# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-30T12:15:03+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 = 61 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
"2014597","24.0733","0.0009","9.9223","0.0003","20.5055","0.0008","90","","111.22","0.002","90","","4565.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine -κ^5^N,N',N'',N''',O]iron(III)} tetrakis(perchlorate)","","- C38 H40 Cl4 Fe2 N8 O19 -","- C38 H40 Cl4 Fe2 N8 O19 -","- C152 H160 Cl16 Fe8 N32 O76 -","4","0.5","AV1198","Yun-Ling, Gao; Xiao-Jun, Peng; Shi-Guo, Sun; Chang-Neng, Chen; Li-Cheng, Sun","μ-Oxo-bis{[(6-hydroxymethyl-2-pyridylmethyl)bis(2-pyridylmethyl)amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>]iron(III)} tetrakis(perchlorate)","Acta Crystallographica Section C","2005","61","1","m13","m15","10.1107/S0108270104028148","","","0.71073","MoKα","","","0.0752","","","0.1659","0.191","","","","","","1.09","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2014598","8.4073","0.0002","8.6544","0.0003","11.8014","0.0004","71.814","0.0014","70.7538","0.0013","82.343","0.002","769.74","0.04","293","","","","","","","","","","","5","P -1","-P 1","2","","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione","","- C14 H11 Cl3 N4 O2 -","- C14 H11 Cl3 N4 O2 -","- C28 H22 Cl6 N8 O4 -","2","1","AV1201","Belyakov, Sergey; Alksnis, Edgars; Muravenko, Velta; Lukevics, Edmunds","8-Chloro-7-(2,6-dichlorobenzyl)-1,3-dimethyl-7<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section C","2005","61","1","o63","o64","10.1107/S0108270104023133","","","0.71073","MoKα","","0.0592","0.0492","","","0.1207","0.1299","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014599","14.052","0.003","11.33","0.002","17.283","0.003","90","","107.2","0.03","90","","2628.6","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2-chloroethylamino)acridine monohydrate","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","1.54178","CuKα","","0.0883","0.0451","","","0.1044","0.136","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014600","9.4","0.003","10.301","0.003","14.955","0.004","90","","106.89","0.03","90","","1385.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Phenoxyacridine","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","AV1203","Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski","9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine","Acta Crystallographica Section C","2005","61","2","o85","o87","10.1107/S0108270104025156","","","0.71073","MoKα","","0.0467","0.0428","","","0.1113","0.1147","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014601","9.3766","0.0019","17.734","0.004","16.35","0.003","90","","98.54","0.03","90","","2688.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tris(2,2'-bisoxazoline-k^2^N,N')copper(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']copper(II) diperchlorate","","- C18 H24 Cl2 Cu N6 O14 -","- C18 H24 Cl2 Cu N6 O14 -","- C72 H96 Cl8 Cu4 N24 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1357","0.0494","","","0.094","0.1119","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014602","9.3911","0.0019","17.683","0.004","16.743","0.003","90","","101.14","0.03","90","","2728","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(2,2'-bisoxazoline-k^2^N,N')nickel(II) diperchlorate","tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']nickel(II) diperchlorate","","- C18 H24 Cl2 N6 Ni O14 -","- C18 H24 Cl2 N6 Ni O14 -","- C72 H96 Cl8 N24 Ni4 O56 -","4","1","AV1208","Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing","Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","2005","61","3","m147","m150","10.1107/S010827010402815X","","","0.71073","MoKα","","0.1164","0.0511","","","0.0931","0.1039","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014603","5.76","0.001","8.177","0.001","10.639","0.002","106.1","0.01","96.91","0.01","97.4","0.01","470.98","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N'-μ-p- phenylenebis(oxyacetato)-κ^2^O:O']","","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","- C20 H20 Co N2 O8 -","1","0.5","AV1215","Yu-Mei Dai; En Tang; Zhao-Ji Li; Yuan-Gen Yao","Poly[[diaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-<i>p</i>-phenylenebis(oxyacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","2","m61","m63","10.1107/S0108270104031397","","","0.71073","MoKα","","","0.0723","","","0.167","0.183","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014604","4.604","0.002","12.514","0.004","14.422","0.004","90","","90","","90","","830.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-amidino-4-hydroxyproline","N-Amidino-4-hydroxy-L-proline monohydrate","","- C6 H13 N3 O4 -","- C6 H13 N3 O4 -","- C24 H52 N12 O16 -","4","1","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0502","0.0385","","","0.0776","0.0813","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014605","8.982","0.003","9.844","0.003","12.066","0.004","90","","105.64","0.03","90","","1027.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-amidino-L-methionine monohydrate","","- C6 H15 N3 O3 S -","- C6 H15 N3 O3 S -","- C24 H60 N12 O12 S4 -","4","2","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0527","0.0393","","","0.0742","0.0777","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014606","11.7324","0.0018","12.3985","0.0019","13.228","0.002","90","","101.817","0.003","90","","1883.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl [(Z)-1-iodo-2-phenyl-1-hexenyl]phosphonate","","- C16 H24 I O3 P -","- C16 H24 I O3 P -","- C64 H96 I4 O12 P4 -","4","1","AV1218","Mbianda, Xavier Y.; Fernandes, Manuel A.","Diethyl [(<i>Z</i>)-1-iodo-2-phenyl-1-hexenyl]phosphonate","Acta Crystallographica Section C","2005","61","3","o168","o170","10.1107/S0108270104032913","","","0.71073","MoKα","","0.0405","0.0308","","","0.08","0.0862","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014607","10.1453","0.001","20.0868","0.0019","12.0925","0.0012","90","","105.193","0.002","90","","2378.2","0.4","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxo-bis{(acetonitrile)[N-benzyl-N-(6-methyl-2- pyridylmethyl)benzylamine-κ^2^N',N'']copper(II)} diperchlorate","","- C46 H52 Cl2 Cu2 N6 O10 -","- C46 H52 Cl2 Cu2 N6 O10 -","- C92 H104 Cl4 Cu4 N12 O20 -","2","0.5","AV1222","Rojas, Dario; García, Ana María; Manzur, Jorge; Vega, Andrés","Di-μ-hydroxo-bis{(acetonitrile)dibenzyl(6-methyl-2-pyridylmethyl)amine-κ^2^<i>N</i>,<i>N</i>]copper(II)} bis(perchlorate)","Acta Crystallographica Section C","2005","61","2","m115","m116","10.1107/S010827010500034X","","","0.71073","MoKα","","0.0773","0.0571","","","0.1692","0.1826","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014608","10.2083","0.0002","10.2083","0.0002","10.2083","0.0002","90","","90","","90","","1063.8","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti0.9999 Yb1.0001 -","- O48 P12 Rb8 Ti3.9996 Yb4.0004 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0242","0.024","","0.0563","0.0562","0.0563","","","","","","1.237","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014609","10.2111","0.0002","10.2111","0.0002","10.2111","0.0002","90","","90","","90","","1064.68","0.04","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti Yb -","- O12 P3 Rb2 Ti Yb -","- O48 P12 Rb8 Ti4 Yb4 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.71073","MoKα","","0.0234","0.023","","0.0538","0.0536","0.0538","","","","","","1.277","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014610","10.2132","0.0002","10.2132","0.0002","10.2132","0.0002","90","","90","","90","","1065.33","0.04","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0444","0.0439","","","0.1172","0.1179","","","","","","1.179","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014611","10.2228","0.0005","10.2228","0.0005","10.2228","0.0005","90","","90","","90","","1068.34","0.09","150","2","150","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","Langbeinite","","","- O12 P3 Rb2 Ti1.68 Yb0.32 -","- O12 P3 Rb2 Ti1.685 Yb0.315 -","- O48 P12 Rb8 Ti6.74 Yb1.26 -","4","0.333333","BC1051","Joacim C. M. Gustafsson; Stefan T. Norberg; Göran Svensson; Jörgen Albertsson","Two new phosphate langbeinites, Rb~2~YbTi(PO~4~)~3~ and Rb~2~Yb~0.32~Ti~1.68~(PO~4~)~3~, investigated at 293 and 150K","Acta Crystallographica Section C","2005","61","2","i9","i13","10.1107/S0108270104030525","","","0.872","Synchrotron","","0.0245","0.0244","","0.0631","0.0631","0.0631","","","","","","1.208","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014612","10.0215","0.0008","10.0215","0.0008","10.0215","0.0008","90","","90","","90","","1006.46","0.14","100","2","100","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","calcium nitride fluoride","dicalcium nitride fluoride","","- Ca2 F N -","- Ca2 F0.998 N -","- Ca32 F15.968 N16 -","16","0.0833333","BC1056","Jack, Danielle R.; Zeller, Matthias; Wagner, Timothy R.","Doubled-cubic Ca~2~NF","Acta Crystallographica Section C","2005","61","1","i6","i8","10.1107/S0108270104026666","","","0.71073","MoKα","","0.0291","0.0283","","","0.0627","0.0636","","","","","","1.387","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014613","7.0082","0.0004","7.0082","0.0004","8.6518","0.0007","90","","90","","90","","424.93","0.05","293","2","293","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","silver ruthenate(V)","Trisilver oxoruthenate(V)","","- Ag3 O4 Ru -","- Ag3 O4 Ru -","- Ag12 O16 Ru4 -","4","0.5","BC1060","Klein, Wilhelm; Jansen, Martin","Trisilver oxoruthenate(V), Ag~3~RuO~4~","Acta Crystallographica Section C","2005","61","1","i1","i2","10.1107/S0108270104030082","","","0.71073","MoKα","","0.0318","0.0311","","","0.0762","0.0776","","","","","","1.372","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014614","9.7955","0.0008","8.9781","0.0008","5.251","0.006","90","","106.033","0.007","90","","443.8","0.5","298","1","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","Ca-clinopyroxene","","Petedunnite","- Ca O6 Si2 Zn -","- Ca O6 Si2 Zn -","- Ca4 O24 Si8 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0212","","","","0.0578","","","","","","1.052","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014615","10.1659","0.0008","9.0096","0.0007","5.4369","0.0004","90","","105.181","0.004","90","","480.59","0.06","298","2","298","1","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca Ge2 O6 Zn -","- Ca Ge2 O6 Zn -","- Ca4 Ge8 O24 Zn4 -","4","0.5","BC1062","Redhammer, Günther J.; Roth, G.","A comparison of the clinopyroxene compounds CaZnSi~2~O~6~ and CaZnGe~2~O~6~","Acta Crystallographica Section C","2005","61","2","i20","i22","10.1107/S0108270104033153","","","0.71073","MoKα","","","0.0248","","","","0.0569","","","","","","1.065","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2014616","8.31058","0.00005","8.31058","0.00005","8.31058","0.00005","90","","90","","90","","573.976","0.006","298","1","298","1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","magnesium aluminum iron chromite","","","- Al0.41 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al0.4 Cr1.42 Fe0.65 Mg0.4 O4 -","- Al3.2 Cr11.36 Fe5.2 Mg3.2 O32 -","8","0.0416667","BC1063","Santos, Joab S.; Doriguetto, Antônio C.; Fernandes, Nelson G.","Magnesium aluminium chromite","Acta Crystallographica Section C","2005","61","3","i27","i28","10.1107/S0108270105000338","","","0.71073","MoKα","","0.0155","0.0151","","","0.0407","0.0408","","","","","","1.402","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014617","4.7223","0.0011","4.7223","0.0011","10.298","0.003","90","","90","","90","","229.65","0.1","293","2","293","2","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","lithium chlorite","lithium chlorate(III)","","- Cl Li O2 -","- Cl Li O2 -","- Cl4 Li4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.087","0.0466","","","0.09","0.0967","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014618","6.1446","0.0009","6.3798","0.0012","7.3755","0.0019","90","","90","","90","","289.13","0.1","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","potassium chlorite","potassium chlorate(III)","","- Cl K O2 -","- Cl K O2 -","- Cl4 K4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.0341","0.0295","","","0.0728","0.0742","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014619","6.1973","0.001","6.4757","0.001","7.5249","0.001","102.386","0.01","96.983","0.01","102.544","0.01","283.4","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","β-Digadolinium tetraborate","Digadolinium tetraborate","","- B4 Gd2 O9 -","- B4 Gd2 O9 -","- B8 Gd4 O18 -","2","1","BC1065","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of the new rare-earth oxoborate β-Gd~2~B~4~O~9~","Acta Crystallographica Section C","2005","61","2","i23","i24","10.1107/S0108270104033396","","","0.71073","MoKα","","0.036","0.0257","","","0.0472","0.0498","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014620","7.011","0.002","7.196","0.002","12.907","0.003","89.51","0.03","76.24","0.02","89.39","0.02","632.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Ag0.5 Nb2 P Rb0.38 S10 -","- Ag0.5 Nb2 P Rb0.375 S10 -","- Ag Nb4 P2 Rb0.75 S20 -","2","1","","Dong, Yongkwan; Kim, Sangrok; Yun, Hoseop","A new thiophosphate, Rb~0.38~Ag~0.5~Nb~2~PS~10~","Acta Crystallographica, Section C","2005","61","","i25","i26","10.1107/S0108270105000351","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014621","17.924","0.005","11.702","0.003","14.339","0.004","90","","112.249","0.006","90","","2783.6","1.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-4H-pyrazole)]copper(I)}","","- C22 H32 Cu2 I2 N8 -","- C22 H32 Cu2 I2 N8 -","- C88 H128 Cu8 I8 N32 -","4","0.5","BM1589","Xu, Ying; Li, Hong-Xi; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)]copper(I)}","Acta Crystallographica Section C","2005","61","1","m4","m6","10.1107/S0108270104028379","","","0.71073","MoKα","","0.0514","0.0416","","","0.0783","0.0821","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014622","13.0776","0.0006","15.1667","0.0007","22.4675","0.0011","73.557","0.002","87.49","0.002","78.807","0.002","4192.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(S,S-diphenylsulfimide)cobalt(II) diiodide diphenylsulfimide acetonitrile disolvate","","- C88 H83 Co I2 N9 S7 -","- C88 H83 Co I2 N9 S7 -","- C176 H166 Co2 I4 N18 S14 -","2","1","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0614","0.0302","","","0.0562","0.0638","","","","","","0.893","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014623","18.8566","0.0004","18.8566","0.0004","18.8566","0.0004","90","","90","","90","","6704.9","0.2","120","2","120","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","hexakis(S,S-diphenylsulfimide)iron(III) trichloride","","- C72 H66 Cl3 Fe N6 S6 -","- C72 H66 Cl3 Fe N6 S6 -","- C288 H264 Cl12 Fe4 N24 S24 -","4","0.166667","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0777","0.0462","","","0.101","0.1131","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014624","13.7287","0.0005","10.862","0.0004","18.3936","0.0006","90","","93.864","0.002","90","","2736.64","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","diiodotetrakis(S,S-diphenylsulfimide)platinum(IV) dichloride dichloromethane disolvate, [Pt(C~12~H~11~NS)~6~]Cl~2~.2CH~2~Cl~2~","","- C50 H48 Cl6 I2 N4 Pt S4 -","- C50 H48 Cl6 I2 N4 Pt S4 -","- C100 H96 Cl12 I4 N8 Pt2 S8 -","2","0.5","BM1594","Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.","The effect of hydrogen-bonding anions on the structure of metal‒sulfimide complexes","Acta Crystallographica Section C","2005","61","1","m34","m39","10.1107/S0108270104029051","","","0.71073","MoKα","","0.0481","0.0441","","","0.1393","0.1429","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014625","6.7978","0.0007","12.5513","0.0012","8.5306","0.0008","90","","96.529","0.002","90","","723.12","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-fluoroanilinium 5-sulfosalicylate monohydrate","4-fluoroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 F N O7 S -","- C13 H14 F N O7 S -","- C26 H28 F2 N2 O14 S2 -","2","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0297","0.0283","","","0.0723","0.0732","","","","","","1.028","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014626","7.455","0.004","11.849","0.007","33.848","0.019","90","","90.817","0.012","90","","2990","3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-chloroanilinium 5-sulfosalicylate hemihydrate","4-chloroanilinium 3-carboxy-4-hydroxybenzenesulfonate hemihydrate","","- C13 H13 Cl N O6.5 S -","- C13 H13 Cl N O6.5 S -","- C104 H104 Cl8 N8 O52 S8 -","8","2","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.7107","MoKα","","0.0558","0.0486","","","0.1282","0.1324","","","","","","1.207","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014627","12.781","0.0019","6.986","0.001","35.454","0.005","90","","90","","90","","3165.6","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-bromoanilinium 5-sulfosalicylate monohydrate","4-bromoanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 Br N O7 S -","- C13 H14 Br N O7 S -","- C104 H112 Br8 N8 O56 S8 -","8","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0497","0.0382","","","0.1068","0.1121","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014628","12.825","0.0013","16.2","0.0016","28.721","0.003","90","","97.318","0.002","90","","5918.6","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C60 H50 Br6 N2 P2 Pd2 S2 -","- C240 H200 Br24 N8 P8 Pd8 S8 -","4","1","BM1597","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","Bis[(diphenylsulfimido)triphenylphosphonium] di-μ-bromo-bis[dibromopalladate(II)]","Acta Crystallographica Section C","2005","61","1","m40","m42","10.1107/S0108270104029464","","","0.71073","MoKα","","0.0461","0.0356","","","0.0781","0.0815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014629","15.2885","0.0001","7.1995","0.0001","28.2539","0.0003","90","","94.077","0.0004","90","","3102.02","0.06","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","","- C9 H14 Cl4 Co N4 -","- C9 H14 Cl4 Co N4 -","- C72 H112 Cl32 Co8 N32 -","8","1","BM1598","Zeller, A.; Herdtweck, E.; Strassner, T.","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrachlorocobaltate(II)","Acta Crystallographica Section C","2005","61","1","m46","m47","10.1107/S0108270104030471","","","0.71073","MoKα","","0.0314","0.0263","","","0.0646","0.0667","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014630","13.7562","0.0015","8.4253","0.0009","9.4761","0.001","90","","97.368","0.002","90","","1089.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0408","0.0308","","","0.0869","0.0936","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014631","8.4792","0.0013","9.6152","0.0015","26.864","0.004","90","","90","","90","","2190.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0979","0.0662","","","0.1531","0.1988","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014632","12.2627","0.0011","27.86","0.002","12.2402","0.0011","90","","114.438","0.002","90","","3807.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","","- C48 H40 B N S Se -","- C48 H40 B N S Se -","- C192 H160 B4 N4 S4 Se4 -","4","1","BM1600","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","<i>N</i>-(Diphenylselenio)diphenylsulfimidium tetraphenylborate","Acta Crystallographica Section C","2005","61","2","o112","o113","10.1107/S0108270104033505","","","0.71073","MoKα","","0.0512","0.0426","","","0.1118","0.1157","","","","","","1.02","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014633","6.2384","0.0005","9.8255","0.0007","12.5432","0.0009","69.344","0.001","78.054","0.001","79.396","0.001","698.64","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Leu-Phe*","3-benzylidene-6-isobutylpiperazine-2,5-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","2","BM1602","Bagaria, A.; Ramakumar, S.; Gupta, M.; Chauhan, V. S.","Cyclo(<small>L</small>-leucyl-α,β-dehydrophenylalanine): the first diketopiperazine containing an α,β-dehydrophenylalanine residue","Acta Crystallographica Section C","2005","61","3","o174","o176","10.1107/S0108270105001629","","","0.71073","MoKα","","0.049","0.045","","","0.11","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014634","7.6642","0.0008","7.9235","0.0008","15.6651","0.0016","81.177","0.002","79.128","0.002","89.983","0.002","922.77","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","","- C12 H18 Cl4 N4 Zn -","- C12 H18 Cl4 N4 Zn -","- C24 H36 Cl8 N8 Zn2 -","2","1","DN1068","Zhi-Min Jin; Nan Shun; Ya-Ping Lü; Mao-Lin Hu; Liang Shen","Bis(2-amino-6-methylpyridinium) tetrachlorozincate(II)","Acta Crystallographica Section C","2005","61","1","m43","m45","10.1107/S0108270104030458","","","0.71073","MoKα","","0.0396","0.0333","","","0.0832","0.0872","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014635","12.936","0.003","33.696","0.008","10.604","0.003","90.35","0.01","120.67","0.01","89.6","0.01","3975.5","1.8","174","2","174","2","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","4'-Hydroxybiphenyl-4-carbonitrile","","- C13 H9 N O -","- C13 H9 N O -","- C208 H144 N16 O16 -","16","","DN1069","Britton, Doyle","4'-Hydroxybiphenyl-4-carbonitrile","Acta Crystallographica Section C","2005","61","1","o35","o37","10.1107/S010827010403046X","","","0.71073","MoKα","","0.071","0.055","","","0.114","0.119","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014636","6.6556","0.0007","7.8062","0.0008","9.669","0.001","75.043","0.002","86.534","0.002","79.042","0.002","476.45","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8-Hydroxy-2-methylquinoline-7-carboxylic acid monohydrate","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C22 H22 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.043","0.0371","","","0.1052","0.1089","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014637","7.1089","0.0004","9.4102","0.0005","9.623","0.0005","96.719","0.001","110.184","0.001","107.941","0.001","556.