<i>RS</i>)-2-Methyl-3,4-diphenyl-5-hexen-3-ol","Acta Crystallographica Section C","1998","54","12","1999","2001","10.1107/S0108270198008609","","","0.71069","MoKα","","0.1127","0.053","","","","0.1481","","","","","","1.022","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007997","23.553","0.0005","5.3933","0.0001","22.9996","0.0003","90","","90","","90","","2921.6","0.09","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","(E)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C136 H144 O32 -","8","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0533","0.0435","","0.1206","0.1096","","","","1.075","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007998","12.4168","0.0007","12.9562","0.0007","12.2833","0.0007","97.641","0.007","113.547","0.007","77.483","0.007","1766.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-Acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","2","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","1.54178","CuKα","","0.0806","0.0472","","0.1534","0.1299","","","","1.033","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007999","12.8655","0.0002","12.0107","0.0002","12.4608","0.0001","90","","117.031","0.001","90","","1715.15","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-Acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0736","0.0443","","0.1175","0.0956","","","","1.124","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008000","21.2854","0.0001","7.8608","0.0001","9.3555","0.0002","90","","100.229","0.001","90","","1540.48","0.04","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(Z)-2-Hydroxy-3,3',4'-trimethoxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","OS1025","Stomberg, Rolf; Li, Shiming; Lundquist, Knut; Albinsson, Bo","Investigation of Three Stilbene Derivatives by X-ray Crystallography and NMR Spectroscopy","Acta Crystallographica Section C","1998","54","12","1929","1934","10.1107/S0108270198008877","","","0.71073","MoKα","","0.0276","0.0262","","0.0737","0.0708","","","","1.048","1.025","1.025","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008001","11.695","0.002","11.91","0.003","15.535","0.002","72.61","0.01","79.83","0.01","77.16","0.02","1999.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H20 F15 Ir O P2 -","- C43 H20 F15 Ir O P2 -","- C86 H40 F30 Ir2 O2 P4 -","2","1","OS1027","John Fawcett; Eric G. Hope; Lee A. Peck","<i>trans</i>-Carbonyl(pentafluorophenyl-<i>C</i>)bis[(pentafluorophenyl)diphenylphosphine-<i>P</i>]iridium(I)","Acta Crystallographica Section C","1998","54","12","1752","1753","10.1107/S0108270198008063","","","0.71073","MoKα","","0.043","0.033","","0.084","0.078","","","","0.976","0.987","0.987","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008002","7.382","0.001","7.791","0.001","11.437","0.001","94.11","0.01","101.7","0.01","93.39","0.01","640.62","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4benzyl-pyridin-4-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C28 H34 N2 O6 -","2","1","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.11","0.076","","0.228","0.196","","","","1.055","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008003","7.2766","0.0007","7.3473","0.0006","13.294","0.001","91.395","0.006","90.823","0.008","117.258","0.009","631.37","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4methylbenzyl-pyridin-4-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C30 H34 N2 O4 -","2","1","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.044","0.039","","0.114","0.109","","","","1.031","1.054","1.054","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008004","7.266","0.001","12.408","0.002","14.681","0.002","113.05","0.01","100.2","0.01","90.74","0.01","1193.7","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","3-Hydroxy-2-ethyl-1-4fluorobenzyl-pyridin-4-one","","- C14 H14 F N O2 -","- C14 H14 F N O2 -","- C56 H56 F4 N4 O8 -","4","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.053","0.038","","0.099","0.09","","","","1.043","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008005","14.645","0.001","11.634","0.001","17.832","0.003","90","","110.1","0.02","90","","2853.2","0.7","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-Hydroxy-2-ethyl-1-4trifluoromethylbenzyl-pyridin-4-one","","- C15 H15 F3 N O2.5 -","- C15 H15 F3 N O2.5 -","- C120 H120 F24 N8 O20 -","8","2","OS1028","Burgess, John; Fawcett, John; Russell, David R.; Waltham, Emma","Four <i>N</i>-Benzyl-Substituted 2-Ethyl-3-hydroxypyridin-4-ones","Acta Crystallographica Section C","1998","54","12","2011","2015","10.1107/S0108270198008488","","","0.71073","MoKα","","0.128","0.067","","0.165","0.133","","","","1.023","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008006","13.903","0.001","13.903","0.001","25.963","0.003","90","","90","","90","","5018.5","0.8","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H30 Hg I4 S2 -","- C12 Hg I4 S2 -","- C96 Hg8 I32 S16 -","8","0.5","OS1033","Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, Per H.","Bis(triethylsulfonium) Tetraiodomercurate(II)","Acta Crystallographica Section C","1998","54","12","1851","1853","10.1107/S0108270198008889","","","0.7107","MoKα","","","0.037","","","0.048","","","","","1.633","1.633","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008007","7.001","0.001","10.356","0.002","8.367","0.002","90","","107.39","0.03","90","","578.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C12 Co2 K6 N12 -","2","0.5","QA0043","Zhou, Ping; Xue, Feng; Au-Yeung, Steve C. F.","Potassium Hexacyanocobaltate, a Redetermination","Acta Crystallographica Section C","1998","54","12","IUC9800062","","10.1107/S0108270198099193","","","0.71073","MoKα","","0.053","0.041","","","","0.1","","","","","","1.081","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008008","5.5806","0.0007","22.641","0.003","7.0249","0.0003","90","0.01","99.79","0.01","90","0.01","874.67","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","QA0059","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium Oxalate Monohydrate","Acta Crystallographica Section C","1998","54","12","IUC9800063","","10.1107/S0108270198099144","","","0.71073","MoKα","","0.058","0.046","","0.187","","0.129","","","1.145","","","1.1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008009","13.541","0.004","13.177","0.004","17.06","0.004","90","","98.49","0.02","90","","3010.7","1.5","210","2","210","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","([9]aneS3)(5-NO2-phen)Pd](PF6)2.MeNO2","[(5-Nitro-1,10-phenanthroline)(1,4,7-trithiacyclononane-S,S',S"")palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate","","- C19 H22 F12 N4 O4 P2 Pd S3 -","- C19 H19 F12 N4 O4 P2 Pd S3 -","- C76 H76 F48 N16 O16 P8 Pd4 S12 -","4","1","QA0064","Blake, Alexander J.; Champness, Neil R.; Li, Wan-Sheung; Schröder, Martin","[(5-Nitro-1,10-phenanthroline-<i>N</i>,<i>N</i>')(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')palladium(II)] Bis(hexafluorophosphate) Nitromethane Solvate","Acta Crystallographica Section C","1998","54","12","IUC9800071","","10.1107/S0108270198099156","","","0.71073","MoKα","","0.121","0.077","","","","0.19","","","","","","1.212","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"2008010","10.081","0.001","8.927","0.001","16.508","0.001","90","","102.29","0.01","90","","1451.6","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[α-(N-succimidyl)benzyl]selenamorpholine","","- C15 H18 N2 O2 Se -","- C15 H18 N2 O2 Se -","- C60 H72 N8 O8 Se4 -","4","1","QA0065","Wu, Jun; Liu, Xiu-Fang; Xu, Han-Sheng; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng","<i>N</i>-[α-(<i>N</i>-Succimidyl)benzyl]selenamorpholine","Acta Crystallographica Section C","1998","54","12","IUC9800066","","10.1107/S0108270198099132","","","1.54184","CuKα","","0.063","0.057","","","","0.171","","","","","","1.046","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008011","6.399","0.001","13.415","0.002","7.288","0.001","90","","110.1","0.01","90","","587.52","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dinitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine","","- C8 