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C22 H24 Cl2 N2 O8 -","2","1","DN1072","Firley, Delphine; Fraisse, Bernard; Zouhiri, Fatima; Spasojević-de Biré, Anne; Desmaële, Didier; d'Angelo, Jean; Ghermani, Nour Eddine","7-Carboxylato-8-hydroxy-2-methylquinolinium monohydrate and 7-carboxy-8-hydroxy-2-methylquinolinium chloride monohydrate at 100K","Acta Crystallographica Section C","2005","61","3","o154","o157","10.1107/S0108270104031403","","","0.71073","MoKα","","0.0344","0.0301","","","0.0837","0.0862","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014638","8.8959","0.0016","8.9014","0.0016","8.9288","0.0016","88.895","0.015","87.795","0.015","66.667","0.014","648.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","DN1073","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Odabaşoglu, Mustafa; Büyükgüngör, Orhan","3-Acetoxy-2-(acetylamino)pyridinium-1-squarate","Acta Crystallographica Section C","2005","61","3","o148","o150","10.1107/S0108270104031841","","","0.71073","MoKα","","0.1349","0.069","","","0.1344","0.154","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014639","7.312","0.005","14.774","0.005","10.902","0.005","90","","95.076","0.005","90","","1173.1","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[N-(2-hydroxyethyl)ethylendiamine-κ^3^N,N',O] cis-bis(isothiocyanato-κN)copper(II)","","- C6 H12 Cu N4 O S2 -","- C6 H12 Cu N4 O S2 -","- C24 H48 Cu4 N16 O4 S8 -","4","1","FA1084","Pas̨aoǧlu, Hümeyra; Karadaǧ, Ahmet; Tezcan, Fatma; Büyükgüngör, Orhan","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]-<i>cis</i>-bis(isothiocyanato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","2","m93","m94","10.1107/S0108270104033803","","","0.71069","MoKα","","0.0459","0.0311","","","0.0556","0.0585","","","","","","0.899","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014640","7.777","0.002","11.575","0.003","20.16","0.005","90","","90","","90","","1814.8","0.8","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-methoxymethyl-1-(ferrocenylmethyl)pyrrolidinium iodide","","- C17 H24 Fe I N O -","- C17 H24 Fe I N O -","- C68 H96 Fe4 I4 N4 O4 -","4","1","FA1094","Palusiak, Marcin; Janowska, Izabela; Zakrzewski, Janusz; Grabowski, Sławomir J.","Charge-assisted N—H···I and C—H···I hydrogen bonding in (1<i>R</i>,2<i>S</i>)-1-(ferrocenylmethyl)-2-(methoxymethyl)pyrrolidinium iodide","Acta Crystallographica Section C","2005","61","1","m55","m57","10.1107/S0108270104027581","","","0.71073","MoKα","","","0.0241","","","","0.0436","","","","","","0.815","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014641","8.4148","0.0012","8.731","0.0016","9.8916","0.0016","102.177","0.016","104.587","0.012","113.166","0.013","606.1","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis{[η^2^-3-(3-amino-1-pyridinio)propene]copper(I)}-di-μ-chloro- copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","","- C16 H12 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","- C16 H22 Cl6 Cu4 N4 -","1","0.5","FA1102","Goreshnik, Evgeny; Schollmeyer, Dieter; Mys'kiv, Marian","<i>catena</i>-Poly[bis[(η^2^-1-allyl-3-aminopyridinium)copper(I)]-di-μ-chloro-copper(I)-di-μ-chloro-copper(I)-di-μ-chloro]","Acta Crystallographica Section C","2005","61","3","m127","m129","10.1107/S0108270105000806","","","1.54178","CuKα","","0.0713","0.06","","","0.1633","0.1747","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014642","12.115","0.003","12.225","0.004","15.71","0.003","90","","90","","90","","2326.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nimbolide","(4α,5α,6α,7α,15β,17α)-7,15:21,23-diepoxy-6 -hydroxy-4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,13,20,22-tetraene- 4,11-dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","1.54178","CuKα","","0.0841","0.0585","","","0.162","0.1832","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014643","9.026","0.002","14.009","0.018","18.495","0.005","90","","90","","90","","2339","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isonimbolide","(4α,5α,6α,7α,15α)-7,15:21,23-diepoxy-6-hydroxy- 4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,16,20,22-tetraene-4,11- dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","0.71073","MoKα","","0.2353","0.0655","","","0.1429","0.1976","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014644","8.7458","0.0015","9.2177","0.0014","9.7938","0.0015","96.339","0.012","105.022","0.014","100.649","0.013","738.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-N-isopropylbenzamidinium chloride ethanol solvate","","- C12 H22 Cl N3 O -","- C12 H22 Cl N3 O -","- C24 H44 Cl2 N6 O2 -","2","1","FA1107","Jarak, Ivana; Karminski - Zamola, Grace; Pavlović, Gordana; Popović, Zora","4-Amino-<i>N</i>-isopropylbenzamidinium chloride ethanol solvate","Acta Crystallographica Section C","2005","61","2","o98","o100","10.1107/S0108270104033281","","","0.71073","MoKα","","0.0624","0.0467","","","0.1333","0.1447","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014645","9.5092","0.0002","19.1979","0.0002","20.6024","0.0005","90","","96.88","0.001","90","","3734.02","0.13","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","28,31,36,39-tetraoxa-9,17,42-pentaaza-1,25- diazoniapentacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane bis(perchlorate)","","- C33 H43 Cl2 N5 O12 -","- C33 H43 Cl2 N5 O12 -","- C132 H172 Cl8 N20 O48 -","4","0.5","FA1108","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A Schiff base lateral macrobicycle derived from 4,13-diaza-18-crown-6 in its protonated form","Acta Crystallographica Section C","2005","61","2","o92","o94","10.1107/S0108270104033657","","","0.71073","MoKα","","0.1122","0.0678","","","0.1836","0.2143","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014646","9.2411","0.0009","16.934","0.002","17.9235","0.0018","90","","90","","90","","2804.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N-tosyl-L-glutamic acid","(+)-N-[(4-methylphenyl)sulfonyl]-L-glutamic acid","","- C12 H15 N O6 S -","- C12 H15 N O6 S -","- C96 H120 N8 O48 S8 -","8","2","FA1112","Zachara, Janusz; Madura, Izabela; Hajmowicz, Halina; Synoradzki, Ludwik","The hydrogen-bonding network in (+)-<i>N</i>-tosyl-<small>L</small>-glutamic acid","Acta Crystallographica Section C","2005","61","3","o181","o184","10.1107/S0108270105002088","","","0.71073","MoKα","","0.0315","0.0276","","","0.0727","0.0747","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014647","4.738","0.004","8.954","0.009","9.073","0.01","108.33","0.04","92.84","0.04","99.98","0.04","357.6","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","azopyridine‒succinic acid (1/1)","di-4-pyridyldiazene‒succinic acid (1/1)","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","1","0.5","FG1785","Zhang, Jing; Ye, Ling; Wu, Li-Xin","Hydrogen-bonded azopyridine and succinic acid co-crystal","Acta Crystallographica Section C","2005","61","1","o38","o40","10.1107/S0108270104030392","","","0.71073","MoKα","","0.0516","0.0426","","","0.123","0.1384","","","","","","1.144","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014648","9.3142","0.0019","10.315","0.002","12.169","0.002","87.87","0.03","84.04","0.03","68.68","0.03","1083.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]- μ~3~-p-phenylenebis(oxyacetato)-κ^3^O:O':O''] dihydrate]","","- C20 H22 Mn N2 O9 -","- C20 H22 Mn N2 O9 -","- C40 H44 Mn2 N4 O18 -","2","1","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.04","0.036","","","0.091","0.094","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014649","5.3754","0.0011","5.9136","0.0012","11.236","0.002","85.83","0.03","82.01","0.03","83.54","0.03","350.86","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","poly[[di-μ-aqua-bis[aquasodium(I)]]-μ~4~-p-phenylenebis(oxyacetato)- κO:O',O'':O''',O'''':O''''']","","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","- C10 H16 Na2 O10 -","1","0.5","FG1790","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","Two two-dimensional Mn^II^ and Na^I^ coordination polymers constructed by the flexible benzene-1,4-dioxyacetate ligand","Acta Crystallographica Section C","2005","61","1","m25","m29","10.1107/S0108270104029531","","","0.71073","MoKα","","0.041","0.037","","","0.096","0.099","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014650","9.9034","0.001","10.9374","0.0009","16.408","0.002","90","","102.252","0.005","90","","1736.8","0.3","150.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine- 2-carboxylato]","","- C16 H14 Cl Mn N3 O3 -","- C16 H14 Cl Mn N3 O3 -","- C64 H56 Cl4 Mn4 N12 O12 -","4","1","FG1797","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Sugimoto, Sayuri; Maekawa, Masahiko; Munakata, Megumu","<i>catena</i>-Poly[[chlorodipyridinemanganese(II)]-μ~3~-6-oxo-1,6-dihydropyridine-2-carboxylato]","Acta Crystallographica Section C","2005","61","3","m144","m146","10.1107/S0108270105002684","","","0.7107","MoKα","","","0.03","","","","0.0619","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014651","9.202","0.009","17.136","0.016","11.087","0.009","90","","92.53","0.03","90","","1747","3","296.1","","296.1","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate","","- C20 H17 N3 O3 Pd -","- C20 H17 N3 O3 Pd -","- C80 H68 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71075","MoKα","","0.0225","0.0194","","","0.0528","0.0537","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014652","12.168","0.009","11.5","0.01","13.195","0.008","90","","94.94","0.03","90","","1840","2","296.1","","296.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(di-2-pyridylamine-κ^2^N,N')(2-oxidonaphthalene-3-carboxylato- κ^2^O,O')palladium(II)","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","1","FG1798","Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe","(Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2005","61","2","m67","m70","10.1107/S010827010403197X","","","0.71073","MoKα","","0.0329","0.0218","","","0.048","0.0489","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014653","11.337","0.005","11.337","0.005","9.91","0.005","90","","90","","120","","1103.1","0.9","293","","293","","","","","","","","","6","P 63","P 6c","173","Tris[(R)-lactamide-κ^2^O,O']zinc(II) tetrabromozincate","Tris[(R)-2-hydroxypropanamide-κ^2^O,O']zinc(II) tetrabromozincate","","- C9 H21 Br4 N3 O6 Zn2 -","- C9 H21 Br4 N3 O6 Zn2 -","- C18 H42 Br8 N6 O12 Zn4 -","2","0.333333","FG1801","Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard","Tris[(<i>R</i>)-lactamide-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetrabromozincate","Acta Crystallographica Section C","2005","61","2","m76","m77","10.1107/S0108270104032512","","","0.71073","MoKα","","0.0711","0.0435","","","0.0788","0.0878","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014654","19.28","0.005","9.715","0.003","18.05","0.005","90","","109.509","0.005","90","","3186.8","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","","- C15 H9 Cl F3 N O5 -","- C15 H9 Cl F3 N O5 -","- C120 H72 Cl8 F24 N8 O40 -","8","2","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.1836","0.0546","","","0.1202","0.1632","","","","","","0.872","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014655","14.326","0.013","7.802","0.007","14.337","0.013","90","","110.599","0.015","90","","1500","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin- 1-yl]benzoate","","- C14 H10 Cl F3 N2 O4 -","- C14 H10 Cl F3 N2 O4 -","- C56 H40 Cl4 F12 N8 O16 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.056","0.0389","","","0.1035","0.1151","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014656","22.887","0.009","7.25","0.003","9.497","0.004","90","","90","","90","","1575.8","1.1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine- 2,6-dione","","- C15 H10 Cl F4 N O3 -","- C15 H10 Cl F4 N O3 -","- C60 H40 Cl4 F16 N4 O12 -","4","1","FG1802","Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng","Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors","Acta Crystallographica Section C","2005","61","2","o122","o126","10.1107/S0108270105000545","","","0.71073","MoKα","","0.0689","0.0465","","","0.1124","0.1236","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014657","9.313","0.005","9.38","0.005","10.485","0.006","99.663","0.009","104.263","0.009","112.778","0.008","782.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-1,3,4,5,6,7- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C34 H26 Cl2 F2 N2 O6 -","2","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0632","0.0426","","","0.1006","0.1113","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014658","22.712","0.015","7.474","0.005","18.655","0.012","90","","99.061","0.011","90","","3127","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-cis-1,3,3a,4,7,7a- hexahydroisoindole-1,3-dione","","- C17 H13 Cl F N O3 -","- C17 H13 Cl F N O3 -","- C136 H104 Cl8 F8 N8 O24 -","8","1","FG1803","Bin Li; Hai-Bin Song; Chi-Tung Hsu; Ke-Liang Zhang; Chao Wu; Hua-Zheng Yang","Two isomeric 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]hexahydroisoindole-1,3-dione compounds","Acta Crystallographica Section C","2005","61","2","o114","o117","10.1107/S0108270104034146","","","0.71073","MoKα","","0.0992","0.0595","","","0.1345","0.1553","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014659","7.112","0.001","14.676","0.003","12.145","0.002","90","","96.65","0.03","90","","1259.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[copper(II)-μ-5-carboxy-1H-imidazole-4-carboxylato],","","- C10 H6 Cu N4 O8 -","- C10 H6 Cu N4 O8 -","- C40 H24 Cu4 N16 O32 -","4","1","FG1804","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","A three-dimensional supramolecular network built with the zigzag chain complex bis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato)copper(II)","Acta Crystallographica Section C","2005","61","2","m98","m100","10.1107/S0108270104034158","","","0.71073","MoKα","","0.0616","0.0408","","","0.0948","0.1009","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014660","8.726","0.0017","11.295","0.002","16.284","0.003","90.16","0.03","96.76","0.03","103.85","0.03","1546.7","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","[μ-2,2'-(1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^:N^3'^]bis{[2,2'- (1,4-butanediyl)bis(1H-benzimidazole)-κ^2^N^3^,N^3'^](nitrato-κO)cobalt(II)} dinitrate ethanol disolvate","","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","- C58 H66 Co2 N16 O14 -","1","0.5","FG1805","Jin Yang; Jian-Fang Ma; Ying-Ying Liu","A dinuclear complex of cobalt(II) with 2,2'-(1,4-butanediyl)dibenzimidazole","Acta Crystallographica Section C","2005","61","2","m101","m103","10.1107/S0108270105000478","","","0.71073","MoKα","","0.0661","0.0402","","","0.0849","0.0892","","","","","","0.906","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014661","9.4512","0.0019","10.583","0.002","9.5998","0.0019","90","","113.9","0.03","90","","877.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","","- C20 H18 Mn N4 O4 -","- C20 H18 Mn N4 O4 -","- C40 H36 Mn2 N8 O8 -","2","0.5","FG1807","Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[bis(pyridin-3-ol)manganese(II)]-di-μ-pyridin-3-olato]","Acta Crystallographica Section C","2005","61","3","m133","m135","10.1107/S0108270105001101","","","0.71073","MoKα","","0.0307","0.0289","","","0.0935","0.0949","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014662","8.547","0.002","10.308","0.002","10.611","0.002","91.654","0.004","100.667","0.004","93.623","0.003","916.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carboxaldehyde","","- C17 H20 Br Cl N2 O3 -","- C17 H20 Br Cl N2 O3 -","- C34 H40 Br2 Cl2 N4 O6 -","2","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.0869","0.0549","","","0.1492","0.1697","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014663","12.4899","0.0005","9.4887","0.0003","14.1018","0.0005","90","","94.319","0.001","90","","1666.5","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole- 5-carboxaldehyde","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","1","FG1810","Nagaraj, B.; Narasimhamurthy, T.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Rathore, Ravindranath S.","C—halogen···π dimer and C—H···π interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1<i>H</i>-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1<i>H</i>-imidazole-5-carbaldehyde","Acta Crystallographica Section C","2005","61","3","o177","o180","10.1107/S0108270105001794","","","0.71073","MoKα","","0.046","0.0388","","","0.0995","0.1058","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014664","12.813","0.004","13.349","0.004","14.381","0.005","89.282","0.005","79.966","0.004","89.837","0.004","2421.9","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","Poly[tetrasodium(I)-tetra-μ~2~-bis(butanedioxy)borato-μ~2~-butanediol]","","- C9 H18.5 B Na O4.5 -","- C9 H18.5 B Na O4.5 -","- C72 H148 B8 Na8 O36 -","8","4","FG1811","Gainsford, Graeme J.; Kemmitt, Tim","Poly[tetrasodium(I)-tetra-μ~2~-bis(butane-1,4-diyldioxy)borato-μ~2~-1,4-butanediol]","Acta Crystallographica Section C","2005","61","3","m136","m138","10.1107/S0108270105002520","","","0.71073","MoKα","","0.0818","0.0603","","","0.1436","0.1538","","","","","","0.992","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2014665","5.7754","0.0008","7.9446","0.0012","30.044","0.005","90","","93.807","0.012","90","","1375.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Dimethylgenistein","5-hydroxy-4',7-dimethoxyisoflavone","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","FR1473","Zun-Ting Zhang; Xiao-Bing Wang; Qian-Guang Liu; Jian-Bin Zheng; Kai-Bai Yu","Hydrogen bonding and π‒π stacking in dimethylgenistein","Acta Crystallographica Section C","2005","61","1","o29","o31","10.1107/S0108270104009758","","","0.71073","MoKα","","0.054","0.0347","","","0.0817","0.0866","","","","","","0.903","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014666","11.707","0.002","5.4487","0.001","9.6477","0.0019","90","","126.155","0.008","90","","496.89","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cobalt oxalate dihydrate","catena-Poly[[diaquacobalt(II)]-μ-oxalato]","","- C2 H4 Co O6 -","- C2 H4 Co O6 -","- C8 H16 Co4 O24 -","4","0.5","FR1511","Bacsa, John; Eve, Desmond; Dunbar, Kim R.","<i>catena</i>-Poly[[diaquacobalt(II)]-μ-oxalato]","Acta Crystallographica Section C","2005","61","1","m58","m60","10.1107/S0108270104030409","","","0.71073","MoKα","","0.0334","0.032","","","0.0877","0.0888","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014667","18.0977","0.0012","37.603","0.003","12.9239","0.0009","90","","90","","90","","8795.1","1.1","213","2","213","2","","","","","","","","8","P n n a","-P 2a 2bc","52","Ru2(DPhF)3(OOCMe)(MeCN)(BF4),0.5CH2CL2","(μ-acetato)acetonitriletris(μ-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C43.5 H40 B Cl F4 N7 O2 Ru2 -","- C348 H320 B8 Cl8 F32 N56 O16 Ru16 -","8","1","FR1512","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping","A paramagnetic precursor for polymeric supramolecular assemblies based on multiply bonded dimetal units: μ-acetato-acetonitriletris(μ-<i>N</i>,<i>N</i>'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m71","m73","10.1107/S0108270104032408","","","0.71073","MoKα","","0.0753","0.0563","","","0.1348","0.1443","","","","","","1.81","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014668","15.2123","0.0014","14.7393","0.0013","8.955","0.0008","90","","104.649","0.002","90","","1942.6","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^O:O'-bis[(N^1^,N^2^-di-p-anisylformamidine- κN^2^)ruthenium(II)](Ru—Ru)","","- C38 H44 N4 O12 Ru2 -","- C38 H44 N4 O12 Ru2 -","- C76 H88 N8 O24 Ru4 -","2","0.5","FR1513","Angaridis, Panagiotis; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiao-Ping","Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(<i>N</i>^1^,<i>N</i>^2^-di-<i>p</i>-anisylformamidine-κ<i>N</i>^2^)ruthenium(II)](<i>Ru{—</i>Ru}): an example of an axial bis-adduct of {Ru~2~}^4+^ tetracarboxylate with N-donor ligands","Acta Crystallographica Section C","2005","61","2","m109","m111","10.1107/S0108270104032494","","","0.71073","MoKα","","0.0755","0.0473","","","0.1112","0.134","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014669","15.526","0.004","11.521","0.004","11.828","0.006","90","","98.423","0.015","90","","2092.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(trichlorogermyl)propionic acid","3,3-dimethyl-3-(trichlorogermyl)propionic acid","","- C5 H9 Cl3 Ge O2 -","- C5 H9 Cl3 Ge O2 -","- C40 H72 Cl24 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.072","0.034","","","0.069","0.079","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014670","7.785","0.001","15.678","0.002","32.703","0.005","90","","96.668","0.005","90","","3964.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(triphenylgermyl)propionic acid","3,3-dimethyl-3-(triphenylgermyl)propionic acid","","- C23 H24 Ge O2 -","- C23 H24 Ge O2 -","- C184 H192 Ge8 O16 -","8","2","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.076","0.04","","","0.079","0.093","","","","","","1.01","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014671","20.041","0.003","9.37","0.002","12.816","0.005","90","","108.436","0.009","90","","2283.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","3,3-dimethyl-3-(tri-p-tolylgermyl)propionic acid","","- C26 H30 Ge O2 -","- C26 H30 Ge O2 -","- C104 H120 Ge4 O8 -","4","1","FR1515","Parvez, Masood; Khosa, Kaleem M.; Mazhar, Muhammad; Ali, Saqib; Sohail, Manzar","3-Germyl-3,3-dimethylpropionic acid derivatives","Acta Crystallographica Section C","2005","61","1","m51","m54","10.1107/S0108270104030963","","","0.71073","MoKα","","0.079","0.04","","","0.083","0.095","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014672","6.1251","0.0012","7.3258","0.0015","10.456","0.002","93.35","0.03","91.28","0.03","96","0.03","465.62","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene","","- C24 H18 N4 -","- C24 H18 N4 -","- C24 H18 N4 -","1","0.5","FR1518","Gao, En-Qing","1,4-Diphenyl-1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene: weak C—H···N and C—H···π hydrogen bonds","Acta Crystallographica Section C","2005","61","2","o110","o111","10.1107/S0108270104034079","","","0.71073","MoKα","","0.0591","0.0411","","","0.1003","0.1095","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014673","17.0906","0.0013","5.9866","0.0003","15.6784","0.0015","90","","108.496","0.007","90","","1521.