H18 N4 O4 -","- C8 H18 N4 O4 -","- C16 H36 N8 O8 -","2","0.5","QA0066","Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin","The First X-ray Study of Alkoxynitrosoamines","Acta Crystallographica Section C","1998","54","12","IUC9800073","","10.1107/S0108270198099120","","","1.54178","CuKα","","0.0431","0.0403","","0.1269","0.111","","","","1.111","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008012","6.424","0.001","13.611","0.002","7.231","0.001","90","","109.74","0.01","90","","595.1","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-formyl-N'-nitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine","","- C9 H19 N3 O4 -","- C9 H19 N3 O4 -","- C18 H38 N6 O8 -","2","0.5","QA0066","Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin","The First X-ray Study of Alkoxynitrosoamines","Acta Crystallographica Section C","1998","54","12","IUC9800073","","10.1107/S0108270198099120","","","1.54178","CuKα","","0.0383","0.036","","0.102","0.1003","","","","1.085","1.122","1.122","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008013","8.13","0.003","9.425","0.001","9.748","0.007","86.13","0.02","73.38","0.03","66.463","0.019","655.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N,N-diethylphenylsulfonylacetamide","","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C24 H34 N2 O6 S2 -","2","1","QA0069","Céard, Sophie; Gaumet, Vincent; Roche, Danielle; Métin, Jacques; Madesclaire, Michel","<i>N</i>,<i>N</i>-Diethylphenylsulfonylacetamide","Acta Crystallographica Section C","1998","54","12","IUC9800067","","10.1107/S0108270198099119","","","0.71073","MoKα","","0.0609","0.0421","","","","0.1298","","","","","","1.072","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008014","7.5872","0.0001","11.1006","0.0002","19.6648","0.0001","90","","90","","90","","1656.22","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Diphenyl-2,2,3,3-tetrachlorbicyclo[2.2.0]hexane","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","QA0070","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System","Acta Crystallographica Section C","1998","54","12","IUC9800072","","10.1107/S0108270198099107","","","0.71073","MoKα","","0.039","0.036","","","","0.092","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008015","9.848","0.005","17.539","0.009","21.95","0.009","111.06","0.03","92.19","0.04","106.2","0.04","3357","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Ag P Si3 -","- C26 H56 Ag P Si3 -","- C104 H224 Ag4 P4 Si12 -","4","2","QB0054","Stammler, Hans-Georg; Jutzi, Peter; Wieland, Wolfram; Neumann, Beate","(Tributylphosphine-<i>P</i>)[1,2,4-tris(trimethylsilyl)cyclopentadienyl]silver(I)","Acta Crystallographica Section C","1998","54","12","IUC9800064","","10.1107/S0108270198099168","","","0.71073","MoKα","","0.148","0.064","","0.125","0.082","","","","1.211","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008016","12.5629","0.0006","12.5629","0.0006","7.6587","0.0007","90","","90","","90","","1208.75","0.14","200","2","200","2","","","","","","","","6","P 4/n :2","-P 4a","85","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","Tetraphenylphosphonium tetrachloro[oxovanadate(V)]","","- C24 H20 Cl4 O P V -","- C24 H20 Cl4 O P V -","- C48 H40 Cl8 O2 P2 V2 -","2","0.25","QB0064","Wulff-Molder, Dirk; Meisel, Manfred","Tetraphenylphosphonium Tetrachlorooxovanadate(V)","Acta Crystallographica Section C","1998","54","12","IUC9800068","","10.1107/S010827019809917X","","","0.71073","MoKα","","0.066","0.036","","0.097","","0.08","","","1.155","","","1.144","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008017","8.9459","0.0002","5.4133","0.0002","13.2114","0.0003","90","","90","","90","","639.79","0.03","299","2","299","2","","","","","","","","3","P n m a","-P 2ac 2n","62","α strontium diphosphate","α distrontium diphosphate","","- O7 P2 Sr2 -","- O7 P2 Sr2 -","- O28 P8 Sr8 -","4","0.5","QB0066","Jacques Barbier; Jean-Philippe Echard","A New Refinement of α-Sr~2~P~2~O~7~","Acta Crystallographica Section C","1998","54","12","IUC9800070","","10.1107/S0108270198099181","","","0.71073","MoKα","","0.0268","0.0206","","0.0471","0.0458","","","","1.248","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008018","29.432","0.004","7.292","0.001","15.958","0.002","90","","117.12","0.01","90","","3048.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-Methoxyacetophenone-2,4-dinitrophenylhydrazone","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C120 H112 N32 O40 -","8","1","QB0067","Bolte, Michael; Dill, Michele","4'-Methoxyacetophenone 2,4-Dinitrophenylhydrazone at 173K","Acta Crystallographica Section C","1998","54","12","IUC9800065","","10.1107/S0108270198099090","","","0.71073","MoKα","","0.052","0.041","","","","0.119","","","","","","1.029","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008019","8.8787","0.0016","7.9846","0.0016","12.395","0.003","90","","100.243","0.015","90","","864.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","cis-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","QB0068","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","<i>cis</i>-8-Methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic Acid at 293K","Acta Crystallographica Section C","1998","54","12","IUC9800069","","10.1107/S0108270198099089","","","0.71073","MoKα","","0.114","0.0736","","","","0.2064","","","","","","1.074","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008020","7.792","0.001","10.39","0.001","18.894","0.002","90","","90","","90","","1529.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Ba O4 -","- C8 H4 Ba O4 -","- C64 H32 Ba8 O32 -","8","1","SK1168","Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D.","Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity","Acta Crystallographica Section C","1998","54","12","1846","1848","10.1107/S0108270198009512","","","0.71073","MoKα","","0.0388","0.0248","","0.0594","0.0487","","","","1.053","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008021","9.57","0.0003","20.2292","0.0007","22.1484","0.0005","90","","100.122","0.001","90","","4221","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Br Cl2 Mo2 N O6 S2 -","- C34 H44 Br Cl2 Mo2 N O6 S2 -","- C136 H176 Br4 Cl8 Mo8 N4 O24 S8 -","4","1","SK1177","Pan, Guohua; Zhuang, Botao; Chen, Jiutong","A Hetero-Tribridged Dinuclear Molybdenum Compound [Bu~4~N][Mo~2~(CO)~6~(<i>p</i>-Cl-C~6~H~4~ S)~2~Br]","Acta Crystallographica Section C","1998","54","12","1815","1816","10.1107/S010827019800763X","","","0.71073","MoKα","","0.1922","0.0657","","0.2497","0.1591","","","","0.886","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008022","32.421","0.003","6.235","0.001","22.646","0.001","90","","91.333","0.007","90","","4576.5","0.9","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1S^*^,3S^*^)-3-methoxy-1-methyl-3-phenyl-3-(1,1,1-trimethylsilyl)-propyl 3,5-dinitrobenzoate.","","- C21 H26 N2 O7 Si -","- C21 H26 N2 O7 Si -","- C168 H208 N16 O56 Si8 -","8","1","SK1185","Baudoux, Guy; Norberg, Bernadette; Bousbaa, Jamal; Krief, Alain; Evrard, Guy","A Dinitrobenzoate Derivative of an α-Methoxy-γ-hydroxysilane","Acta Crystallographica Section C","1998","54","12","1944","1945","10.1107/S0108270198004612","","","1.54178","CuKα","","0.0478","0.0402","","","","0.1215","","","","","","1.11","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008023","9.315","0.002","10.849","0.002","9.407","0.002","90","","90","","90","","950.7","0.3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","tripotassium-tantalum-tetrasulfide","","","- K3 S4 Ta -","- K3 S4 Ta -","- K12 S16 Ta4 -","4","0.5","SK1197","Herzog, Sabine; Näther, Christian; Bensch, Wolfgang","K~3~Ta S~4~","Acta Crystallographica Section