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylamino-3-(4-methylbenzyl)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.0586","0.039","","","0.0988","0.1059","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014674","16.8511","0.0019","5.996","0.005","17.65","0.002","90","","109.403","0.009","90","","1682.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methylbenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C18 H20 N4 O -","- C18 H20 N4 O -","- C72 H80 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.1131","0.0412","","","0.0694","0.0776","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014675","16.5043","0.001","17.4355","0.0013","5.919","0.003","90","","90","","90","","1703.3","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Chlorobenzyl)-4-(4-methylbenzylamino)-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C68 H68 Cl4 N16 O4 -","4","1","FR1519","Yilmaz, Veysel T.; Kazak, Canan; Ağar, Erbil; Kahveci, Bahittin; Guven, Kutalmis","Three 1,2,4-triazole derivatives containing subtituted benzyl and benzylamino groups","Acta Crystallographica Section C","2005","61","2","o101","o104","10.1107/S0108270104033931","","","0.71073","MoKα","","0.072","0.0314","","","0.0479","0.0532","","","","","","0.739","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014676","15.4015","0.0008","5.524","0.0003","22.1182","0.0011","90","","110.367","0.002","90","","1764.13","0.16","298","2","305","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2',4,4',6,6'-Hexanitroazobenzene (HNAB-III)","bis(2,4,6-trinitrophenyl)diazene","","- C12 H4 N8 O12 -","- C12 H4 N8 O12 -","- C48 H16 N32 O48 -","4","2","GA1037","Mark A. Rodriguez; Charles F. Campana; A. David Rae; Edward Graeber; Bruno Morosin","Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III)","Acta Crystallographica Section C","2005","61","3","o127","o130","10.1107/S0108270105000569","","","0.71073","MoKα","","0.0771","0.0377","","","0.0706","0.0856","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014677","13.621","0.003","12.461","0.002","7.232","0.001","90","","93.62","0.03","90","","1225","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4'-(propane-2,2-diyl)diphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1076","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr; Dziwinski, Euzebiusz","2,4'-Isopropylidenediphenol","Acta Crystallographica Section C","2005","61","1","o45","o46","10.1107/S010827010403015X","","","0.71069","MoKα","","0.067","0.0425","","","0.1105","0.1364","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014678","7.888","0.0015","14.591","0.003","12.955","0.002","90","","91.799","0.003","90","","1490.3","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro(η^6^-ethoxyphenyl){(1R,2R)-N-(p-toluenesulfonyl)- 1,2-diphenylethylenediamino}ruthenium(II) methanol solvate","","- C30 H35 Cl N2 O4 Ru S -","- C30 H35 Cl N2 O4 Ru S -","- C60 H70 Cl2 N4 O8 Ru2 S2 -","2","1","GA1080","Soleimannejad, Janet; Adams, Harry; White, Colin","[(1<i>R</i>,2<i>R</i>)-2-Amino-1,2-diphenyl-<i>N</i>-(<i>p</i>-tolylsulfonyl)ethylamido]chloro(η^6^-ethoxybenzene)ruthenium(II) methanol solvate","Acta Crystallographica Section C","2005","61","3","m125","m126","10.1107/S0108270104033815","","","0.71073","MoKα","","0.0553","0.0386","","","0.0773","0.0829","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014679","11.537","0.004","16.729","0.003","16.882","0.004","90","","95.96","0.02","90","","3240.7","1.5","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^S,P,S']germanium(IV)","","- C36 H26 Ge P2 S4 -","- C36 H26 Ge P2 S4 -","- C144 H104 Ge4 P8 S16 -","4","1","GA1085","Chiang, Michael Y.; Lin, Jing-Wei; Zeng, Wen-Feng","Bis[2,2'-(phenylphosphinediyl)dibenzenethiolato-κ^3^<i>S</i>,<i>P</i>,<i>S</i>']germanium(IV)","Acta Crystallographica Section C","2005","61","2","m84","m86","10.1107/S0108270104033256","","","0.71069","MoKα","","","0.0329","","","","0.0939","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014680","7.995","0.002","9.465","0.002","11.899","0.002","92.12","0.03","98.96","0.03","106.28","0.03","850.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-ethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.1108","0.044","","","0.1037","0.1253","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014681","11.769","0.002","15.404","0.003","10.125","0.002","90","","115.18","0.03","90","","1661.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-dimethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","GA1086","Sikorski, Artur; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy","2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","1","o50","o52","10.1107/S0108270104030537","","","0.71073","MoKα","","0.0957","0.0362","","","0.0906","0.103","","","","","","0.916","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014682","7.3195","0.0007","15.5186","0.0014","16.424","0.0015","90","","94.182","0.002","90","","1860.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N2 O5 Re -","- C18 H16 Br N2 O5 Re -","- C72 H64 Br4 N8 O20 Re4 -","4","1","GA1088","Wei, Lihui; Zubieta, Jon","<i>fac</i>-Bromotricarbonyl[2-(2-pyridylmethyl)-2,3-dihydro-1<i>H</i>-isoindol-1-one]rhenium(I) methanol solvate","Acta Crystallographica Section C","2005","61","2","m95","m97","10.1107/S0108270104029592","","","0.71073","MoKα","","0.0348","0.0281","","","0.0606","0.0634","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014683","6.6513","0.0008","9.603","0.005","21.481","0.003","90","","90","","90","","1372","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N5 O4 -","- C12 H17 N5 O4 -","- C48 H68 N20 O16 -","4","1","GA1089","Seela, Frank; Zhang, Yun-Long; Xu, Kui-Ying; Eickmeier, Henning","7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate","Acta Crystallographica Section C","2005","61","1","o60","o62","10.1107/S0108270104029476","","","0.71073","MoKα","","0.1252","0.0583","","","0.094","0.1131","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014684","8.7169","0.0005","11.2997","0.0005","9.794","0.0005","90","","104.534","0.004","90","","933.82","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl (2-pyridylmethyl)phosphonate","","- C8 H12 N O3 P -","- C8 H12 N O3 P -","- C32 H48 N4 O12 P4 -","4","1","GA1090","Chęcińska, Lilianna; Małecka, Magdalena; Aranowska, Katarzyna; Ochocki, Justyn","Ethyl (2-pyridylmethyl)phosphonate","Acta Crystallographica Section C","2005","61","1","o4","o6","10.1107/S0108270104029221","","","1.54178","CuKα","","0.0631","0.0455","","","0.1258","0.1338","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014685","7.2209","0.0006","9.6252","0.0007","15.0478","0.0012","98.251","0.001","92.279","0.001","94.196","0.001","1030.92","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[aqua(1,10-phenanthroline-κ^2^N,N')lead(II)]- di-μ^3^-5-carboxy-3-sulfonatobenzoato- 1:2:1'κ^4^O^3^:O^1^,O^1'^:O^1^;2':1:2κ^4^O^1^:O^1^,O^1'^:O^3^] dihydrate]","","- C20 H16 N2 O9 Pb S -","- C20 H16 N2 O9 Pb S -","- C40 H32 N4 O18 Pb2 S2 -","2","1","GA1091","Li, Xin-Hua; Xiao, Hong-Ping; Zhang, Qiao; Hu, Mao-Lin","<i>catena</i>-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-di-μ~3~-5-carboxy-3-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","3","m130","m132","10.1107/S0108270105000132","","","0.71073","MoKα","","0.0255","0.0238","","","0.0576","0.0583","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014686","16.888","0.005","11.722","0.005","20.258","0.007","90","","112.483","0.005","90","","3705","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","","- C34 H32 Cd2 N4 O14 S2 -","- C34 H32 Cd2 N4 O14 S2 -","- C136 H128 Cd8 N16 O56 S8 -","4","0.5","GD1351","Su, Wei; Bi, Wen-Hua; Li, Xing; Cao, Rong","A novel three-dimensional supramolecular coordination polymer: poly[[diaquadicadmium(II)-di-μ~2~-4,4'-bipyridyl-di-μ~2~-2-sulfonatobenzoato] dihydrate]","Acta Crystallographica Section C","2005","61","1","m16","m18","10.1107/S0108270104028434","","","0.71073","MoKα","","0.0288","0.0267","","","0.0588","0.0599","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014687","12.76","0.008","13.346","0.009","19.758","0.013","91.619","0.012","97.925","0.011","106.44","0.01","3188","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","di-μ-4-methylbenzoato-κ^4^O:O'-bis[bis(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)] tetra-μ-4-methylbenzoato-κ^8^O:O'-bis[(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)]","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","GD1354","Li, Xia; Zhang, Zhuo-Yong; Wang, Dao-Yong; Song, Hai-Bin; Zou, Ying-Quan","Dimeric hexakis(4-methylbenzoato)bis(1,10-phenanthroline)didysprosium(III)","Acta Crystallographica Section C","2005","61","2","m81","m83","10.1107/S0108270104032585","","","0.71073","MoKα","","0.0811","0.0434","","","0.0906","0.1214","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014688","7.8016","0.0008","7.6538","0.0009","16.5597","0.0017","90","","93.966","0.009","90","","986.44","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium chlorate(VII) monohydrate","","- C21 H25 Cl N2 O7 -","- C21 H25 Cl N2 O7 -","- C42 H50 Cl2 N4 O14 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0733","0.0545","","","0.1318","0.1401","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014689","7.7884","0.0008","7.6686","0.0008","17.578","0.0018","90","","100.388","0.007","90","","1032.66","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium hydrogen sulphate (VI) dihydrate","","- C21 H28 N2 O8 S -","- C21 H28 N2 O8 S -","- C42 H56 N4 O16 S2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.054","0.0466","","","0.1181","0.1257","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014690","7.6407","0.0012","7.6624","0.0009","17.992","0.002","90","","91.203","0.012","90","","1053.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Strychninium dihydrogen phosphate(V) dihydrate","","- C21 H29 N2 O8 P -","- C21 H29 N2 O8 P -","- C42 H58 N4 O16 P2 -","2","1","GD1357","Agata Białońska; Zbigniew Ciunik","Similar environments for the ClO~4~^{-^}, HSO~4~^{-^} and H~2~PO~4~^{-^} anions offered by strychnine self-assemblies","Acta Crystallographica Section C","2005","61","3","o161","o164","10.1107/S0108270105001034","","","0.71073","MoKα","","0.0851","0.0542","","","0.0753","0.0826","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014691","16.993","0.003","22.455","0.005","13.391","0.003","90","","103.48","0.03","90","","4968.9","1.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-Dibenzyl-4,13-diaza-18-crown-6","7,16-Dibenzyl-1,4,10,13-tetraoxo-7,16-diazacyclooctadecane","","- C26 H38 N2 O4 -","- C26 H38 N2 O4 -","- C208 H304 N16 O32 -","8","2","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.1355","0.0764","","","0.1257","0.1411","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014692","7.929","0.0006","9.387","0.0006","11.607","0.0007","69.342","0.004","72.226","0.004","81.48","0.004","768.98","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis tetrafluoroborate monohydrate","","- C26 H40 B2 F8 N2 O4.2 -","- C26 H40 B2 F8 N2 O4.204 -","- C26 H40 B2 F8 N2 O4.204 -","1","0.5","GD1362","Basok, Stepan S.; Croitoru Lilia; Fonari, Marina S.; Ganin, Eduard V.; Gelmboldt, Vladimir O.; Lipkowski, Janusz; Simonov, Yurii A.","A new phase of 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, and 7,16-dibenzyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(tetrafluoroborate) monohydrate, both determined at 123K","Acta Crystallographica Section C","2005","61","3","o188","o192","10.1107/S010827010500260X","","","0.71073","MoKα","","0.0542","0.0406","","","0.0972","0.1023","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014693","16.5198","0.0016","7.3512","0.0007","7.6309","0.0006","90","","107.06","0.01","90","","885.92","0.15","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","","- C16 H14 Cd N6 Ni -","- C16 H14 Cd N6 Ni -","- C32 H28 Cd2 N12 Ni2 -","2","0.25","GD1364","Aygün, Muhittin; Utlu, Gökhan; Gökçe, Aytaç Gürhan; Akyüz, Sevim; Özbey, Süheyla","The two-dimensional coordination polymer poly[[bis(3-methylpyridine)cadmium(II)]-tetra-μ-cyano-nickel(II)]","Acta Crystallographica Section C","2005","61","3","m117","m118","10.1107/S0108270105000636","","","0.71073","MoKα","","0.0296","0.0283","","","0.0828","0.0843","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014694","13.653","0.004","13.637","0.005","11.893","0.004","90","","112.19","0.03","90","","2050.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,5-tri-tert-butyl-2,4-difluoro-6-phenylcyclotriborazane","","- C18 H32 B3 F2 N3 -","- C18 H32 B3 F2 N3 -","- C72 H128 B12 F8 N12 -","4","0.5","GG1227","Chivers, Tristram; Fedorchuck, Chantall; Parvez, Masood","An asymmetrically substituted borazine","Acta Crystallographica Section C","2005","61","1","o47","o49","10.1107/S0108270104030410","","","0.71069","MoKα","","0.049","0.043","","","0.117","0.124","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014695","10.7732","0.0004","18.3479","0.0007","27.5862","0.0009","90","","90","","90","","5452.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(tetrabutylammonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C41 H72 N2 O3 S12 Sn -","- C41 H72 N2 O3 S12 Sn -","- C164 H288 N8 O12 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0844","0.05","","","0.0988","0.1097","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014696","14.2844","0.0002","26.4828","0.0004","15.4538","0.0002","90","","90.4168","0.0006","90","","5845.88","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tetraphenylphosphonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C57 H40 O3 P2 S12 Sn -","- C57 H40 O3 P2 S12 Sn -","- C228 H160 O12 P8 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0445","0.0307","","","0.0734","0.078","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014697","5.4146","0.0012","10.969","0.002","19.968","0.004","90","","90","","90","","1186","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyguanosine","2-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl-3,7- dihydropyrrolo[2,3-d]pyrimidin-4-one","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","1","GG1237","Seela, Frank; Shaikh, Khalil I.; Eickmeier, Henning","7-Deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2005","61","3","o151","o153","10.1107/S0108270105000971","","","0.71073","MoKα","","0.0808","0.0507","","","0.1063","0.1195","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014698","14.5478","0.0011","4.9229","0.0004","11.3006","0.0009","90","","100.711","0.001","90","","795.22","0.11","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(p-tolylethynyl)benzene","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","0.5","GG1238","Filatov, Alexander S.; Petrukhina, Marina A.","1,4-Bis(<i>p</i>-tolylethynyl)benzene","Acta Crystallographica Section C","2005","61","3","o193","o194","10.1107/S0108270105000983","","","0.71073","MoKα","","0.0577","0.0449","","","0.1374","0.1438","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014699","7.398","0.002","8.413","0.002","38.628","0.011","90","","90","","90","","2404.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0531","0.0385","","","0.0777","0.082","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014700","7.071","0.0005","6.85","0.0004","48.717","0.004","90","","90","","90","","2359.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0839","0.067","","","0.1236","0.1306","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014701","10.2353","0.0008","12.1885","0.0009","24.9647","0.0019","90","","93.895","0.002","90","","3107.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-1,2-Bis(4-pyridyl)ethene-κ^2^N:N'-bis(tetraaqua{4-[2-(4- pyridinio)ethenyl]pyridine-κN}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","","- C36 H76 Co3 N6 O38 S4 -","- C36 H76 Co3 N6 O38 S4 -","- C72 H152 Co6 N12 O76 S8 -","2","0.5","HJ1033","Xin-Hua Li; Hong-Ping Xiao; Sai-Zhen Yang","μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'-bis(tetraaqua{4-[2-(4-pyridinio)ethenyl]pyridine-κ<i>N</i>}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate","Acta Crystallographica Section C","2005","61","2","m112","m114","10.1107/S0108270104030434","","","0.71073","MoKα","","0.083","0.0679","","","0.1377","0.144","","","","","","1.195","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014702","26.522","0.006","6.872","0.0013","13.811","0.004","90","","120.93","0.007","90","","2159.2","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Pt(PEt~3~)Br~2~]~2~","trans-Di-μ-bromo-bis[bromo(triethylphosphine-κP)platinum(II)]","","- C12 H30 Br4 P2 Pt2 -","- C12 H30 Br4 P2 Pt2 -","- C48 H120 Br16 P8 Pt8 -","4","0.5","HJ1034","Cornet, Stéphanie M. M.; Dillon, Keith. B.; Goeta, Andrés E.; Thompson, Amber L.","<i>trans</i>-Di-μ-bromo-bis[bromo(triethylphosphine-κ<i>P</i>)platinum(II)]","Acta Crystallographica Section C","2005","61","2","m74","m75","10.1107/S0108270104032731","","","0.71073","MoKα","","0.0226","0.0198","","","0.0448","0.0457","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014703","9.251","0.0003","16.4054","0.0005","17.8005","0.0005","113.016","0.001","93.684","0.001","101.966","0.001","2400.55","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[tris[(5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetracyclotetradiene)copper(II)]-tri-μ-cyamo-bis[tricyanocobalt(III)]]dimethylformamide solvate trihydrate]","","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","- C87 H109 Co2 Cu3 N25 O4 -","1","0.5","HJ1035","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","Cyano-bridged extended heteronuclear supramolecular architectures with hexacyanocobalt(III) as building blocks","Acta Crystallographica Section C","2005","61","3","m122","m124","10.1107/S0108270104033943","","","0.71073","MoKα","","0.0938","0.0755","","","0.1873","0.2004","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014704","10.1224","0.0004","34.3476","0.0016","10.9696","0.0004","90","","108.435","0.003","90","","3618.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran- κO)dititanium(III)samarium(III)","","- C24 H48 Cl7 O7 Sm Ti2 -","- C24 H48 Cl7 O7 Sm Ti2 -","- C96 H192 Cl28 O28 Sm4 Ti8 -","4","0.5","HJ1036","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","Tri-μ~2~-chloro-tetrachloro-μ~3~-oxo-hexakis(tetrahydrofuran-κ<i>O</i>)dititanium(III)samarium(III): a novel trinuclear Sm‒Ti mixed species","Acta Crystallographica Section C","2005","61","2","m64","m66","10.1107/S0108270104032986","","","0.71073","MoKα","","0.0264","0.0228","","","0.0528","0.0539","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014705","18.7505","0.001","4.6414","0.001","11.3866","0.001","90","","98.394","0.01","90","","980.3","0.2","293","2","","","","","","","","","","3","P 1 c 1","P -2yc","7","","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","HJ1037","Wang, Qing; Pi, Xiang-Dong; Su, Cheng-Yong","Bis[4-(3-pyridylmethyleneamino)phenyl]methane","Acta Crystallographica Section C","2005","61","2","o73","o74","10.1107/S010827010403272X","","","0.71073","MoKα","","","0.0351","","","","0.0706","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014706","16.0933","0.0002","10.21","0.0001","3.49811","0.00004","90","","90","","90","","574.784","0.011","295","","295","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","sodium calcium orthoborate","","- B4 Ca4 Na4 O12 -","- B4 Ca4 Na4 O12 -","- B8 Ca8 Na8 O24 -","2","0.25","IZ1043","Wu, L.; X.-L. Chen; Li, X.-Z.; Dai, L.; Xu, Y.-P.; Zhao, M.","Synthesis and <i>ab initio</i> X-ray powder diffraction structure of the new alkali and alkali earth metal borate NaCa(BO~3~)","Acta Crystallographica Section C","2005","61","3","i32","i34","10.1107/S010827010401964X","","","1.54056","CuKα~1~","","","","","","","","","","2.06","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014707","25.572","0.005","4.4516","0.0009","24.967","0.005","90","","99.85","0.03","90","","2800.3","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Disamarium tetraborate","Disamarium tetraborate","","- B4 O9 Sm2 -","- B4 O9 Sm2 -","- B80 O180 Sm40 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0186","0.0135","","","0.0279","0.0287","","","","","","0.952","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014708","25.09","0.005","4.3941","0.0009","24.742","0.005","90","","99.83","0.03","90","","2687.7","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-Diholmium tetraborate","Diholmium tetraborate","","- B4 Ho2 O9 -","- B4 Ho2 O9 -","- B80 Ho40 O180 -","20","2.5","IZ1049","Emme, Holger; Huppertz, Hubert","High-pressure syntheses of α-RE~2~B~4~O~9~ (RE = Sm, Ho), with a structure type displaying edge-sharing BO~4~ tetrahedra","Acta Crystallographica Section C","2005","61","3","i29","i31","10.1107/S0108270104030446","","","0.71073","MoKα","","0.0381","0.0328","","","0.0757","0.0772","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014709","5.2082","0.001","7.3705","0.0015","7.8068","0.0016","96.35","0.03","106.91","0.03","92.79","0.03","283.93","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato- 3,4-η:7,8-η:κ^6^O:O':O'':O''':O'''':O''''']","","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","- C10 H6 Ag2 O6 S2 -","1","0.5","JZ1673","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhu, Zhi-Biao; Zhao, Hui","Poly[disilver(I)-μ~8~-1,5-naphthalenedisulfonato]","Acta Crystallographica Section C","2005","61","1","m22","m24","10.1107/S0108270104029701","","","0.71073","MoKα","","0.0345","0.0339","","","0.091","0.0916","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014710","6.1036","0.0008","7.2946","0.0011","8.5571","0.0013","99.605","0.012","92.776","0.012","113.758","0.011","340.98","0.09","296","","296","","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(6-hydroxypicolinato-κ^2^N,O^2^)copper(II)","","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","- C12 H12 Cu N2 O8 -","1","0.5","JZ1676","S̨engül, Abdurrahman; Büyükgüngör, Orhan","<i>trans</i>-Diaquabis(6-hydroxypicolinato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II)","Acta Crystallographica Section C","2005","61","3","m119","m121","10.1107/S0108270104031178","","","0.71073","MoKα","","0.0346","0.0293","","","0.0692","0.0707","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014711","16.6892","0.0009","13.8568","0.0008","20.425","0.0012","90","","105.225","0.001","90","","4557.