C","1998","54","12","1742","1744","10.1107/S0108270198007641","","","0.71073","MoKα","","0.0332","0.0304","","0.0781","0.076","","","","1.103","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008024","17.066","0.002","16.863","0.002","18.487","0.002","90","","94.65","0.011","90","","5302.8","1.1","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(bpy)3][Ni(dmit)2]2","[Tris-(2,2'-bipyridyl)copper(II)]-bis-[bis(2-thioxo-1,3-dithiole-4,5- dithiolato)nickelate(III)]","","- C42 H24 Cu N6 Ni2 S20 -","- C42 H24 Cu N6 Ni2 S20 -","- C168 H96 Cu4 N24 Ni8 S80 -","4","0.5","SK1205","Faulmann, Christophe; Veldhuizen, Yvonne S. J.; Haasnoot, Jaap G.; Reedijk, Jan; Cassoux, Patrick","A New Ni(dmit)~2~ Salt with a Paramagnetic Cation: [Cu(bpy)~3~][Ni(C~3~S~5~)~2~]~2~","Acta Crystallographica Section C","1998","54","12","1827","1830","10.1107/S0108270198011007","","","0.71073","MoKα","","0.039","0.028","","","","0.07","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008025","8.467","0.0007","9.7895","0.0006","11.0973","0.0006","73.717","0.006","81.592","0.006","87.474","0.009","873.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","SK1209","Francese, Giancarlo; Neels, Antonia; Stoeckli-Evans, Helen; Decurtins, Silvio","Diethyl <i>N</i>,<i>N</i>'-(Naphthalene-1,8-diyl)dioxamate","Acta Crystallographica Section C","1998","54","12","1858","1859","10.1107/S0108270198009652","","","0.71073","MoKα","","0.074","0.05","","","","0.199","","","","","","1.256","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008026","12.8086","0.0009","6.6542","0.0004","14.4143","0.001","90","","97.679","0.009","90","","1217.53","0.14","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-triphenylstannyl-α-L-xylofuranose.","","- C26 H28 O4 Sn -","- C26 H28 O4 Sn -","- C52 H56 O8 Sn2 -","2","1","SK1213","Rufino, Helena; Wardell, James L.; Low, John N.; Falconer, Ruth; Ferguson, George","5-Deoxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-triphenylstannyl-α-<small>L</small>-xylofuranose","Acta Crystallographica Section C","1998","54","12","1792","1794","10.1107/S0108270198009524","","","0.71073","MoKα","","0.022","0.017","","","","0.04","","","","","","1.025","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008027","10.1013","0.0009","11.82","0.001","14.1077","0.0011","77.388","0.007","85.339","0.007","74.803","0.006","1585.8","0.2","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","(4-Methoxyphenyl)diphenylmethanol","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","2","SK1217","Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George","(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol","Acta Crystallographica Section C","1998","54","12","1970","1974","10.1107/S0108270198009329","","","0.7107","MolybdenumKα","","0.09","0.037","","","","0.102","","","","","","1.008","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008028","11.9327","0.0008","10.5752","0.0009","14.6833","0.0011","90","","101.857","0.006","90","","1813.4","0.2","294","1","294","1","","","","","","","","3","C 1 c 1","C -2yc","9","","Tris(2-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","SK1217","Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George","(4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol","Acta Crystallographica Section C","1998","54","12","1970","1974","10.1107/S0108270198009329","","","0.7107","MolybdenumKα","","0.048","0.031","","","","0.081","","","","","","1.056","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008029","17.104","0.001","6.012","0.001","8.11","0.001","90","","95.46","0.01","90","","830.16","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Methoxynaphthalene","","- C11 H10 O -","- C11 H10 O -","- C44 H40 O4 -","4","1","SK1220","Bolte, Michael; Bauch, Christian","2-Methoxynaphthalene at 173K","Acta Crystallographica Section C","1998","54","12","1862","1863","10.1107/S0108270198009330","","","0.71073","MoKα","","0.046","0.038","","","","0.112","","","","","","1.072","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008030","4.1787","0.0005","13.245","0.002","14.856","0.003","90","","90","","90","","822.2","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-dibromo-6-chloroaniline","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.153","0.063","","","","0.142","","","","","","0.937","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008031","16.7289","0.0015","4.6993","0.0005","25.928","0.003","90","","95.22","0.014","90","","2029.9","0.4","294","1","294","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-acetyl 4-bromo-2,6-dichloroaniline","","- C8 H6 Br Cl2 N O -","- C8 H6 Br Cl2 N O -","- C64 H48 Br8 Cl16 N8 O8 -","8","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.075","0.043","","","","0.112","","","","","","0.968","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008032","4.5575","0.0005","11.4987","0.0012","15.026","0.002","90","","90","","90","","787.44","0.16","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-formyl 4-bromo-2,6-difluoroaniline","","- C7 H4 Br F2 N O -","- C7 H4 Br F2 N O -","- C28 H16 Br4 F8 N4 O4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.089","0.054","","","","0.137","","","","","","0.975","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008033","8.322","0.0007","12.5682","0.0011","18.6853","0.0018","94.663","0.008","96.98","0.007","95.479","0.006","1922.4","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","3-Ferrocenyl-2-phenyl-6-nitroquinoxaline","","- C24 H17 Fe N3 O2 -","- C24 H17 Fe N3 O2 -","- C96 H68 Fe4 N12 O8 -","4","2","SK1223","Ahmed, S. Zaka; Ferguson, George; Glidewell, Christopher","3-Ferrocenyl-6-nitro-2-phenylquinoxaline: Cyclic Centrosymmetric Dimers Depending on both C—H···O Hydrogen Bonds and π-π Stacking Interactions","Acta Crystallographica Section C","1998","54","12","1839","1842","10.1107/S0108270198009664","","","0.7107","MoKα","","0.067","0.041","","","","0.111","","","","","","0.951","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008034","22.322","0.005","11.801","0.003","7.425","0.001","90","","90","","90","","1955.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Tetrahydropalmatine Monohydrate","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","SK1224","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Moi, La Dinh; Khoi, Ta Thi; Phuong, Doan Lan","({-})-Tetrahydropalmatine Monohydrate","Acta Crystallographica Section C","1998","54","12","1977","1980","10.1107/S0108270198009676","","","1.5418","CuKα","","0.064","0.039","","0.117","0.104","","","","1.166","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008035","10.677","0.002","12.374","0.002","8.946","0.002","110.41","0.02","107.9","0.02","99.5","0.02","1003.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","pivaloyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C18 H21 Cl N2 O7 S -","- C18 H21 Cl N2 O7 S -","- C36 H42 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.093","0.058","","0.194","0.162","","","","1.041","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008036","10.494","0.002","12.679","0.002","8.606","0.002","107.08","0.02","107.39","0.02","103.77","0.02","975.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","butyryoxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C17 H19 Cl N2 O7 S -","- C17 H19 Cl N2 O7 S -","- C34 H38 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.062","0.049","","0.157","0.144","","","","1.035","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008037","10.58","0.002","12.471","0.002","8.643","0.003","107.78","0.02","107.76","0.02","102.863","0.014","969.