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-(p-phenylenediethynyl)-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","","- C16.5 H33 Au2 Cl O6 P2 -","- C16.5 H23 Au2 Cl O6 P2 -","- C132 H184 Au16 Cl8 O48 P16 -","8","1","JZ1684","Millar, David; Zakharov, Lev N.; Rheingold, Arnold L.; Linda H. Doerrer","Aurophilic interactions in μ-<i>p</i>-phenylenediethynyl-bis[(trimethyl phosphite)gold(I)] dichloromethane hemisolvate","Acta Crystallographica Section C","2005","61","2","m90","m92","10.1107/S0108270104033402","","","0.71073","MoKα","","0.0248","0.0202","","","0.0494","0.0515","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014712","6.7053","0.0018","8.823","0.002","14.547","0.004","90.272","0.003","101.316","0.003","103.116","0.004","820.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aquachloro(2,2'-bi-1H-imidazole)copper(II) chloro(iminodiacetato)copper(II) monohydrate","","- C10 H15 Cl2 Cu2 N5 O6 -","- C10 H15 Cl2 Cu2 N5 O6 -","- C20 H30 Cl4 Cu4 N10 O12 -","2","1","OB1205","Gao, Xiao-Li; Wei, Yi-Bin; Li, Yan-Ping; Yang, Pin","Aqua(2,2'-bi-1<i>H</i>-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate","Acta Crystallographica Section C","2005","61","1","m10","m12","10.1107/S0108270104028732","","","0.71073","MoKα","","0.0505","0.0398","","","0.095","0.0995","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014713","7.025","0.001","6.724","0.001","20.2","0.004","90","","90.27","0.03","90","","954.2","0.3","293","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-4,6-dimethylpyrimidinium hydrogensulfate","2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","","- C6 H11 N3 O4 S -","- C6 H11 N3 O4 S -","- C24 H44 N12 O16 S4 -","4","1","OB1206","Madhukar Hemamalini; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidinium hydrogen sulfate","Acta Crystallographica Section C","2005","61","2","o95","o97","10.1107/S0108270104030975","","","0.71073","MoKα","","0.031","0.0268","","","0.0701","0.0723","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014714","7.534","0.004","9.621","0.005","11.051","0.005","113.233","0.008","96.932","0.009","106.746","0.009","679.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","di-μ-sulfito-κ^3^O,O':O'';κ^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc(II)] dihydrate","","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","- C24 H28 N4 O8 S2 Zn2 -","1","0.5","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.7107","MoKα","","0.072","0.0639","","","0.1765","0.182","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014715","8.0271","0.0016","9.4817","0.0019","10.286","0.002","80.98","0.03","80.39","0.03","75.55","0.03","742","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~-sulfito-κ^2^O:O':O''- zinc(II)-μ~3~-sulfito-κ^3^O:O:O']","","- C12 H10 N2 O7 S2 Zn2 -","- C12 H10 N2 O7 S2 Zn2 -","- C24 H20 N4 O14 S4 Zn4 -","2","1","OB1207","M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio","Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]","Acta Crystallographica Section C","2005","61","1","m30","m33","10.1107/S0108270104029865","","","0.71073","MoKα","","0.0811","0.0304","","","0.0693","0.0787","","","","","","0.966","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014716","21.06","0.005","12.643","0.004","12.018","0.008","90","","90","","90","","3200","2","93.1","","","","","","","","","","","5","P m m a","-P 2a 2a","51","","Tetra-n-butylammonium bromide‒water (1/38)","","- C16 H112 Br N O38 -","- C16 H38 Br N O38 -","- C32 H76 Br2 N2 O76 -","2","0.25","OB1208","Shimada, Wataru; Shiro, Motoo; Kondo, Hidemasa; Takeya, Satoshi; Oyama, Hiroyuki; Ebinuma, Takao; Narita, Hideo","Tetra-<i>n</i>-butylammonium bromide‒water (1/38)","Acta Crystallographica Section C","2005","61","2","o65","o66","10.1107/S0108270104032743","","","0.7107","MoKα","","","0.059","","","","0.156","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014717","7.3032","0.0009","14.038","0.0012","24.1952","0.0018","90","","91.812","0.004","90","","2479.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[bis(benzimidazole)(salicylato-κO)copper(II)]- μ-salicylato-O,O':O'']","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C112 H88 Cu4 N16 O24 -","4","1","OB1209","Hong Li; Kai-Liang Yin; Duan-Jun Xu","<i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(salicylato-κ<i>O</i>)copper(II)]-μ-salicylato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2005","61","1","m19","m21","10.1107/S0108270104029580","","","0.71073","MoKα","","0.052","0.036","","","0.079","0.084","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014718","20.8346","0.0007","8.0289","0.0003","21.3189","0.0008","90","","90","","90","","3566.2","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","","- C38 H34 Mn2 N6 O8 -","- C38 H34 Mn2 N6 O8 -","- C152 H136 Mn8 N24 O32 -","4","1","OB1213","Zhang, Quan-Zheng; Lu, Can-Zhong","Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2005","61","2","m78","m80","10.1107/S0108270104032615","","","0.71073","MoKα","","0.0432","0.0401","","","0.0978","0.1007","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014719","13.2321","0.0014","8.9874","0.0006","13.9519","0.0015","90","","103.854","0.008","90","","1610.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acesulfamato)tetraaquacobalt(II)","tetraaquabis[6-methyl-1,2,3-oxathiazin-4(3H)-onato 2,2-dioxide-κN]cobalt(II)","","- C8 H16 Co N2 O12 S2 -","- C8 H16 Co N2 O12 S2 -","- C32 H64 Co4 N8 O48 S8 -","4","0.5","SK1780","İçbudak, Hasan; Bulut, Ahmet; Çetin, Naziye; Kazak, Canan","Bis(acesulfamato)tetraaquacobalt(II)","Acta Crystallographica Section C","2005","61","1","m1","m3","10.1107/S0108270104028574","","","0.71073","MoKα","","0.0364","0.0279","","","0.0658","0.0675","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014720","5.0116","0.0003","8.9507","0.0006","16.0882","0.0011","86.095","0.001","84.841","0.001","78.241","0.001","702.75","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","6-methyl-5-(N-methylcarbamoyl)-4-phenyl-1,2,3,4-dihydropyrimidine-2-thione monohydrate","","- C13 H17 N3 O2 S -","- C13 H17 N3 O2 S -","- C26 H34 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0437","0.0412","","","0.1126","0.1149","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014721","4.8853","0.0003","9.7093","0.0007","16.0343","0.0011","79.506","0.001","84.792","0.001","82.834","0.001","740.18","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-6-methyl-5-(N-methylcarbamoyl)-1,2,3,4-dihydropyrimidine- 2-thione monohydrate","","- C13 H16 Cl N3 O2 S -","- C13 H16 Cl N3 O2 S -","- C26 H32 Cl2 N6 O4 S2 -","2","1","SK1782","K. Ravikumar; B. Sridhar","Two carbamoyl-substituted dihydropyrimidines: potential mimics of dihydropyridine calcium channel blockers","Acta Crystallographica Section C","2005","61","1","o41","o44","10.1107/S0108270104028926","","","0.71073","MoKα","","0.0614","0.0554","","","0.1459","0.1504","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014722","7.5939","0.001","9.2822","0.0018","18.164","0.002","90","","90","","90","","1280.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H- pyrazolo[3,4-d]pyrimidine-4,6-diamine","","- C10 H13 Br N6 O3 -","- C10 H13 Br N6 O3 -","- C40 H52 Br4 N24 O12 -","4","1","SK1785","Seela, Frank; Sirivolu, Venkata Ramana; He, Junlin; Eickmeier, Henning","3-Bromo-1-(2-deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine: a nucleoside which strongly enhances DNA duplex stability","Acta Crystallographica Section C","2005","61","2","o67","o69","10.1107/S0108270104032123","","","0.71073","MoKα","","0.0909","0.0563","","","0.1224","0.1394","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014723","6.742","0.007","12.174","0.004","25.893","0.006","90","","90","","90","","2125","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1132","0.0408","","","0.0918","0.1274","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014724","22.885","0.003","22.885","0.004","7.9582","0.0012","90","","90","","120","","3609.5","1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","17-Oxo-5β-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C138 H204 O30 -","6","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1164","0.0463","","","0.1184","0.1398","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014725","16.453","0.003","7.173","0.001","22.368","0.003","90","","107.26","0.02","90","","2520.9","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,8,9-Pentachloropyrimido[1,2a][1,8]naphthyridin-10-one","","- C11 H2 Cl5 N3 O -","- C11 H2 Cl5 N3 O -","- C88 H16 Cl40 N24 O8 -","8","2","SK1788","Bortoluzzi, Adailton J.; Joussef, Antonio C.; Silva, Luiz E.; Rebelo, Ricardo A.","4,5,6,8,9-Pentachloropyrimido[1,2-<i>a</i>][1,8]naphthyridin-10-one","Acta Crystallographica Section C","2005","61","1","o1","o3","10.1107/S0108270104031713","","","0.71073","MoKα","","0.0461","0.0353","","","0.1052","0.1113","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014726","12.853","0.0002","5.602","0.0006","16.598","0.0008","90","","93.241","0.002","90","","1193.19","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","0.71073","MoKα","","0.0899","0.0473","","","0.1004","0.1157","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014727","25.4535","0.0004","6.2152","0.0001","28.1787","0.0004","90","","102.797","0.001","90","","4347.1","0.12","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(Z)-3-[1-(4-tert-Butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile","","- C26 H24 N2 S -","- C26 H24 N2 S -","- C208 H192 N16 S8 -","8","1","SK1789","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (<i>Z</i>)-3-[1-(4-<i>tert</i>-butylbenzyl)-1<i>H</i>-indol-3-yl]-2-(3-thienyl)acrylonitrile","Acta Crystallographica Section C","2005","61","2","o78","o80","10.1107/S0108270104032925","","","1.54178","CuKα","","0.0469","0.0426","","","0.113","0.1157","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014728","8.421","0.002","11.915","0.002","13.932","0.002","90","","104.04","0.02","90","","1356.1","0.5","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ti(DMP)(NMe2)2Cl","chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV)","","- C10 H20 Cl N3 Ti -","- C10 H20 Cl N3 Ti -","- C40 H80 Cl4 N12 Ti4 -","4","1","SK1790","Duarte, M. Teresa; Ferreira, A.; Dias, A. R.; Salema, M. M.; Ferreira da Silva, João","Chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV), [Ti(NMe~2~)~2~(DMP)Cl]","Acta Crystallographica Section C","2005","61","2","m104","m106","10.1107/S0108270104031695","","","1.5418","CuKα","","0.0686","0.0494","","","0.1258","0.1417","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014729","7.1134","0.0002","12.0842","0.0005","14.319","0.0006","90","","92.624","0.002","90","","1229.57","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.0554","0.0413","","","0.1032","0.1116","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014730","5.9635","0.0002","11.0881","0.0006","18.9959","0.001","90","","93.048","0.003","90","","1254.31","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-Nitrobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1791","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in (<i>E</i>)-2-nitrobenzaldehyde 4-nitrophenylhydrazone and a hydrogen-bonded framework structure in (<i>E</i>)-4-nitrobenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","1","o10","o14","10.1107/S0108270104028483","","","0.71073","MoKα","","0.1111","0.0525","","","0.1139","0.1368","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014731","8.6066","0.0005","9.1751","0.0005","11.9799","0.0007","90","","109.321","0.002","90","","892.73","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.1017","0.0635","","","0.1799","0.207","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014732","4.1085","0.0003","8.4497","0.0005","17.1272","0.0011","90","","94.721","0.002","90","","592.56","0.07","291","2","291","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-dimethyl-5-(1-propylaminoethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C22 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0596","0.0459","","","0.116","0.1261","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014733","18.4577","0.0004","18.4577","0.0004","19.7736","0.0004","90","","90","","120","","5834.1","0.2","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","5-[1-(2,2-dimethoxyethylamino)ethylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C12 H19 N3 O5 -","- C12 H19 N3 O5 -","- C216 H342 N54 O90 -","18","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0583","0.042","","","0.1076","0.115","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014734","7.0696","0.0005","9.0734","0.0007","11.9214","0.0008","70.995","0.002","82.084","0.002","84.729","0.002","715.23","0.09","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","5-[1-(benzylamino)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0891","0.0537","","","0.1462","0.1666","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014735","7.9669","0.0005","17.267","0.0011","13.6223","0.0009","90","","90","","90","","1873.9","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C64 H96 N32 O24 -","8","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0889","0.0464","","","0.1157","0.1287","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014736","14.402","0.0007","9.111","0.0014","9.704","0.0013","90","","108.484","0.008","90","","1207.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","S-Ethyl N-(4-chlorobenzoyl)dithiocarbamate","","- C10 H10 Cl N O S2 -","- C10 H10 Cl N O S2 -","- C40 H40 Cl4 N4 O4 S8 -","4","1","SK1793","Low, John N.; Cobo, Justo; Insuasty, Henry; Cortés, Edward; Insuaty, Braulio; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-(4-chlorobenzoyl)dithiocarbamate: sheets built from π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2005","61","1","o7","o9","10.1107/S0108270104029361","","","0.71073","MoKα","","0.1557","0.0546","","","0.1154","0.1389","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014737","9.1606","0.0005","7.2295","0.0004","11.5201","0.0006","90","","97.515","0.001","90","","756.38","0.07","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(4-nitrobenzylidene)ethane-1,2-diamine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0647","0.0498","","","0.1437","0.1581","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014738","12.9412","0.0006","7.3062","0.0003","16.9061","0.0008","90","","99.559","0.002","90","","1576.29","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(4-nitrobenzylidene)propane-1,3-diamine","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C68 H64 N16 O16 -","4","0.5","SK1795","Bomfim, Joao A. S.; Wardell, James L.; Low, John N.; Skakle, Janet M. S.; Glidewell, Christopher","π-Stacked hydrogen-bonded sheets in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)ethane-1,2-diamine and π-stacked hydrogen-bonded chains in <i>N</i>,<i>N</i>'-bis(4-nitrobenzylidene)propane-1,3-diamine","Acta Crystallographica Section C","2005","61","1","o53","o56","10.1107/S0108270104030719","","","0.71073","MoKα","","0.0816","0.0523","","","0.1378","0.1575","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014739","11.0529","0.0004","15.4381","0.0006","9.2768","0.0004","90","","90.951","0.002","90","","1582.74","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3-Difluoro-5-nitro-1H-indol-2(3H)-one","","- C8 H4 F2 N2 O3 -","- C8 H4 F2 N2 O3 -","- C64 H32 F16 N16 O24 -","8","2","SK1799","Glidewell, Christopher; Low, John N.; Wardell, James L.","3,3-Difluoro-5-nitro-1<i>H</i>-indol-2(3<i>H</i>)-one: sheets of <i>R</i>~2~^2^(8) and <i>R</i>~4~^6^(34) rings built from three-centre N—H···(O)~2~ hydrogen bonds","Acta Crystallographica Section C","2005","61","1","o57","o59","10.1107/S0108270104031026","","","0.71073","MoKα","","0.0449","0.034","","","0.085","0.0902","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014740","7.802","0.0002","12.5233","0.0005","13.892","0.0006","83.5872","0.0018","89.022","0.002","72.611","0.002","1287.01","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine","","- C27 H27 N7 O6 -","- C27 H27 N7 O6 -","- C54 H54 N14 O12 -","2","1","SK1801","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Tris[4-(4-nitrophenyl)-3-aza-3-butenyl]amine: π-stacked chains of hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(26) dimers","Acta Crystallographica Section C","2005","61","2","o75","o77","10.1107/S0108270104033141","","","0.71073","MoKα","","0.0997","0.0514","","","0.1074","0.1238","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014741","6.1494","0.0007","6.1984","0.0008","7.3642","0.0009","83.486","0.006","82.58","0.008","65.067","0.007","251.86","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Piperazinedione‒oxalic acid‒water (1/1/2)","","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","- C6 H12 N2 O8 -","1","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0464","0.0424","","","0.1324","0.1357","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014742","3.8967","0.001","11.527","0.003","5.159","0.002","90","","96.46","0.02","90","","230.26","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Piperazinedione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C8 H12 N4 O4 -","2","0.5","SK1802","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Piperazine-2,5-dione‒oxalic acid‒water (1/1/2) and a redetermination of piperazine-2,5-dione, both at 120K: hydrogen-bonded sheets containing multiple ring types","Acta Crystallographica Section C","2005","61","2","o118","o121","10.1107/S0108270104034055","","","0.71073","MoKα","","0.0677","0.067","","","0.2049","0.206","","","","","","1.245","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014743","5.6222","0.0003","8.0912","0.0004","10.5852","0.0005","90","","95.485","0.003","90","","479.32","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Diphenylmercury","","- C12 H10 Hg -","- C12 H10 Hg -","- C24 H20 Hg2 -","2","0.5","SK1803","Glidewell, Christopher; Low, John N.; Wardell, James L.","Diphenylmercury, redetermined at 120K: sheets built from a single C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","2","m107","m108","10.1107/S0108270104034134","","","0.71073","MoKα","","0.0259","0.0168","","","0.0406","0.0446","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014744","8.0671","0.0003","8.0739","0.0004","8.6212","0.0005","112.616","0.002","115.06","0.003","93.81","0.003","451.55","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-6-methoxy-4-nitroaniline","","- C7 H7 I N2 O3 -","- C7 H7 I N2 O3 -","- C14 H14 I2 N4 O6 -","2","1","SK1806","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-6-methoxy-4-nitroaniline: tripartite ribbons built from N—H···O hydrogen bonds and iodo‒nitro interactions are π-stacked into sheets","Acta Crystallographica Section C","2005","61","3","o145","o147","10.1107/S0108270105000661","","","0.71073","MoKα","","0.032","0.0251","","","0.0507","0.053","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014745","10.33","0.0005","12.2408","0.0004","7.9804","0.0004","90","","96.215","0.002","90","","1003.17","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenyl phenyl ether","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","SK1810","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Nitrophenyl phenyl ether: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","3","o185","o187","10.1107/S0108270105002076","","","0.71073","MoKα","","0.0708","0.0423","","","0.0995","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014746","6.768","0.0009","19.989","0.003","9.4923","0.0012","90","","90.717","0.002","90","","1284.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[aquacopper(II)]-μ~3~-2,2'-bipyridyl-3,3'-dicarboxylato-κ^4^N,N':O:O' dihydrate]","","- C12 H12 Cu N2 O7 -","- C12 H6 Cu N2 O7 -","- C48 H24 Cu4 N8 O28 -","4","1","SQ1177","Zhao, Bao-Zhong; Hao, Xiang-Rong; Han, Zhan-Gang; Fu, Qiang; Chen, Ya-Guang","A novel copper(II) coordination polymer with 2,2'-bipyridyl-3,3'-dicarboxylic acid","Acta Crystallographica Section C","2005","61","1","m48","m50","10.1107/S0108270104028720","","","0.71073","MoKα","","0.0577","0.0394","","","0.0873","0.0941","","","","","","0.945","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014747","26.5955","0.0001","11.4267","0.0003","16.5915","0.0004","90","","92.053","0.001","90","","5038.9","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[μ-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","","- C50 H36 Cl2 Cu2 N12 O14 -","- C50 H36 Cl2 Cu2 N12 O14 -","- C200 H144 Cl8 Cu8 N48 O56 -","4","0.5","SQ1182","Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin","[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)oxamidato(2‒)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate","Acta Crystallographica Section C","2005","61","1","m7","m9","10.1107/S0108270104028367","","","0.71073","MoKα","","0.1004","0.0689","","","0.1685","0.1984","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014748","73.814","0.015","7.008","0.0014","6.871","0.0014","90","","94.98","0.03","90","","3540.9","1.3","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","1","SQ1183","Davey, Roger J.; Gillon, Amy L.; Quayle, Michael J.; Rashad, Omar","4'-Octyloxybiphenyl-4-carbonitrile polymorph III","Acta Crystallographica Section C","2005","61","3","o143","o144","10.1107/S0108270105000326","","","0.71073","MoKα","","","0.0585","","","","0.1592","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014749","18.2168","0.0004","7.5623","0.0002","22.1355","0.0005","90","","90","","90","","3049.41","0.13","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","fenofibric acid","2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","1","SQ1185","Rath, Nigam P.; Haq, Wahajul; Balendiran, Ganesaratnam K.","Fenofibric acid","Acta Crystallographica Section C","2005","61","2","o81","o84","10.1107/S0108270104032573","","","0.71073","MoKα","","0.0485","0.0416","","","0.0957","0.0991","","","","","","1.114","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014750","9.955","0.004","6.9722","0.0012","14.673","0.004","90","","90","","90","","1018.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin- 1(8aH)-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","SQ1186","Cetina, Mario; Nagl, Ante; Prekupec, Svjetlana; Raić-Malić, Silvana; Mintas, Mladen","Hydrogen-bonding and C—H···π interactions in 7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-<i>c</i>]pyrimidin-1(9<i>H</i>)-one","Acta Crystallographica Section C","2005","61","3","o158","o160","10.1107/S010827010500079X","","","0.71073","MoKα","","0.0688","0.0399","","","0.0973","0.1077","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014751","8.067","0.003","11.029","0.003","12.769","0.004","90","","112.12","0.02","90","","1052.5","0.6","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-5-hydroxymethyl-3,6-dioxatricyclo[6.3.1.0^1.5^]dodecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C44 H64 O20 -","4","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.057","0.045","","","0.112","0.121","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014752","7.8896","0.0006","12.7281","0.001","21.8425","0.0018","90","","90","","90","","2193.4","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,7-bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.092","0.053","","","0.117","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014753","9.204","0.001","10.502","0.001","13.009","0.001","90","","93.061","0.004","90","","1255.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N,N-diisopropyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropylammonium (2R,3R)(+)-hydrogen tartrate","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C52 H74 N2 O14 -","2","1","SQ1190","Košutić-Hulita, Nada; Miroslav Žegarac","Tolterodinium (+)-(2<i>R</i>,3<i>R</i>)-hydrogen tartrate","Acta Crystallographica Section C","2005","61","3","o171","o173","10.1107/S0108270105001599","","","1.54178","CuKα","","0.0687","0.0564","","","0.1411","0.1477","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014754","3.6509","0.0019","9.368","0.005","12.554","0.006","90","","90","","90","","429.4","0.4","293","2","293","1","","","","","","","","3","C m 2 m","C -2 -2","38","","hexaaluminium dititanium tridecaoxide","","- Al6 O13 Ti2 -","- Al5.998 O13 Ti2.002 -","- Al11.996 O26 Ti4.004 -","2","0.25","SQ1191","Stefan T. Norberg; Stefan Hoffmann; Masahiro Yoshimura; Nobuo Ishizawa","Al~6~Ti~2~O~13~, a new phase in the Al~2~O~3~‒TiO~2~ system","Acta Crystallographica Section C","2005","61","3","i35","i38","10.1107/S0108270105002532","","","0.71073","MoKα","","0.082","0.074","","0.131","0.123","0.123","","","1.394","","","1.378","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014755","9.703","0.002","15.288","0.003","8.386","0.002","90","","99.97","0.01","90","","1225.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cu N14 O6 -","- C16 H28 Cu N14 O6 -","- C32 H56 Cu2 N28 O12 -","2","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0927","0.0448","","","0.0759","0.0893","","","","","","0.83","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014756","8.027","0.006","8.523","0.005","11.672","0.005","89.67","0.04","73.5","0.05","70.19","0.06","716.7","0.8","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","- C20 H36 Cu N14 O6 -","1","0.5","SQ1194","Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz","Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section C","2005","61","3","m151","m154","10.1107/S0108270105003446","","","0.71073","MoKα","","0.0317","0.0261","","","0.0593","0.0609","","","","","","0.975","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014757","9.308","0.003","9.578","0.003","16.13","0.004","77.21","0.03","87.36","0.03","81.57","0.03","1387.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","brucinium L-glycerate 4.75 hydrate","brucinium L-glycerate 4.75 hydrate","","- C26 H41.5 N2 O12.75 -","- C26 H41.5 N2 O12.75 -","- C52 H83 N4 O25.5 -","2","2","SX1156","Białońska, Agata; Ciunik, Zbigniew; Popek, Tomasz; Lis, Tadeusz","Cyclic water pentamers in triclinic crystals of brucinium <small>L</small>-glycerate","Acta Crystallographica Section C","2005","61","2","o88","o91","10.1107/S0108270104031853","","","0.71073","MoKα","","0.0432","0.0369","","","0.0781","0.081","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014758","6.808","0.001","9.995","0.002","11.421","0.002","106.38","0.02","104.8","0.02","102.23","0.02","686.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylammonium 2,5-dinitrophenolate monohydrate","","- C10 H17 N3 O6 -","- C10 H17 N3 O6 -","- C20 H34 N6 O12 -","2","1","SX1165","Genivaldo Julio Perpétuo; Jan Janczak","Tetramethylammonium 2,5-dinitrophenolate monohydrate","Acta Crystallographica Section C","2005","61","3","o165","o167","10.1107/S0108270105001253","","","0.71073","MoKα","","0.1","0.0358","","","0.0561","0.0639","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014759","15.6553","0.0016","5.9436","0.0007","5.9177","0.0007","90","","93.905","0.009","90","","549.36","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium bis(hypophosphite)","strontium bis(dihydrogenphosphate)","","- H4 O4 P2 Sr -","- H4 O4 P2 Sr -","- H16 O16 P8 Sr4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0577","0.0296","","","0.0667","0.0723","","","","","","0.791","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014760","15.516","0.003","6.0081","0.0012","5.9686","0.0012","90","","93.3","0.03","90","","555.48","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lead bis(hypohposphite)","Lead bis(dihydrogenphosphate)","","- H4 O4 P2 Pb -","- H4 O4 P2 Pb -","- H16 O16 P8 Pb4 -","4","0.5","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71073","MoKα","","0.0797","0.0333","","","0.0527","0.0576","","","","","","0.994","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014761","6.239","0.0008","15.584","0.003","6.1726","0.0013","90","","90","","90","","600.15","0.19","296","2","296","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Barium bis(hypophosphite)","Barium bis(dihydrogenphosphate) ?","","- Ba H4 O4 P2 -","- Ba H4 O4 P2 -","- Ba4 H16 O16 P8 -","4","0.25","TA1468","Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~","Acta Crystallographica Section C","2005","61","2","i14","i16","10.1107/S010827010403166X","","","0.71069","MoKα","","0.0532","0.0316","","","0.0748","0.0827","","","","","","0.887","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014762","8.778","0.003","11.52","0.005","14.717","0.006","90","","118.05","0.03","90","","1313.4","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","345OMT","(E,E)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","","- C30 H34 O8 -","- C30 H34 O8 -","- C60 H68 O16 -","2","0.5","TA1476","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dimethoxy-1,4-bis[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","1","o21","o24","10.1107/S0108270104028744","","","0.71073","Mokα","","0.1417","0.0534","","","0.1131","0.1366","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014763","20.56","0.004","8.5138","0.0017","10.387","0.002","90","","97.46","0.03","90","","1802.8","0.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis[(pyridine-4-carboxylato)zinc(II)]-di-μ~3~-phosphato]","","- C12 H12 N2 O12 P2 Zn2 -","- C12 H12 N2 O12 P2 Zn2 -","- C48 H48 N8 O48 P8 Zn8 -","4","1","TA1477","Guang-Sheng Guo; Yong-Ge Wei; Jing Li; Ying Wang; Hong-You Guo","A new layered zinc phosphate templated by protonated isonicotinate, [Zn~2~(C~6~H~5~NO~2~)~2~(HPO~4~)~2~]","Acta Crystallographica Section C","2005","61","2","m87","m89","10.1107/S0108270104031671","","","0.71073","MoKα","","0.0528","0.0395","","","0.0913","0.0969","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014764","6.9077","0.0014","9.2332","0.0018","21.809","0.004","90","","91.31","0.004","90","","1390.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate","","- C2 H5 K4 O12.5 U -","- C2 H5 K4 O12.5 U -","- C8 H20 K16 O50 U4 -","4","1","TA1480","Zehnder, Ralph A.; Peper, Shane M.; Scott, Brian L.; Runde, Wolfgang H.","Tetrapotassium dicarbonatodioxoperoxouranium(VI) 2.5-hydrate, K~4~[U(CO~3~)~2~O~2~(O~2~)]·2.5H~2~O","Acta Crystallographica Section C","2005","61","1","i3","i5","10.1107/S0108270104027994","","","0.71073","MoKα","","0.0492","0.0393","","","0.0933","0.0954","","","","","","1.561","","","","has coordinates,has Fobs","189249","2020-10-21","18:00:00",""
"2014765","7.5466","0.0015","9.042","0.002","22.412","0.008","90","","90","","90","","1529.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H- pyrazole-4-carboxylate","","- C13 H18 N6 O2 -","- C13 H18 N6 O2 -","- C52 H72 N24 O8 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0457","0.0378","","","0.0959","0.1013","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014766","10.536","0.002","13.715","0.003","14.443","0.003","90","","93.57","0.008","90","","2083","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H- pyrazole-4-carboxylate","","- C18 H19 N7 O6 S -","- C18 H19 N7 O6 S -","- C72 H76 N28 O24 S4 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0883","0.0499","","","0.1147","0.1336","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014767","8.825","0.004","14.401","0.006","17.033","0.007","90","","90","","90","","2164.7","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2S,5R)-2-isopropyl- 5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0509","0.0372","","","0.0887","0.0967","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014768","8.841","0.003","11.203","0.003","19.692","0.006","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-5-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy)-4-(4-methyl-1,3- thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","","- C18 H28 N2 O3 S -","- C18 H28 N2 O3 S -","- C72 H112 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0641","0.0418","","","0.0897","0.0985","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014769","10.4682","0.0012","10.9027","0.0012","18.4929","0.0012","90","","101.39","0.007","90","","2069.1","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","","- C22 H20 O4 S3 -","- C22 H20 O4 S3 -","- C88 H80 O16 S12 -","4","1","AV1231","Özbey, Süheyla; Kaynak, F. Betül; Ertas, Erdal; Ozturk, Turan","3,4-Bis[(4-methoxybenzoyl)methylsulfanyl]thiophene","Acta Crystallographica Section C","2005","61","6","o393","o395","10.1107/S0108270105005251","","","0.71073","MoKα","","","0.0356","","","","0.0998","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014770","5.2176","0.0006","8.0061","0.0009","8.7683","0.001","78.662","0.002","84.15","0.002","88.891","0.002","357.26","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Bis(thiocarbohydrazide)thiocyanatoiron(II)","","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","- C4 H12 Fe N10 S4 -","1","0.5","AV1233","Guang-Qi Xiang; Wei-Dong Wang; Mao-Lin Hu; Zhi-Min Jin; Ya-Ping Lü","Bis(thiocarbohydrazide)dithiocyanatoiron(II)","Acta Crystallographica Section C","2005","61","6","m311","m312","10.1107/S0108270105009881","","","0.71073","MoKα","","0.0305","0.0297","","","0.0791","0.0801","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014771","10.4876","0.0006","11.2572","0.0007","12.4998","0.0008","99.603","0.001","110.874","0.002","112.7","0.002","1190.15","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","8,15,28,35- tetraazaheptacyclo[35.3.1.1^2,6^.1^17,21^.1^22,26^.0^9,14^.O^29,34^]tetraconta- 37,38,39,40-tetrol dimethyl sulfoxide tetrasolvate","","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","- C48 H52 N4 O8 S4 -","1","0.5","AV1234","Plitt, Patrick; Rominger, Frank; Krämer, Roland","<i>N</i>,<i>N</i>:<i>N</i>',<i>N</i>'-Bis(2,2'-dihydroxybiphenyl-3,3'-dimethylidene)benzene-1,2-diamine dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section C","2005","61","6","o396","o397","10.1107/S010827010501022X","","","0.71073","MoKα","","0.1137","0.0491","","","0.0933","0.1116","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014772","16.1203","0.0015","7.7373","0.0007","15.2135","0.0018","90","","90","","90","","1897.5","0.3","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Poly[(μ-thiocyanato-1:2κ^2^S:N)bis(thiocyanato-2κN)bis(N-methylformamide- 2κO)manganese(II)mercury(II)]","","- C8 H10 Hg Mn N6 O2 S4 -","- C8 H10 Hg Mn N6 O2 S4 -","- C32 H40 Hg4 Mn4 N24 O8 S16 -","4","1","AV1235","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Zhang, Guang-Hui; Geng, Yan-Ling","Poly[bis(<i>N</i>-methylformamide)tetra-μ-thiocyanato-manganese(II)mercury(II)]","Acta Crystallographica Section C","2005","61","6","m278","m280","10.1107/S0108270105010814","","","0.71069","MoKα","","0.0701","0.0395","","","0.0679","0.0767","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014773","22.7811","0.0007","9.2121","0.0002","22.8913","0.0006","90","","97.829","0.002","90","","4759.2","0.2","130.15","0.02","130.15","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[diaquahexakis(dimethyl sulfoxide-κO)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","","- C12 H40 Ce Mo8 Na O34 S6 -","- C12 H40 Ce Mo8 Na O34 S6 -","- C48 H160 Ce4 Mo32 Na4 O136 S24 -","4","0.5","AV1236","Li-Juan Chen; Can-Zhong Lu; Quan-Zheng Zhang; Shu-Mei Chen","Poly[diaquahexakis(dimethyl sulfoxide-κ<i>O</i>)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]","Acta Crystallographica Section C","2005","61","6","m269","m271","10.1107/S0108270105010206","","","0.71073","MoKα","","0.0217","0.0208","","","0.0548","0.0554","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014774","6.2082","0.0001","7.2183","0.0001","11.2335","0.0003","90","","100.477","0.002","90","","495.01","0.017","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","MIL-12 (Ga)","Digallium phosphate pentafluoride propane-1,3-diaminium","","- C3 H12 F5 Ga2 N2 O4 P -","- C3 H12 F5 Ga2 N2 O4 P -","- C6 H24 F10 Ga4 N4 O8 P2 -","2","0.5","AV1243","Loiseau, Thierry; Ferey, Gerard","A layered fluorinated gallium phosphate organically templated by propane-1,3-diaminium, an analog of the aluminophosphate MIL-12: Ga~2~(PO~4~)F~5~·C~3~H~12~N~2~","Acta Crystallographica Section C","2005","61","6","m315","m317","10.1107/S0108270105014290","","","0.71073","MoKα","","0.0378","0.0279","","","0.0674","0.0722","","","","","","0.902","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014775","16.898","0.0014","7.6853","0.0007","13.2955","0.0012","90","","103.967","0.007","90","","1675.6","0.3","122","1","122","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2-methylquinolin-8-olato)nitridochromium(V)","","- C20 H16 Cr N3 O2 -","- C20 H16 Cr N3 O2 -","- C80 H64 Cr4 N12 O8 -","4","0.5","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.038","0.0284","","","0.0773","0.0846","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014776","11.0511","0.0012","14.1558","0.0012","15.2486","0.0011","90","","90","","90","","2385.4","0.4","122","1","122","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","nitridobis(2-sulfidopyridine N-oxide)chromium(V)","","- C10 H8 Cr N3 O2 S2 -","- C10 H8 Cr N3 O2 S2 -","- C80 H64 Cr8 N24 O16 S16 -","8","1","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.0348","0.0253","","","0.0648","0.0736","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014777","7.2505","0.0007","16.3379","0.001","26.4894","0.0017","90","","90","","90","","3137.9","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-1,4-benzoquinone monooxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C128 H144 N16 O32 -","16","2","BM1603","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","2,6-Dimethyl-1,4-benzoquinone 4-monooxime","Acta Crystallographica Section C","2005","61","4","o240","o242","10.1107/S0108270105005500","","","0.71073","MoKα","","0.0895","0.0481","","","0.1266","0.1425","","","","","","0.872","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014778","8.659","0.0002","14.392","0.0017","15.7057","0.0012","90","","102.519","0.014","90","","1910.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride","","- C22 H24 Cl N O2 -","- C22 H24 Cl N O2 -","- C88 H96 Cl4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0642","0.0484","","","0.1296","0.1419","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014779","8.7217","0.0004","14.7461","0.0006","15.4836","0.0006","90","","101.59","0.01","90","","1950.76","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium bromide","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C88 H96 Br4 N4 O8 -","4","1","BM1604","Tamuly, Chandan; Sarma, Rupam S.; Batsanov, Andrei S.; Goeta, Andrés E.; Baruah, Jubaraj B.","4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide","Acta Crystallographica Section C","2005","61","5","o324","o327","10.1107/S0108270105008206","","","0.71073","MoKα","","0.0317","0.0267","","","0.0676","0.07","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014780","13.6486","0.0002","9.3529","0.0001","17.8913","0.0003","90","","109.214","0.001","90","","2156.67","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-tert-Butyl-6-phenylsulfanyl-2-[bis(pyrazol-1-yl)methyl]phenol","","- C23 H24 N4 O S -","- C23 H24 N4 O S -","- C92 H96 N16 O4 S4 -","4","1","BM1606","Isabelle Sylvestre; Colin A. Kilner; Malcolm A. Halcrow","2-[Bis(pyrazol-1-yl)methyl]-4-<i>tert</i>-butyl-6-(phenylsulfanyl)phenol","Acta Crystallographica Section C","2005","61","5","o294","o296","10.1107/S0108270105007675","","","0.71073","MoKα","","0.055","0.0442","","","0.1176","0.1288","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014781","7.405","0.002","8.89","0.004","11.883","0.003","101.39","0.03","98.05","0.02","92.7","0.03","757","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","catena-Poly[[[(N,N,N',N'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","","- C8 H24 Cu N2 O8 -","- C8 H24 Cu N2 O8 -","- C16 H48 Cu2 N4 O16 -","2","1","DN1074","Jedidi Ferjani; Graia Mohsen; Tahar Jouini","<i>catena</i>-Poly[[[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]-μ-oxalato] tetrahydrate]","Acta Crystallographica Section C","2005","61","5","m237","m239","10.1107/S010827010500435X","","","0.71073","MoKα","","0.0388","0.032","","","0.0869","0.0907","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014782","10.2367","0.0009","8.4158","0.0006","7.5111","0.0007","90","","103.208","0.007","90","","629.96","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylhydrazinium dichloride","","- C2 H10 Cl2 N2 O -","- C2 H10 Cl2 N2 O -","- C8 H40 Cl8 N8 O4 -","4","1","DN1076","Günseli Turgut; Metin Zora; Odabaşoǧlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan","(2-Hydroxyethyl)hydrazinium(2+) dichloride","Acta Crystallographica Section C","2005","61","5","o321","o323","10.1107/S0108270105007183","","","0.71073","MoKα","","0.025","0.019","","","0.05","0.05","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014783","5.435","0.001","7.599","0.002","8.938","0.002","90","","90","","90","","369.14","0.14","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","Li (Mo O2)2 (As O4) O","Lithium dioxomolybdenum arsenate oxide","","- As Li Mo2 O9 -","- As Li Mo2 O9 -","- As2 Li2 Mo4 O18 -","2","0.25","DN1082","Hajji, Mounir; Zid, Mohamed Faouzi; Jouini, Tahar","Li(MoO~2~)~2~O(AsO~4~)","Acta Crystallographica Section C","2005","61","5","i57","i58","10.1107/S0108270105009856","","","0.71073","MoKα","","0.023","0.0207","","","0.0557","0.059","","","","","","1.146","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014784","24.253","0.002","13.953","0.0012","20.2762","0.0019","90","","125.102","0.002","90","","5613.6","0.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","","- C25 H12 B F15 N2 -","- C25 H12 B F15 N2 -","- C200 H96 B8 F120 N16 -","8","1","DN1084","Phillips, Andrew D.; Power, Philip P.","A main-group donor‒acceptor adduct: 1,3,4,5-tetramethylimidazol-2-ylidene‒tris(pentafluorophenyl)borane","Acta Crystallographica Section C","2005","61","5","o291","o293","10.1107/S0108270105006293","","","0.71073","MoKα","","0.0521","0.0372","","","0.098","0.1033","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014785","7.1352","0.0011","8.505","0.002","9.056","0.002","112.52","0.03","108.53","0.03","97.31","0.03","461.