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","isobutyryloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C17 H19 Cl N2 O7 S -","- C17 H19 Cl N2 O7 S -","- C34 H38 Cl2 N4 O14 S2 -","2","1","SX1045","Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; González, Oscar A.; Manta, Eduardo; Prandi, Carolina","Three Isostructural Furosemide Prodrugs","Acta Crystallographica Section C","1998","54","12","1911","1915","10.1107/S0108270198007653","","","0.71069","MoKα","","0.069","0.058","","0.18","0.169","","","","1.089","1.137","1.137","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008038","7.8978","0.0001","9.1364","0.0002","13.7581","0.0001","90","","90","","90","","992.75","0.03","198","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O6 -","- C7 H14 N2 O6 -","- C28 H56 N8 O24 -","4","1","SX1069","Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo","β-1-<i>N</i>-Ureido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","12","1992","1994","10.1107/S0108270198007665","","","0.71073","MoKα","","0.041","0.038","","0.089","0.086","","","","1.086","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008039","7.486","0.0004","10.889","0.001","15.456","0.001","90","","94.916","0.006","90","","1255.26","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","O-Nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","TA1206","Liu, Shu-Hua; Chen, Xiao-Feng; Xu, Yao-Hua; You, Xiao-Zeng; Chen, Wei; Arifin, Zainudin","<i>o</i>-Nitrobenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1998","54","12","1919","1921","10.1107/S0108270198008774","","","0.71073","MoKα","","0.1","0.055","","0.145","0.127","","","","0.99","1.166","1.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008040","6.996","0.001","8.106","0.001","13.602","0.001","85.68","0.01","88.36","0.01","74.88","0.01","742.51","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-hydroxy-2-methyl-N-(5-methyl-2-thiazole)-2H-1,2-benzothiazine-3 -carboxamide 1,1-dioxide","","- C14 H13 N3 O4 S2 -","- C14 H13 N3 O4 S2 -","- C28 H26 N6 O8 S4 -","2","1","VJ1082","Fabiola, G. Felcy; Pattabhi, Vasantha; Manjunatha, S. G.; Venkateshwar Rao, G.; Nagarajan, K.","4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide 1,1-Dioxide","Acta Crystallographica Section C","1998","54","12","2001","2003","10.1107/S0108270198008452","","","1.5418","CuKα","","0.042","0.035","","0.1","0.089","","","","1.061","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008041","4.8509","0.0015","14.0214","0.0012","16.671","0.003","90","","97.43","0.02","90","","1124.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","thiabendazole nitrate","[4-(2-benzimidazolyl)thiazole]nitrate","","- C10 H8 N4 O3 S -","- C10 H8 N4 O3 S -","- C40 H32 N16 O12 S4 -","4","1","VJ1084","Murugesan, Somasundaram; Prabakaran, Ponraj; Thomas Muthiah, Packianathan","Thiabendazolium Nitrate, an Anthelmintic Compound","Acta Crystallographica Section C","1998","54","12","1905","1907","10.1107/S0108270198008968","","","0.7107","MoKα","","0.049","0.049","","0.122","","0.122","","","1.15","1.213","1.213","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2021870","17.02","0.004","13.906","0.003","5.811","0.001","90","","90","","90","","1375.3","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-diphenylguanidinium nitrate","","- C13 H14 N4 O3 -","- C13 H14 N4 O3 -","- C52 H56 N16 O12 -","4","1","","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","N,N'-Diphenylguanidinium Nitrate","Acta Crystallographica Section C Crystal Structure Communications","1998","54","6","805","","10.1107/S0108270198003084","","","0.71073","MoKα","","0.062","0.031","","","","0.098","","","","","","0.916","","","","has coordinates","246030","2020-10-21","18:00:00",""
"9011386","9.3938","","9.3938","","6.9013","","90","","90","","120","","527.405","","","","","","","","","","","","Synthetic","6","P 63/m","-P 6c","176","","","","- Ca4.5 F0.77 Nd0.5 O12.14 P2.55 Si0.45 -","- Ca4.5 F0.77 Nd0.5 O12.14 P2.55 Si0.45 -","- Ca9 F1.54 Nd O24.28 P5.1 Si0.9 -","2","0.166667","","Boyer, L.; Savariault, J. M.; Carpena, J.; Lacout, J. L.","A neodymium-substituted britholite compound","Acta Crystallographica, Section C","1998","54","","1057","1059","10.1107/S0108270197019306","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""