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium bromide monohydrate","4-(1H-pyrazol-4-yl)pyrazolium bromide monohydrate","","- C6 H9 Br N4 O -","- C6 H9 Br N4 O -","- C12 H18 Br2 N8 O2 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0563","0.0262","","","0.0663","0.0719","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014786","7.7691","0.0007","7.9578","0.0011","9.826","0.002","69.941","0.018","70.38","0.01","65.393","0.008","505.4","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyrazolium perchlorate monohydrate","4-(1H-pyrazol-4-yl)pyrazolium perchlorate monohydrate","","- C6 H9 Cl N4 O5 -","- C6 H9 Cl N4 O5 -","- C12 H18 Cl2 N8 O10 -","2","1","DN1085","Domasevitch, Konstantin V.; Boldog, Ishtvan","Polar hydrogen-bonded organic chains in 4,4'-bipyrazolium bromide and perchlorate monohydrates","Acta Crystallographica Section C","2005","61","6","o373","o376","10.1107/S0108270105010887","","","0.71073","MoKα","","0.0589","0.0372","","","0.102","0.1128","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014787","6.6274","0.0019","3.9625","0.0011","15.26","0.004","90","","100.615","0.005","90","","393.89","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","5,10-dihyhydroxy-5H,10H-diimidazo[1,2-a:1',2'-d]pyrazine","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C16 H16 N8 O4 -","2","0.5","DN1086","Cheruzel, Lionel E.; Mashuta, Mark S.; Buchanan, Robert M.","5,10-dihydroxy-5<i>H</i>,10<i>H</i>-diimidazo[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazine","Acta Crystallographica Section C","2005","61","6","o361","o362","10.1107/S0108270105010280","","","0.71073","MoKα","","0.0476","0.0355","","","0.068","0.0707","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014788","10.6129","0.0009","8.975","0.0005","12.6808","0.001","90","","113.227","0.006","90","","1109.96","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(acesulfamato-κ^2^N^3^,O^4^)bis(2-aminopyrimidine-κN^1^)copper(II)","bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-κ^2^N^3^,O^4^]bis(2-aminopyrimidine-κN^1^)copper(II)","","- C16 H18 Cu N8 O8 S2 -","- C16 H18 Cu N8 O8 S2 -","- C32 H36 Cu2 N16 O16 S4 -","2","0.5","FA1117","Bulut, Ahmet; İçbudak, Hasan; Sezer, Gözde; Kazak, Canan","Bis(acesulfamato-κ^2^<i>N</i>^3^,<i>O</i>^4^)bis(2-aminopyrimidine-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2005","61","5","m228","m230","10.1107/S0108270105008188","","","0.71073","MoKα","","0.0486","0.0456","","","0.1141","0.1156","","","","","","1.217","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014789","22.0496","0.0019","22.0496","0.0019","8.8155","0.0015","90","","90","","90","","4286","0.9","98","2","98","2","","","","","","","","5","I -4","I -4","82","","Poly[disodium(I)-di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato]","","- C10 H32 B2 Na2 O10 -","- C10 H32 B2 Na2 O10 -","- C80 H256 B16 Na16 O80 -","8","1","FA1119","Gainsford, Graeme J.; Kemmitt, Tim","Poly[di-μ~2~-methanolato-di-μ~2~-tetramethoxyborato-disodium(I)]","Acta Crystallographica Section C","2005","61","4","m206","m208","10.1107/S0108270105005524","","","0.71073","MoKα","","0.0345","0.0266","","","0.0629","0.0659","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014790","5.9784","0.0009","5.9784","0.0009","5.9784","0.0009","90","","90","","90","","213.68","0.06","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","Lithium Aluminum Germanium alloy","Lithium Aluminum Germanium","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0416667","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.7107","MoKα","","0.0113","0.0113","","","0.0282","0.0282","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014791","6.137","0.0008","6.137","0.0008","6.137","0.0008","90","","90","","90","","231.14","0.05","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Lithium Aluminum Germanium alloy","","","- Al Ge Li -","- Al Ge Li -","- Al4 Ge4 Li4 -","4","0.0208333","FA1121","Tillard, Monique; Belin, Claude; Spina, Laurent; Jia, Yong Zhong","Two cubic polymorphs of AlGeLi","Acta Crystallographica Section C","2005","61","5","i51","i53","10.1107/S0108270105007171","","","0.71073","MoKα","","0.0376","0.0376","","","0.0896","0.0896","","","","","","1.272","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014792","9.0806","0.0017","12.1903","0.0017","6.3424","0.0012","90","","106.379","0.016","90","","673.6","0.2","20","2","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","ammonium copper Tutton salt","perdeuterated diammonium hexaaquacopper(II) bis(sulfate)","","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu0.966 D17.16 H2.84 N2 O14 S2 Zn0.034 -","- Cu1.932 D34.32 H5.68 N4 O28 S4 Zn0.068 -","2","0.5","FA1122","Schultz, Arthur J.; Cowan, John A.; Hitchman, Michael A.; Stratemeier, Horst","Single-crystal neutron-diffraction study of 3.4% Zn-doped (ND~4~)~2~[Cu(D~2~O)~6~](SO~4~)~2~ at 20 K","Acta Crystallographica Section C","2005","61","5","m234","m236","10.1107/S0108270105009121","","","","white-beam","","","0.0542","","","","0.0889","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014793","8.9188","0.001","5.9619","0.0011","15.4047","0.0012","90","","96.974","0.008","90","","813.05","0.19","290","","290","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cerium triiodate","","- Ce I3 O9 -","- Ce I3 O9 -","- Ce4 I12 O36 -","4","1","FA1123","Chen, Xue-An; Zhang, Li; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Cerium triiodate, Ce(IO~3~)~3~","Acta Crystallographica Section C","2005","61","6","i61","i62","10.1107/S0108270105010759","","","0.71073","MoKα","","0.0359","0.0324","","","0.0856","0.087","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014794","15.9664","0.001","13.753","0.0012","13.5082","0.0011","90","","112.343","0.006","90","","2743.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) hydrogensquarate hemihydrate","","- C32 H26 Cu N4 O4.5 -","- C32 H26 Cu N4 O4.5 -","- C128 H104 Cu4 N16 O18 -","4","1","FA1124","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) hydrogen squarate hemihydrate","Acta Crystallographica Section C","2005","61","6","m266","m268","10.1107/S010827010501053X","","","0.71073","MoKα","","0.1155","0.0408","","","0.0627","0.0753","","","","","","0.805","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2014795","9.638","0.0008","5.6665","0.0003","13.8866","0.0011","90","","107.642","0.004","90","","722.73","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba O8 Te V2 -","- Ba O8 Te V2 -","- Ba4 O32 Te4 V8 -","4","1","FA1130","Hou, Ju-Ying; Huang, Chang-Cang; Zhang, Han-Hui; Yang, Qi-Yu; Chen, Yi-Ping; Xu, Jian-Fu","Barium divanadium(V) tellurite(IV)","Acta Crystallographica Section C","2005","61","6","i59","i60","10.1107/S010827010501111X","","","0.71073","MoKα","","0.0196","0.0169","","","0.0548","0.0556","","","","","","1.234","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014796","7.5983","0.0009","7.8834","0.001","8.2843","0.001","96.126","0.01","108.37","0.01","101.011","0.01","454.8","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) dinitrate","","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","- C14 H20 Ag2 N6 O6 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0207","0.0185","","","0.0455","0.0466","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014797","7.9933","0.0005","8.099","0.0005","8.4726","0.0005","98.294","0.001","97.99","0.001","110.495","0.001","497.67","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-2-(2-aminoethyl)pyridine-κ^2^N:N']disilver(I) diperchlorate","","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","- C14 H20 Ag2 Cl2 N4 O8 -","1","0.5","FA1131","Khan, M. A. H.; Prasad, T. K.; Rajasekharan, M. V.","Silver(I) complexes of 2-(2-aminoethyl)pyridine: nitrate and perchlorate salts of bis[μ-2-(2-aminoethyl)pyridine-κ^2^<i>N</i>:<i>N</i>']disilver(I)","Acta Crystallographica Section C","2005","61","6","m281","m283","10.1107/S0108270105012448","","","0.71073","MoKα","","0.0188","0.0184","","","0.0477","0.048","","","","","","1.129","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014798","9.1229","0.0003","12.098","0.0005","32.8793","0.0012","90","","90","","90","","3628.9","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-Co(en)2(N3)2 picrate","cis-diazidobis(ethylenediamine-κ^2^N,N')cobalt(III) picrate","","- C10 H18 Co N13 O7 -","- C10 H18 Co N13 O7 -","- C80 H144 Co8 N104 O56 -","8","1","FA1132","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>cis</i>-diazidobis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) picrate","Acta Crystallographica Section C","2005","61","6","m272","m274","10.1107/S0108270105011960","","","0.71073","MoKα","","0.0503","0.0423","","","0.1111","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014799","7.3269","0.0011","10.079","0.0016","21.813","0.003","90","","90","","90","","1610.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-7-propynyladenosine methanol solvate","4-amino-3-propynyl-1-(β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate","","- C14 H19 N5 O5 -","- C14 H19 N5 O5 -","- C56 H76 N20 O20 -","4","1","FG1796","Lin, Wenqing; Xu, Kui-Ying; Eickmeier, Henning; Seela, Frank","8-Aza-7-deaza-7-propynyladenosine methanol solvate","Acta Crystallographica Section C","2005","61","4","o195","o197","10.1107/S0108270105001927","","","0.71073","MoKα","","0.0755","0.0544","","","0.1494","0.1639","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014800","7.5295","0.0005","15.857","0.0013","12.3755","0.0009","90","","90.457","0.006","90","","1477.53","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","","- C24 H22 Cd2 Cl8 N6 -","- C24 H22 Cd2 Cl8 N6 -","- C48 H44 Cd4 Cl16 N12 -","2","0.5","FG1821","Xia, Chang-Kun; Zhang, Quan-Zheng; Chen, Shu-Mei; He, Xiang; Lu, Can-Zhong","Bis[2-(3-pyridinio)benzimidazolium] di-μ-chloro-bis[trichlorocadmium(II)]","Acta Crystallographica Section C","2005","61","4","m203","m205","10.1107/S0108270105005937","","","0.71073","MoKα","","0.0371","0.0311","","","0.0888","0.0905","","","","","","1.163","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014801","9.3933","0.0011","11.4531","0.0014","11.9823","0.0013","93.289","0.009","105.303","0.009","93.674","0.01","1237.1","0.3","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","bis(4-tert-butyl-2,6-dimethylphenyl)hexa-1,5-diyne-3,4-dione","","- C30 H34 O2 -","- C30 H34 O2 -","- C60 H68 O4 -","2","1","FG1824","Faust, Rüdiger; Bruhn, Clemens; Rossi, Sara","A diaryl-terminated hexa-1,5-diyne-3,4-dione","Acta Crystallographica Section C","2005","61","4","o253","o255","10.1107/S0108270105006426","","","0.71073","MoKα","","0.0552","0.0386","","","0.1019","0.1073","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014802","13.017","0.004","7.726","0.004","15.972","0.003","90","","95.675","0.019","90","","1598.4","1","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^N,N')chloropalladium(II)","","- C18 H12 Cl2 N2 Pd -","- C18 H12 Cl2 N2 Pd -","- C72 H48 Cl8 N8 Pd4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.0528","0.0274","","","0.0683","0.0756","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014803","19.43","0.003","8.528","0.002","11.884","0.003","90","","125.991","0.01","90","","1593.3","0.6","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Biquinoline-κ^2^N,N')chlorocopper(II)","","- C18 H12 Cl2 Cu N2 -","- C18 H12 Cl2 Cu N2 -","- C72 H48 Cl8 Cu4 N8 -","4","0.5","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1213","0.0453","","","0.1075","0.1307","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014804","7.986","0.002","12.257","0.006","16.839","0.0016","90","","102.464","0.013","90","","1609.4","0.9","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Biquinoline-κ^2^N,N')chlorozinc(II)","","- C18 H12 Cl2 N2 Zn -","- C18 H12 Cl2 N2 Zn -","- C72 H48 Cl8 N8 Zn4 -","4","1","FG1828","Muranishi, Yasunori; Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')dichloropalladium(II), -copper(II) and -zinc(II)","Acta Crystallographica Section C","2005","61","6","m307","m310","10.1107/S0108270105013375","","","0.71069","MoKα","","0.1458","0.0438","","","0.0982","0.1224","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014805","10.205","0.012","13.129","0.01","25.82","0.02","90","","99.26","0.04","90","","3414","5","296.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ~2~-1,8-naphthyridine-1:2κ^2^N:N';3:4κ^2^N:N')- bis(μ~2~-salicylato-1:4κ^2^O:O';2:3κ^2^O:O')- tetrakis(salicylato-1κO;2κO;3κO;4κO)tetrasilver(I)(4 Ag—Ag)","","- C74 H56 Ag4 N8 O18 -","- C74 H56 Ag4 N8 O18 -","- C148 H112 Ag8 N16 O36 -","2","0.5","FG1829","Wang, Yue; Okabe, Nobuo","Tetrakis(μ~2~-1,8-naphthyridine)-1:2κ^4^<i>N</i>:<i>N</i>';3:4κ^4^<i>N</i>:<i>N</i>'-bis(μ~2~-salicylato)-1:4κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-tetrakis(salicylic acid)-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>,4κ<i>O</i>-tetrasilver(I)(4<i>Ag{—</i>Ag})","Acta Crystallographica Section C","2005","61","6","m263","m265","10.1107/S0108270105010498","","","0.71073","MoKα","","0.05","0.0267","","","0.0518","0.0538","","","","","","0.803","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014806","8.5791","0.0012","5.7966","0.0003","12.3414","0.0017","90","","111.645","0.01","90","","570.46","0.12","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","2,3-diphenylbuta-1,3-diene","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","FG1830","Lutz, Martin; Spek, Anthony L.; van der Wiel, Bas C.; van Walree, Cornelis A.","Pseudomerohedrally twinned crystal structure of 2,3-diphenylbuta-1,3-diene","Acta Crystallographica Section C","2005","61","5","o300","o302","10.1107/S0108270105008978","","","0.71073","MoKα","","0.0353","0.0314","","","0.0769","0.0802","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014807","8.7065","0.0018","7.7518","0.0013","9.333","0.004","90","","109.15","0.02","90","","595","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(bromoacetamide)butane","Butane-1,4-diyl bis(bromoacetamide)","","- C8 H14 Br2 N2 O2 -","- C8 H14 Br2 N2 O2 -","- C16 H28 Br4 N4 O4 -","2","0.5","FG1832","Martínez-Palau, Meritxell; Urpí, Lourdes; Font-Bardia, Mercè; Puiggalí, Jordi","<i>N</i>,<i>N</i>'-Butane-1,4-diylbis(bromoacetamide)","Acta Crystallographica Section C","2005","61","6","o345","o347","10.1107/S0108270105011212","","","0.71073","MoKα","","0.1588","0.0599","","","0.129","0.1593","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014808","9.7456","0.0011","11.237","0.0012","14.5676","0.0016","73.043","0.002","70.943","0.002","85.26","0.002","1442.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Bis[(acetato-κ^2^O,O')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^N,N')zinc(II)] trithionate pentahydrate","","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","- C52 H64 N8 O15 S3 Zn2 -","1","0.5","FG1836","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Bis[(acetato-κ^2^<i>O</i>,<i>O</i>')bis(4,4'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trithionate pentahydrate","Acta Crystallographica Section C","2005","61","6","m289","m291","10.1107/S0108270105012515","","","0.71073","MoKα","","0.0744","0.0541","","","0.1318","0.1443","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014809","10.1195","0.0006","9.8062","0.0006","8.9643","0.0006","90","","99.098","0.001","90","","878.37","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL-threonine‒arsenic acid (1/1)","","- C4 H12 As N O7 -","- C4 H12 As N O7 -","- C16 H48 As4 N4 O28 -","4","1","FG1837","Wilkinson, Hazel S.; Harrison, William T. A.","A 1:1 adduct of <small>DL</small>-threonine and arsenic acid","Acta Crystallographica Section C","2005","61","6","m253","m255","10.1107/S0108270105012291","","","0.71073","MoKα","","0.0665","0.0371","","","0.0795","0.087","","","","","","0.936","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014810","15.159","0.004","16.758","0.004","8.954","0.002","90","","116.534","0.004","90","","2035","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquabis(1H-benzimidazole-κN^3^)manganese(II)]-μ-adipato]","","- C20 H22 Mn N4 O5 -","- C20 H22 Mn N4 O5 -","- C80 H88 Mn4 N16 O20 -","4","0.5","FR1500","Yu Liu; Duan-Jun Xu; Chen-Hsiung Hung","<i>catena</i>-Poly[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-adipato]","Acta Crystallographica Section C","2005","61","4","m155","m157","10.1107/S0108270105003057","","","0.71073","MoKα","","0.05","0.038","","","0.082","0.086","","","","","","0.925","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014811","10.1041","0.0004","7.221","0.0003","17.8026","0.0007","90","","90","","90","","1298.91","0.09","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-2,5-dihydrothiophene 1-oxide","","- C4 H4 Cl2 O S -","- C4 H4 Cl2 O S -","- C32 H32 Cl16 O8 S8 -","8","1","FR1507","Pett, Virginia B.; Haynes, LeRoy W.","2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry","Acta Crystallographica Section C","2005","61","4","o211","o212","10.1107/S0108270105004257","","","0.71073","MoKα","","0.0358","0.0315","","","0.0839","0.0894","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014812","7.2618","0.0011","7.5232","0.0012","19.033","0.005","90","","92.745","0.01","90","","1038.6","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate monohydrate","","- C8 H7 N5 O3 -","- C8 H7 N5 O3 -","- C32 H28 N20 O12 -","4","1","FR1520","Tafeenko, Viktor A.; Peschar, Rene; Kajukov, Yakov S.; Kornilov, Kirill N.; Aslanov, Leonid A.","Ammonium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate monohydrate","Acta Crystallographica Section C","2005","61","6","o366","o368","10.1107/S0108270105009200","","","1.54179","CuKα","","0.0454","0.0389","","","0.0997","0.104","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014813","21.593","0.005","13.328","0.005","9.352","0.005","90","0.005","104.008","0.005","90","0.005","2611.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N^1^-(4-Bromophenyl)-N^2^-hydroxy-2-oxo-2-phenylacetamidine","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","GA1096","Serkan Soylu; Murat Taş; Hümeyra Batı; Nezihe Çalışkan","<i>N</i>^1^-(4-Bromophenyl)-<i>N</i>^2^-hydroxy-2-oxo-2-phenylacetamidine","Acta Crystallographica Section C","2005","61","5","o343","o344","10.1107/S0108270105009868","","","0.71069","MoKα","","0.0813","0.0408","","","0.0793","0.0894","","","","","","0.994","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014814","9.885","0.003","8.867","0.002","17.092","0.004","90","","90","","90","","1498.1","0.7","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H16 Cl2 Cu N8 -","- C8 H16 Cl2 Cu N8 -","- C32 H64 Cl8 Cu4 N32 -","4","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0434","0.0408","","","0.1223","0.1243","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014815","8.524","0.003","8.855","0.003","9.593","0.002","90","","105.51","0.02","90","","697.7","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H12 Cl2 Cu N8 -","- C8 H12 Cl2 Cu N8 -","- C16 H24 Cl4 Cu2 N16 -","2","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0387","0.0365","","","0.1068","0.1085","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014816","11.1069","0.0018","8.2919","0.0014","18.642","0.003","90","","98.061","0.003","90","","1699.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(2-benzoylpyridine-κN)(butane-1,4-diyl)thiosemicarbazonato- κ^2^N^1^,S)copper(II)","","- C17 H17 Cl Cu N4 S -","- C17 H17 Cl Cu N4 S -","- C68 H68 Cl4 Cu4 N16 S4 -","4","1","GA1101","A. Sreekanth; V. Suni; Rohith P. John; Munirathinam Nethaji; M. R. Prathapachandra Kurup","Bis(μ-phenyl 2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-butane-1,4-diylthiosemicarbazonato)bis[chlorocopper(II)]","Acta Crystallographica Section C","2005","61","6","m284","m286","10.1107/S010827010501142X","","","0.71073","MoKα","","0.0387","0.0312","","","0.0764","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014817","11.059","0.006","14.254","0.007","14.615","0.008","87.526","0.008","74.913","0.008","87.249","0.008","2221","2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","μ-peroxodisulfato-1κO:2κO'-bis[(acetato-κ^2^O,O')aqua(2,2':6',2''- terpyridine-κ^3^N,N',N'')cadmium(II) heptahydrate","","- C34 H46 Cd2 N6 O21 S2 -","- C34 H32 Cd2 N6 O21 S2 -","- C68 H64 Cd4 N12 O42 S4 -","2","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0806","0.0458","","","0.1049","0.1214","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014818","7.334","0.0011","30.125","0.006","10.434","0.0017","90","","103.689","0.015","90","","2239.8","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-poly[[[bis(2,2'-bipyridine-κ^2^N,N')mercury(II)]-μ-peroxodisulfato- κ^2^O:O'] 0.4-hydrate]","","- C20 H16.8 Hg N4 O8.4 S2 -","- C20 H16.7988 Hg N4 O8.3994 S2 -","- C80 H67.1952 Hg4 N16 O33.5976 S8 -","4","1","GA1102","M. Enriqueta Díaz de Vivar; Miguel Angel Harvey; María Teresa Garland; Sergio Baggio; Ricardo Baggio","Two Cd and Hg peroxodisulfate complexes with aromatic amines","Acta Crystallographica Section C","2005","61","5","m240","m244","10.1107/S0108270105009273","","","0.71073","MoKα","","0.0368","0.0279","","","0.0585","0.0613","","","","","","0.84","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014819","14.79","0.015","9.373","0.008","15.01","0.03","90","","90","","90","","2081","5","298","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(Triphenylmethylsulfanyl)phthalimide","","- C27 H19 N O2 S -","- C27 H19 N O2 S -","- C108 H76 N4 O8 S4 -","4","1","GD1360","Brito, Ivań; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","<i>N</i>-(Triphenylmethylsulfanyl)phthalimide","Acta Crystallographica Section C","2005","61","4","o234","o236","10.1107/S0108270105004270","","","0.71073","MoKα","","","0.0478","","","","0.1136","","","","","","1.191","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014820","9.434","0.002","10.905","0.002","12.26","0.002","103.14","0.03","103.4","0.03","109.51","0.03","1090.8","0.6","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","9-[2,6-Dichlorophenoxy)carbonyl]-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 Cl2 F3 N O5 S -","- C22 H14 Cl2 F3 N O5 S -","- C44 H28 Cl4 F6 N2 O10 S2 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.1254","0.0438","","","0.095","0.1214","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014821","8.004","0.002","9.423","0.002","12.428","0.002","101.92","0.03","107.04","0.03","105.37","0.03","822","0.4","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-dichlorophenyl acridine-9-carboxylate","","- C20 H11 Cl2 N O2 -","- C20 H11 Cl2 N O2 -","- C40 H22 Cl4 N2 O4 -","2","1","GD1365","Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate","Acta Crystallographica Section C","2005","61","4","o227","o230","10.1107/S0108270105004506","","","0.71073","MoKα","","0.0689","0.0328","","","0.0842","0.0982","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014822","8.743","0.002","14.696","0.003","8.565","0.003","90","","93.29","0.02","90","","1098.7","0.5","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","cobaloxime","[(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III)","","- C19 H31 Co N6 O5 -","- C19 H31 Co N6 O5 -","- C38 H62 Co2 N12 O10 -","2","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.0318","0.0246","","","0.063","0.0658","","","","","","1.211","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014823","14.1206","0.0019","14.169","0.002","12.372","0.002","90","","90","","90","","2475.3","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobaloxime","bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate","","- C20 H35 Co N6 O6 -","- C20 H35 Co N6 O6 -","- C80 H140 Co4 N24 O24 -","4","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.1613","0.0381","","","0.0783","0.1048","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014824","7.282","0.005","19.456","0.005","11.954","0.005","90","","105.326","0.005","90","","1633.4","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(Acridin-9-ylimino)-3-(dimethylamino)-1,3-thiazolidin-4-one","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C72 H64 N16 O4 S4 -","4","1","GD1369","Ján Imrich; Mária Vilková; Juraj Černák","2-(Acridin-9-ylimino)-3-dimethylamino-1,3-thiazolidin-4-one","Acta Crystallographica Section C","2005","61","4","o231","o233","10.1107/S0108270105005044","","","0.71069","MoKα","","0.0728","0.0353","","","0.0693","0.0785","","","","","","0.871","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014825","7.2251","0.0011","11.193","0.0017","12.2219","0.0018","90","","101.099","0.002","90","","969.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-3-(5-hydroxy-4-oxo-4H-chromen-3-yl)acrylonitrile","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C48 H28 N4 O12 -","4","1","GD1370","Araya-Maturana, Ramiro; Heredia-Moya, Jorge; Pessoa-Mahana, Hernán; Weiss-López, Boris; Muñoz, Juan Carlos","(2<i>Z</i>)-3-(5-Hydroxy-4-oxo-4<i>H</i>-chromen-3-yl)acrylonitrile","Acta Crystallographica Section C","2005","61","4","o237","o239","10.1107/S0108270105004841","","","0.71073","MoKα","","0.0569","0.0414","","","0.1074","0.113","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014826","11.5493","0.0006","11.6207","0.0006","8.5251","0.0004","90","","107.334","0.002","90","","1092.2","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid","","- C10 H8 Cl F2 N O3 -","- C10 H8 Cl F2 N O3 -","- C40 H32 Cl4 F8 N4 O12 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.2354","0.1206","","","0.2782","0.3299","","","","","","1.569","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014827","4.9174","0.0003","8.3976","0.0003","13.5487","0.0007","90","","91.208","0.002","90","","559.36","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid","","- C11 H11 F2 N O3 -","- C11 H11 F2 N O3 -","- C22 H22 F4 N2 O6 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.0425","0.0358","","","0.0828","0.0862","","","","","","1.078","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014828","5.0075","0.0003","11.5863","0.0011","12.2219","0.0011","87.304","0.004","89.327","0.005","78.588","0.005","694.3","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(2-acetylaminophenyl)-2,2-difluoro-N-phenylacetamide","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C32 H28 F4 N4 O4 -","2","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1368","0.0525","","","0.0961","0.1178","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014829","16.5777","0.001","9.8176","0.0006","9.6962","0.0006","90","","96.01","0.001","90","","1569.41","0.17","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-acetylaminophenyl)-N-(4-chlorophenyl)-2,2-difluoroacetamide","","- C16 H13 Cl F2 N2 O2 -","- C16 H13 Cl F2 N2 O2 -","- C64 H52 Cl4 F8 N8 O8 -","4","1","GD1371","Boechat, Nubia; Maciel, Lindalva C.; Wardell, Solange M. S. V.; Skakle, Janet M. S.; Howie, R. Alan","2-(2-Acetylamino-5-chlorophenyl)-2,2-difluoroethanoic acid and 2-(2-acetylamino-5-methylphenyl)-2,2-difluoroethanoic acid, and 2-(2-acetylaminophenyl)-2,2-difluoro-<i>N</i>-phenylacetamide and 2-(2-acetylaminophenyl)-<i>N</i>-(4-chlorophenyl)-2,2-difluoroacetamide: examples of variation in molecular packing and hydrogen-bonding motif induced by substituent change","Acta Crystallographica Section C","2005","61","5","o270","o275","10.1107/S0108270105007547","","","0.71073","MoKα","","0.1317","0.0545","","","0.1055","0.1324","","","","","","1.003","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014830","18.472","0.004","7.3227","0.0015","18.247","0.004","90","","115.293","0.003","90","","2231.6","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquanickel(II) bis(4',7-dimethoxylisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Ni O28 S2 -","- C34 H54 Ni O28 S2 -","- C68 H108 Ni2 O56 S4 -","2","0.5","GD1372","Qiu-Ya Wang; Zun-Ting Zhang","Hexaaquanickel(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","5","m215","m217","10.1107/S0108270105007250","","","0.71073","MoKα","","0.0439","0.0321","","","0.0832","0.0923","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014831","9.417","0.0002","10.832","0.0002","13.141","0.0003","67.839","0.0008","81.304","0.0009","78.316","0.0009","1211.56","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","diaquadimethanolbis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II) bis(perchlorate) 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene methanol 1.72-solvate 1.28-hydrate","","- C39.72 H51.44 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","- C39.72 H47.16 Cl2 N12 O15 Zn -","1","0.5","GD1374","Rinat Shoshnik; Helena Elengoz; Israel Goldberg","Concerted coordination and hydrogen-bonding network of the 1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene [Zn(MeOH)~2~(H~2~O)~2~](ClO~4~)~2~ 3:1 complex","Acta Crystallographica Section C","2005","61","4","m187","m189","10.1107/S0108270105005329","","","0.71073","MoKα","","0.0621","0.052","","","0.1254","0.1317","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014832","8.519","0.0009","16.211","0.0015","11.862","0.002","90","","104.46","0.02","90","","1586.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","GD1376","Camerman, Arthur; Mastropaolo, Donald; Hempel, Andrew; Camerman, Norman","Ethyl 5-isopropoxy-4-methyl-β-carboline-3-carboxylate: structural determinants of benzodiazepine-receptor antagonism","Acta Crystallographica Section C","2005","61","4","o265","o266","10.1107/S0108270105005457","","","0.71073","MoKα","","0.0558","0.0394","","","0.0965","0.1074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014833","8.918","0.001","12.185","0.001","9.809","0.002","90","","106.28","0.01","90","","1023.2","0.3","295","","295","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(η^5^-Cyclopentadienyl)(N,N-dimethyldithiocarbamato-κ^2^S,S')(η^4^- tetrakis(trifluoromethyl)cyclobutadienyl)molybdenum(IV)","","- C16 H11 F12 Mo N S2 -","- C16 H11 F12 Mo N S2 -","- C32 H22 F24 Mo2 N2 S4 -","2","0.5","GD1377","Davidson, Jack L.; Jarvie, Alice; Muir, Kenneth W.","(η^5^-Cyclopentadienyl)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[η^4^-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV)","Acta Crystallographica Section C","2005","61","4","m209","m210","10.1107/S0108270105006086","","","0.71069","MoKα","","0.0289","0.0241","","","0.0655","0.0691","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014834","11.6308","0.0015","11.9248","0.0016","18.569","0.002","96.558","0.002","106.782","0.002","105.669","0.002","2321.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,3-diphenyl-1,3-propanedionato-κ^2^O,O'){hydrotris[3-(2-pyridyl)pyrazol- 1-yl]borato}praseodymium(III)","","- C54 H41 B N9 O4 Pr -","- C54 H41 B N9 O4 Pr -","- C108 H82 B2 N18 O8 Pr2 -","2","1","GD1380","Graham M. Davies; Harry Adams; Michael D. Ward","Bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>'){hydrotris[3-(2-pyridyl)pyrazol-1-yl]borato}praseodymium(III): another member of an unpredictable series","Acta Crystallographica Section C","2005","61","5","m221","m223","10.1107/S0108270105007791","","","0.71073","MoKα","","0.0428","0.0334","","","0.0706","0.0744","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014835","10.705","0.017","9.269","0.012","17.53","0.03","90","","97.83","0.13","90","","1723","5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS,7RS,8RS)-8,9,11,12-Tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.1332","0.0634","","","0.1382","0.1589","","","","","","1.005","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014836","10.937","0.007","9.228","0.004","17.1","0.006","90","","94.83","0.04","90","","1719.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,7SR,8RS)-8,9,11,12-tetrachloro-N-ethyltricyclo[6.2.2.0^2,7^]dodeca- 9,11-diene-1,10-dicarboximide","","- C16 H15 Cl4 N O2 -","- C16 H15 Cl4 N O2 -","- C64 H60 Cl16 N4 O8 -","4","1","GD1384","Grimley, Fionuala M.; O'Donnell, Cormac; Pratt, Albert C.; Long, Conor; Howie, R. Alan","The (1<i>RS</i>,2<i>RS</i>,7<i>RS</i>,8<i>RS</i>)- and (1<i>RS</i>,2<i>SR</i>,7<i>SR</i>,8<i>RS</i>)-diastereoisomers of 8,9,11,12-tetrachloro-<i>N</i>-ethyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide","Acta Crystallographica Section C","2005","61","6","o369","o372","10.1107/S0108270105010218","","","0.71073","MoKα","","0.0965","0.0531","","","0.119","0.1343","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014837","19.0297","0.0017","11.03","0.0019","12.0952","0.0019","90","","128.519","0.009","90","","1986.3","0.6","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato-κ^2^N^3^:N^3'^)zinc(II)] dihydrate]","","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","- C64 H40 N32 O32 Zn4 -","4","0.5","GD1389","Tafeenko, Viktor A.; Chernyshev, Vladimir V.","Poly[[[diaquazinc(II)]-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olato-κ^2^<i>N</i>^3^:<i>N</i>^3'^)] dihydrate]","Acta Crystallographica Section C","2005","61","6","m298","m300","10.1107/S0108270105013399","","","1.54179","CuKα","","0.0488","0.0462","","","0.0976","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014838","21.343","0.007","15.26","0.005","16.658","0.006","90","","127.094","0.005","90","","4328","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 N4 Ni O7 -","- C20 H16 Cr2 N4 Ni O7 -","- C160 H128 Cr16 N32 Ni8 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0479","0.038","","","0.0911","0.0985","","","","","","1.084","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014839","21.603","0.003","14.8505","0.0018","16.604","0.002","90","","125.682","0.002","90","","4326.8","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cr2 Cu N4 O7 -","- C20 H16 Cr2 Cu N4 O7 -","- C160 H128 Cr16 Cu8 N32 O56 -","8","1","GG1225","Amy L. Kopf; Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Poly[nickel(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>'] and poly[copper(II)-di-μ-4,4'-bipyridyl-κ^4^<i>N</i>:<i>N</i>'-μ-dichromato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","4","m165","m168","10.1107/S0108270105001605","","","0.71073","MoKα","","0.0365","0.0308","","","0.081","0.0848","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014840","16.74","0.005","19.173","0.005","6.632","0.002","90","","90","","90","","2128.6","1.1","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","(+)-(αS,1S,4R)-α,4-dimethyl-2-oxocyclohexaneacetic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C80 H128 O24 -","8","2","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.152","0.059","","","0.074","0.093","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014841","6.728","0.002","7.455","0.002","19.829","0.005","90","","90","","90","","994.6","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3R,3aR,6R,7aR)-hexahydro-7a-hydroxy-3,6-dimethylbenzo[a]furan-2-one'","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.057","0.038","","","0.075","0.082","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014842","10.79","0.0006","18.4004","0.001","10.8403","0.0006","90","","92.877","0.001","90","","2149.5","0.2","115","2","115","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9,9'-spirobifluorene‒benzene (1/1)","","- C31 H22 -","- C31 H22 -","- C124 H88 -","4","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0556","0.042","","","0.1031","0.1108","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014843","9.774","0.004","11.427","0.004","13.075","0.005","71.339","0.008","83.106","0.009","67.03","0.007","1273.8","0.8","115","2","115","2","","","","","","","","2","P -1","-P 1","2","","9,9'-spirobifluorene‒biphenyl (1/1)","","- C37 H26 -","- C37 H26 -","- C74 H52 -","2","1","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.15","0.0785","","","0.1874","0.248","","","","","","0.919","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014844","18.2491","0.0017","11.1522","0.001","18.6918","0.0017","90","","117.907","0.002","90","","3361.7","0.5","115","2","115","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9,9'-spirobifluorene","","- C25 H16 -","- C25 H16 -","- C200 H128 -","8","2","GG1249","Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.","A new polymorph and two inclusion compounds of 9,9'-spirobifluorene","Acta Crystallographica Section C","2005","61","5","o328","o331","10.1107/S0108270105009479","","","0.71073","MoKα","","0.0516","0.0412","","","0.1073","0.1187","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014845","6.2517","0.0002","12.0363","0.0005","9.9464","0.0003","90","","102.927","0.003","90","","729.47","0.04","297","1","297","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-1,2-bis(1-methylbenzimidazol-2-yl)ethene","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0427","0.0376","","","0.1061","0.111","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014846","5.1789","0.0004","11.2713","0.0008","14.4525","0.0009","90","","94.905","0.005","90","","840.55","0.1","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene","","- C20 H20 N4 -","- C20 H20 N4 -","- C40 H40 N8 -","2","0.5","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0707","0.0555","","","0.1457","0.1562","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014847","14.381","0.0005","8.3007","0.0003","16.4788","0.0006","90","","91.561","0.003","90","","1966.38","0.12","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazol-1-ium perchlorate","","- C20 H21 Cl N4 O4 -","- C20 H21 Cl N4 O4 -","- C80 H84 Cl4 N16 O16 -","4","1","GG1255","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","Three structures containing (<i>E</i>)-1,2-bis(benzimidazol-2-yl)ethene groups","Acta Crystallographica Section C","2005","61","6","o354","o357","10.1107/S0108270105011881","","","0.71073","MoKα","","0.0631","0.0492","","","0.1373","0.1483","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014848","8.326","0.005","13.588","0.005","12.401","0.005","90","0.005","90","0.005","90","0.005","1403","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)butane","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C48 H80 N24 O8 -","4","0.5","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0663","0.0333","","","0.0662","0.0715","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014849","27.01","0.003","4.2067","0.0003","12.1089","0.0014","90","","91.715","0.009","90","","1375.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-hydroxy-3-n-propyl-4,5-dihydro-1H-1,2,4-triazol-5-one","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C40 H72 N24 O16 -","8","1","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0386","0.0351","","","0.096","0.0979","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014850","7.297","0.002","7.297","0.002","30.304","0.003","90","","90","","120","","1397.4","0.6","153.7","0.1","153.7","0.1","","","","","","","","3","P 31","P 31","144","21-De-oxy cortisone","4-Pregnen-17α-ol-3,11,20-trione","","- C21 H28 O4 -","- C21 H28 O4 -","- C63 H84 O12 -","3","1","HJ1040","Raja Dey; Vratislav Langer; P. Roychowdhury; S. Roychowdhury; M. G. B. Drew","21-Deoxycortisone (17α-hydroxy-4-pregnene-3,11,20-trione)","Acta Crystallographica Section C","2005","61","4","o201","o203","10.1107/S0108270105003756","","","0.71073","MoKα","","0.0776","0.0646","","","0.1266","0.1318","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014851","9.227","0.003","15.323","0.006","16.504","0.006","90","","90","","90","","2333.4","1.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-5-methylphenyl)ethyl]-N-[(R)-1-(2-methoxy-5- methylphenyl)-2-phenylethyl]aminium chloride","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C100 H120 Cl4 N4 O8 -","4","1","HJ1041","Yang, Xiao-Feng; Zhang, Guang-You; Zhang, Yan; Zhao, Jin-Yan; Wang, Xiang-Bo","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]aminium chloride","Acta Crystallographica Section C","2005","61","4","o262","o264","10.1107/S0108270105005676","","","0.71073","MoKα","","0.0619","0.0377","","","0.083","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014852","18.1668","0.0012","13.6273","0.001","9.2692","0.0007","90","","102.998","0.003","90","","2235.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(4-aminopyridine-κN)aquacadmium(II)]-μ-1,4- phenylenediacetato-κ^4^O,O':O'',O'''] dihydrate]","","- C20 H26 Cd N4 O7 -","- C20 H26 Cd N4 O7 -","- C80 H104 Cd4 N16 O28 -","4","1","HJ1044","Lin, Xiue; Wang, Yan-Qin; Cao, Rong; Li, Feng; Bi, Wen-Hua; Wang, Yu-Ling; Li, Xiao-Ju","A new chain-like cadmium(II) coordination polymer containing chains of water molecules","Acta Crystallographica Section C","2005","61","6","m292","m294","10.1107/S0108270105007274","","","0.71073","MoKα","","0.0526","0.0448","","","0.1398","0.148","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014853","9.254","0.003","13.726","0.004","13.572","0.005","90","","102.57","0.03","90","","1682.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","HJ1045","Zhi-Min Jin; Bin Tu; Lin He; Mao-Lin Hu; Jian-Wei Zou","2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)","Acta Crystallographica Section C","2005","61","4","m197","m199","10.1107/S0108270105006694","","","0.71073","MoKα","","0.0414","0.0307","","","0.0701","0.0722","","","","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014854","7.2163","0.0006","24.102","0.002","8.0669","0.0007","90","","101.776","0.001","90","","1373.5","0.2","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gallium(acacen)chloride","[N,N'-Ethylenediiminobis(acetylacetonato)]chlorogallium(III)","","- C12 H18 Cl Ga N2 O2 -","- C12 H18 Cl Ga N2 O2 -","- C48 H72 Cl4 Ga4 N8 O8 -","4","1","HJ1048","Vohs, Jason K.; Miller, Duston O.; Denomme, Dan R.; Ziller, Joseph W.; Fahlman, Bradley D.","Chloro[<i>N</i>,<i>N</i>'-ethylenediiminobis(acetylacetonato)]gallium(III)","Acta Crystallographica Section C","2005","61","6","m287","m288","10.1107/S0108270105013594","","","0.71073","MoKα","","0.0243","0.02","","","0.0487","0.0505","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014855","7.5229","0.0017","13.083","0.003","22.149","0.005","90","","90","","90","","2180","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Methyl-2-pyridone","6-Methyl-2-pyridone","","- C6 H7 N O -","- C6 H7 N O -","- C96 H112 N16 O16 -","16","4","HJ1052","Nichol, Gary S.; Clegg, William","6-Methyl-2-pyridone: an elusive structure finally solved","Acta Crystallographica Section C","2005","61","6","o383","o385","10.1107/S0108270105012485","","","0.6768","synchrotron","","0.0966","0.0504","","","0.1073","0.1275","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014856","10.0017","0.0008","13.0822","0.0008","12.071","0.0004","90","","90","","90","","1579.42","0.17","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","rubidium trigallium bis(triphosphate)","","- Ga3 O20 P6 Rb -","- Ga3 O20 P6 Rb -","- Ga12 O80 P24 Rb4 -","4","0.5","IZ1050","Lesage, Julien; Guesdon, Anne; Raveau, Bernard","RbGa~3~(P~3~O~10~)~2~: a new gallium phosphate isotypic with RbAl~3~(P~3~O~10~)~2~","Acta Crystallographica Section C","2005","61","5","i44","i46","10.1107/S0108270105006888","","","0.71069","MoKα","","0.1075","0.035","","","0.029","0.0339","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014857","10.6953","0.0012","10.5017","0.0011","7.6064","0.0011","90","","130.504","0.007","90","","649.61","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium gadolinium bis(tungstate)","","- Gd O8 Rb W2 -","- Gd O8 Rb W2 -","- Gd4 O32 Rb4 W8 -","4","0.5","IZ1053","Kun-Peng Wang; Wen-Tao Yu; Jian-Xiu Zhang; Ji-Yang Wang; Huai-Jin Zhang; Xu-Ping Wang","Rubidium gadolinium bis(tungstate)","Acta Crystallographica Section C","2005","61","6","i65","i66","10.1107/S0108270105010504","","","0.71073","MoKα","","0.053","0.0496","","","0.1324","0.1362","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014858","16.988","0.005","8.264","0.005","16.684","0.005","90","","115.545","0.005","90","","2113.3","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","poly[μ~2~-aqua-m~3~-dimethylformide-bis(μ~3~-phenylphosphonato)dipotassium]","","- C15 H21 K2 N O8 P2 -","- C15 H21 K2 N O8 P2 -","- C60 H84 K8 N4 O32 P8 -","4","1","JZ1691","Siquiera, Márcia R.; Facco, Janaina T.; Lang, Ernesto S.; Lorenzini, Fabiane; Rizzatti, Mara R.; Ellena, Javier; Burrow, Robert A.","Layered poly[μ~2~-aqua-μ~3~-dimethylformamide-di-μ~3~-phenylphosphonato-dipotassium]","Acta Crystallographica Section C","2005","61","4","m161","m164","10.1107/S0108270105001526","","","0.71073","MoKα","","0.0767","0.0441","","","0.1004","0.1158","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014859","9.6622","0.0002","14.9139","0.0004","13.985","0.0004","90","","90","","90","","2015.25","0.09","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","mer-Triiodotripyridineindium(III)","","- C15 H15 I3 In N3 -","- C15 H15 I3 In N3 -","- C60 H60 I12 In4 N12 -","4","0.5","JZ1705","Pardoe, Jennifer A. J.; Cowley, Andrew R.; Downs, Anthony J.; Greene, Timothy M.","<i>mer</i>-Triiodotripyridineindium(III)","Acta Crystallographica Section C","2005","61","4","m200","m202","10.1107/S0108270105006360","","","0.71073","MoKα","","0.0409","0.0248","","0.0427","0.0285","0.0285","","","","","","1.0149","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014860","6.878","0.0018","10.144","0.002","17.283","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-Fluoro-2'-deoxytubercidin","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","JZ1715","Seela, Frank; Xu, Kui-Ying; Eickmeier, Henning","2'-Deoxy-5-fluorotubercidin","Acta Crystallographica Section C","2005","61","6","o408","o410","10.1107/S0108270105014265","","","0.71073","MoKα","","0.0703","0.0446","","","0.1049","0.1196","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014861","11.3534","0.0002","12.3455","0.0002","15.3328","0.0004","67.918","0.009","84.242","0.013","69.034","0.01","1858.15","0.19","173.1","","","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt)","","- C42 H32 N6 Pt2 S4 -","- C42 H32 N6 Pt2 S4 -","- C84 H64 N12 Pt4 S8 -","2","1","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.048","","","","0.085","","","","","","1.173","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014862","16.39","0.001","15.5766","0.0009","17.534","0.002","90","","118.199","0.003","90","","3945.1","0.6","173.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-pyridine-2-thiolato)-κ^4^S:N;N:S-bis[(pyridine-2-thiolato- κS)(2-pyridylphenyl-κ^2^N,C^2^)platinum(III)](Pt—Pt) acetonitrile solvate","","- C44 H35 N7 Pt2 S4 -","- C44 H35 N7 Pt2 S4 -","- C176 H140 N28 Pt8 S16 -","4","0.5","OB1216","Koshiyama, Tamami; Kato, Masako","Bis(μ-pyridine-2-thiolato)-κ^4^<i>S</i>:<i>N</i>;<i>N</i>:<i>S</i>-bis[(pyridine-2-thiolato-κ<i>S</i>)(2-pyridylphenyl-κ^2^<i>N</i>,<i>C</i>^2^)platinum(III)](<i>Pt{—</i>Pt}): the non-solvated and acetonitrile-solvated forms","Acta Crystallographica Section C","2005","61","4","m173","m176","10.1107/S0108270105004968","","","0.7107","MoKα","","","0.031","","","","0.074","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014863","7.9319","0.0011","13.6577","0.0014","12.089","0.0012","90","","103.903","0.012","90","","1271.3","0.3","290","2","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-benzoylpyridinium betaine of squaric acid","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","","- C16 H9 N O4 -","- C16 H9 N O4 -","- C64 H36 N4 O16 -","4","1","OB1218","Tsonko Kolev; Denitsa Yancheva; Boris Shivachev; Rosica Petrova; Michael Spiteller","2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate","Acta Crystallographica Section C","2005","61","4","o213","o215","10.1107/S0108270105003069","","","0.71073","MoKα","","0.1423","0.0673","","","0.1832","0.2363","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014864","17.025","0.01","12.828","0.007","14.096","0.008","90","","110.075","0.006","90","","2891","3","150.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^S:S')bis[(2-carboxylatopyridine- 6-carboxylic acid-κ^2^N,O)silver(I)]","","- C30 H24 Ag2 N2 O8 S2 -","- C30 H24 Ag2 N2 O8 S2 -","- C120 H96 Ag8 N8 O32 S8 -","4","0.5","OB1220","Liu, Shu-Qin; Konaka, Hisashi; Kuroda-Sowa, Takayoshi; Ning, Gui-Ling; Munakata, Megumu","(μ-2,11-Dithia[3.3]paracyclophane-κ^2^<i>S</i>:<i>S</i>')bis[(6-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^6^)silver(I)]: a mixed-ligand silver-based dinuclear compound","Acta Crystallographica Section C","2005","61","4","m194","m196","10.1107/S0108270105006372","","","0.7107","MoKα","","","0.0263","","","","0.0597","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014865","9.0307","0.0009","10.4375","0.0012","16.1471","0.0018","90","","90","","90","","1522","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[copper(II)-μ-L-tyrosyl-L-leucinato]","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","OB1224","Ricardo Baggio; Nieves M. C. Casado; Rafael Calvo; Raul E. Rapp; María Teresa Garland","<i>catena</i>-Poly[copper(II)-μ-<small>L</small>-tyrosyl-<small>L</small>-leucinato]","Acta Crystallographica Section C","2005","61","5","m250","m252","10.1107/S010827010500987X","","","0.71073","MoKα","","0.09","0.048","","","0.094","0.111","","","","","","1.015","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014866","10.675","0.002","7.3502","0.0015","5.1968","0.0011","90","","103.877","0.003","90","","395.86","0.14","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(1S*,2S*,4S*,5S*)Cyclohexane-1,2,4,5-tetrol monohydrate","","- C6 H14 O5 -","- C6 H14 O5 -","- C12 H28 O10 -","2","0.5","OB1226","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>S</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol monohydrate","Acta Crystallographica Section C","2005","61","6","o358","o360","10.1107/S0108270105011066","","","0.71073","MoKα","","0.0333","0.0331","","","0.082","0.0822","","","","","","1.168","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014867","23.5785","0.0005","12.1715","0.0003","7.6545","0.0002","90","","90","","90","","2196.73","0.09","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[bis(μ-salicylato-κ^2^O:O')(1,10-phenanthroline-κ^2^N,N')manganese(II)]","","- C26 H18 Mn N2 O6 -","- C26 H18 Mn N2 O6 -","- C104 H72 Mn4 N8 O24 -","4","0.5","OB1227","Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2005","61","6","m256","m258","10.1107/S0108270105011078","","","0.71069","MoKα","","0.053","0.035","","","0.076","0.081","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014868","8.0366","0.001","8.8767","0.0011","14.3438","0.0017","94.121","0.002","95.416","0.002","115.946","0.002","908.67","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-(n-hexyl)-3-methyl-4-[1-(phenylimino)propyl]-2-pyrazol-5-olato}copper(II)","","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","- C38 H52 Cu N6 O2 -","1","0.5","OB1229","Fredy R. Pérez; Julio Belmar; Claudio Jiménez; Yanko Moreno; Patricio Hermosilla; Ricardo Baggio","Bis{1-<i>n</i>-hexyl-3-methyl-4-[1-(phenylimino)propyl]-1<i>H</i>-pyrazol-5-olato}copper(II): a new copper(II) complex with a chelating alkylpyrazolone-based enamine","Acta Crystallographica Section C","2005","61","6","m318","m320","10.1107/S0108270105014538","","","0.71073","MoKα","","0.1008","0.0661","","","0.1237","0.1386","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014869","9.405","0.002","10.683","0.002","14.211","0.002","94.02","0.01","100.62","0.02","111.21","0.01","1293.7","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","Sodium trans-cyano(trans-6,13-dimethyl-,1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt triperchlorate","","- C13 H30 Cl3 Co N7 Na O12 -","- C13 H30 Cl3 Co N7 Na O12 -","- C26 H60 Cl6 Co2 N14 Na2 O24 -","2","1","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0689","0.0385","","","0.0968","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014870","9.0697","0.0003","10.5362","0.0005","13.3674","0.0009","87.805","0.006","82.909","0.007","81.743","0.005","1254.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","trans-Dicyano(trans-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt(III) trans-dicyano(trans-6,13-dimethyl- 1,4,8,11-tetraazacyclotetradecane-6,13-diaminium)cobalt(III) tetraperchlorate tetrahydrate","","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","- C28 H70 Cl4 Co2 N16 O20 -","1","0.5","RB1000","Paul V. Bernhardt; Nathan L. Kilah","Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines","Acta Crystallographica Section C","2005","61","5","m245","m249","10.1107/S0108270105009261","","","0.71073","MoKα","","0.0699","0.0593","","","0.1565","0.1657","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014871","7.4954","0.0004","16.3529","0.0008","16.9711","0.0008","93.024","0.002","96.132","0.002","90.623","0.002","2065.11","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","","- C46 H34 N14 Pt -","- C46 H34 N14 Pt -","- C92 H68 N28 Pt2 -","2","1","SF1000","Schlueter, John A.; Funk, Russell J.; Geiser, Urs","Bis(4,4'-bipyridinium) hexacyanoplatinate(IV) bis(4,4'-bipyridine)","Acta Crystallographica Section C","2005","61","6","m304","m306","10.1107/S0108270105010140","","","0.71073","MoKα","","0.0412","0.0276","","","0.0606","0.0651","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014872","23.685","0.005","14.183","0.002","25.264","0.008","90","","108.941","0.016","90","","8027","3","298","2","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(di-2-pyridyl sulfide-κ^2^N,N')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^N,S)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","","- C33 H30 F12 N8 P2 Ru S3 -","- C33 H30 F12 N8 P2 Ru S3 -","- C264 H240 F96 N64 P16 Ru8 S24 -","8","1","SK1808","Bruno, Giuseppe; Rotondo, Archimede; Tresoldi, Giuseppe; Nicoló, Francesco; Lanza, Santo","Bis(di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^<i>N</i>,<i>S</i>)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section C","2005","61","4","m169","m172","10.1107/S0108270105004634","","","0.71073","MoKα","","","0.0503","","","","0.1139","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014873","5.8015","0.0014","7.626","0.0019","20.661","0.005","90","","91.254","0.003","90","","913.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0538","0.0463","","","0.1202","0.1263","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014874","8.8978","0.0009","12.5893","0.0012","13.1797","0.0013","90","","102.157","0.002","90","","1443.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-Benzylidene-3,3a-Dihydro-2H-cyclopenta[b]chromen-1-one","2-(2-hydroxybenzylidene)-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","SK1811","Huo, Fang-Jun; Yin, Cai-Xia; Jin, Xiang-Lin; Yang, Pin","3,3a-Dihydrocyclopenta[<i>b</i>]chromen-1(2<i>H</i>)-ones from the reaction of salicylaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section C","2005","61","5","o332","o335","10.1107/S0108270105008528","","","0.71073","MoKα","","0.0701","0.0509","","","0.1231","0.1345","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014875","6.9964","0.0001","22.4244","0.0004","7.2085","0.0001","90","","93.091","0.0011","90","","1129.3","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-N-(2-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C48 H32 Cl4 N12 O12 -","4","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.0418","0.0381","","","0.1014","0.104","","","","","","1.193","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014876","7.5607","0.0004","7.6518","0.0003","12.6775","0.0005","81.177","0.003","84.367","0.002","61.172","0.002","634.69","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-N-(3-nitrophenyl)nicotinamide monohydrate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C24 H20 Cl2 N6 O8 -","2","1","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.057","0.0438","","","0.119","0.1285","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014877","7.2385","0.0002","24.5094","0.0006","13.5018","0.0004","90","","92.834","0.002","90","","2392.44","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-(4-nitrophenyl)nicotinamide","","- C12 H8 Cl N3 O3 -","- C12 H8 Cl N3 O3 -","- C96 H64 Cl8 N24 O24 -","8","2","SK1812","de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures of three isomeric 2-chloro-<i>N</i>-(nitrophenyl)nicotinamides","Acta Crystallographica Section C","2005","61","4","o204","o208","10.1107/S0108270105003586","","","0.71073","MoKα","","0.1008","0.0514","","","0.1195","0.143","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014878","7.258","0.002","14.422","0.004","18.312","0.005","82.428","0.004","80.697","0.004","86.409","0.004","1873.4","0.9","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-5-sulfosalicylato(3-)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","- C74 H64 Cu4 N18 O14 S2 -","1","0.5","SK1813","Fan, Sai-Rong; Cai, Guo-Qiang; Zhu, Long-Guan; Xiao, Hong-Ping","A mixed-valence Cu^II^/Cu^I^ anion‒cation complex: bis[μ-5-sulfosalicylato(3‒)]bis[(di-2-pyridylamine)copper(II)] bis[bis(di-2-pyridylamine)copper(I)] dihydrate","Acta Crystallographica Section C","2005","61","4","m177","m179","10.1107/S0108270105004580","","","0.71073","MoKα","","0.0754","0.0692","","","0.1441","0.1475","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014879","11.9288","0.0006","7.0604","0.0002","13.8337","0.0007","90","","90","","90","","1165.1","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-4-nitrophthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","1","SK1814","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(12) rings in <i>N</i>-phenyl-4-nitrophthalimide","Acta Crystallographica Section C","2005","61","4","o209","o210","10.1107/S0108270105004245","","","0.71073","MoKα","","0.0818","0.0677","","","0.1623","0.1705","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014880","10.5399","0.0007","11.2005","0.0007","13.495","0.0009","82.597","0.001","83.89","0.001","80.884","0.001","1553.85","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","8-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.0634","0.0528","","","0.1231","0.1291","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014881","8.3032","0.0008","10.519","0.0011","18.1165","0.0018","104.234","0.002","92.309","0.002","91.783","0.002","1531.1","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","10-chloro-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","- C18 H17 Cl F N O -","- C18 H17 Cl F N O -","- C72 H68 Cl4 F4 N4 O4 -","4","2","SK1815","K. Ravikumar; B.Sridhar; M. Mahesh; V. V. Narayana Reddy","Imino Diels‒Alder adducts. II. Two pyrano[3,2-<i>c</i>]quinolines","Acta Crystallographica Section C","2005","61","5","o267","o269","10.1107/S0108270105006542","","","0.71073","MoKα","","0.079","0.0668","","","0.1588","0.1655","","","","","","1.161","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014882","14.1311","0.0003","14.1311","0.0003","20.2206","0.0006","90","","90","","90","","4037.81","0.17","160","1","160","1","","","","","","","","4","I -4 c 2","I -4 -2c","120","","exo-8-(trifluoromethyl)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- endo-8-ol","","- C12 H13 F3 O -","- C12 H13 F3 O -","- C192 H208 F48 O16 -","16","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0743","0.0611","","","0.1626","0.1744","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014883","18.0861","0.0004","18.0861","0.0004","6.4388","0.0001","90","","90","","120","","1824","0.06","160","1","160","1","","","","","","","","3","P 31","P 31","144","","pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C11 H10 O2 -","- C11 H10 O2 -","- C99 H90 O18 -","9","3","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0542","0.0428","","","0.0939","0.101","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014884","7.4499","0.0003","12.0228","0.0005","11.6047","0.0003","90","","108.082","0.002","90","","988.08","0.06","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(trifluoromethyl)-4- oxahexacyclo[5.4.1.0^2,6^.0^3,10^.0^5,9^.0^8,11^]dodecan-3-ol","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C48 H44 F12 O8 -","4","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0676","0.0475","","","0.1167","0.1312","","","","","","1.044","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014885","8.8352","0.0002","9.3775","0.0003","12.6843","0.0005","100.268","0.0015","91.417","0.002","94.652","0.002","1029.86","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","N-phenyl-[exo-11-(trifluoromethyl)-endo-11- (trimethylsilyloxy)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- 8-yliden]amine methanol solvate","","- C22 H28 F3 N O2 Si -","- C22 H28 F3 N O2 Si -","- C44 H56 F6 N2 O4 Si2 -","2","1","SK1816","Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz","Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane","Acta Crystallographica Section C","2005","61","4","o221","o226","10.1107/S0108270105004701","","","0.71073","MoKα","","0.0748","0.0516","","","0.1216","0.1356","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014886","8.3703","0.0002","8.25","0.0001","14.1375","0.0003","90","","101.019","0.001","90","","958.27","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0522","0.0427","","","0.1066","0.1144","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014887","6.6318","0.0002","7.0944","0.0003","10.426","0.0005","90","","108.234","0.002","90","","465.9","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(3-Nitrophenyl)succinimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C20 H16 N4 O8 -","2","1","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.0348","0.0305","","","0.0748","0.0778","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014888","10.3731","0.0019","11.59","0.002","7.9761","0.0018","90","","108.135","0.016","90","","911.3","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(4-Nitrophenyl)phthalimide","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","0.5","SK1817","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric <i>N</i>-(nitrophenyl)succinimides: isolated molecules, hydrogen-bonded sheets and a hydrogen-bonded three-dimensional framework","Acta Crystallographica Section C","2005","61","4","o216","o220","10.1107/S0108270105004798","","","0.71073","MoKα","","0.1057","0.0578","","","0.1456","0.1666","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014889","22.878","0.003","4.7657","0.0005","16.789","0.002","90","","116.759","0.009","90","","1634.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0556","0.0413","","","0.1115","0.118","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014890","8.3566","0.0012","14.246","0.002","14.779","0.002","90","","90","","90","","1759.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-bis(4-bromobutyl)-2,2'-bipyridine","","- C18 H22 Br2 N2 -","- C18 H22 Br2 N2 -","- C72 H88 Br8 N8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0609","0.0369","","","0.0827","0.0907","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014891","16.0068","0.001","7.8616","0.0005","13.5718","0.0009","90","","113.377","0.001","90","","1567.67","0.17","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodoanilinium 2-carboxy-6-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C56 H44 I4 N8 O24 -","4","1","SK1819","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds and a two-centre iodo‒nitro interaction","Acta Crystallographica Section C","2005","61","4","o246","o248","10.1107/S0108270105006013","","","0.71073","MoKα","","0.0779","0.0432","","","0.1022","0.1134","","","","","","0.948","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014892","24.0634","0.0001","7.3465","0.0001","22.4459","0.0003","90","","114.332","0.001","90","","3615.56","0.08","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","threo-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane- 1,3-diol","","- C19 H24 O8 -","- C19 H24 O8 -","- C152 H192 O64 -","8","1","SK1820","Lundquist, Knut; Li, Shi-Ming; Langer, Vratislav","<i>threo</i>-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study","Acta Crystallographica Section C","2005","61","4","o256","o258","10.1107/S0108270105006359","","","0.71073","MoKα","","0.0656","0.0499","","","0.1351","0.1458","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014893","12.154","0.0002","11.2982","0.0003","13.2965","0.0003","90","","93.346","0.0016","90","","1822.74","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[chloro(triphenylphosphine)mercury(II)]","","- C36 H30 Cl4 Hg2 P2 -","- C36 H30 Cl4 Hg2 P2 -","- C72 H60 Cl8 Hg4 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0329","0.024","","","0.0459","0.0482","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014894","11.4078","0.0002","12.498","0.0004","13.9124","0.0004","90","","96.327","0.0017","90","","1971.47","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis[iodo(triphenylphosphine)mercury(II)]","","- C36 H30 Hg2 I4 P2 -","- C36 H30 Hg2 I4 P2 -","- C72 H60 Hg4 I8 P4 -","2","0.5","SK1821","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K","Acta Crystallographica Section C","2005","61","4","m211","m214","10.1107/S0108270105006323","","","0.71073","MoKα","","0.0323","0.025","","","0.0533","0.0552","","","","","","1.163","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014895","12.8131","0.001","7.5521","0.0006","28.114","0.002","90","","98.13","0.03","90","","2693.1","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium 2-carboxy-4-nitrobenzoate","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.1529","0.0767","","","0.1773","0.2096","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014896","12.7725","0.0016","7.5825","0.0007","29.595","0.003","90","","97.202","0.005","90","","2843.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chloroanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0909","0.0719","","","0.1781","0.19","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014897","12.8292","0.0006","7.575","0.0003","29.8202","0.0013","90","","97.027","0.0011","90","","2876.2","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 Br N2 O6 -","- C14 H11 Br N2 O6 -","- C112 H88 Br8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.0495","0.0428","","","0.1095","0.1135","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014898","12.9459","0.0003","7.5576","0.0001","30.179","0.0006","90","","96.784","0.001","90","","2932.04","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodoanilinium 2-carboxy-4-nitrobenzoate","","- C14 H11 I N2 O6 -","- C14 H11 I N2 O6 -","- C112 H88 I8 N16 O48 -","8","1","SK1823","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-<i>X</i>-C~6~H~4~NH~3~^+^·C~8~H~4~NO~6~^{-^} (<i>X</i> = H, Cl, Br and I)","Acta Crystallographica Section C","2005","61","5","o276","o280","10.1107/S0108270105007286","","","0.71073","MoKα","","0.051","0.0394","","","0.1284","0.1599","","","","","","1.131","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014899","11.3221","0.0009","7.7824","0.0004","12.6314","0.0011","90","","116.535","0.006","90","","995.75","0.14","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[diaquabis(pyridine-4-carboxamide-κN)copper(II)]-μ~2~-squarato- κO^1^:O^3^] dihydrate]","","- C16 H20 Cu N4 O10 -","- C16 H20 Cu N4 O10 -","- C32 H40 Cu2 N8 O20 -","2","0.5","SK1824","Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan","<i>catena</i>-Poly[[[diaquabis(pyridine-4-carboxamide-κ<i>N</i>)copper(II)]-μ~2~-squarato-κ<i>O</i>^1^:<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","5","m218","m220","10.1107/S0108270105008164","","","0.71073","MoKα","","0.0428","0.0273","","","0.059","0.0611","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014900","3.7852","0.0012","6.9366","0.0009","8.501","0.003","90","0.02","90","","90","","223.21","0.11","17.5","","17.5","","","","","","","","","3","P 21/m 1 1","P -2x 2xabv","","Titanium(III)-oxybromide","titanium(III) oxybromide","","- Br O Ti -","- Br O Ti -","- Br4 O4 Ti4 -","4","1","SK1825","Palatinus, Lukáš; Schönleber, Andreas; van Smaalen, Sander","The twofold superstructure of titanium(III) oxybromide at <i>T</i> = 17.5 K","Acta Crystallographica Section C","2005","61","5","i47","i48","10.1107/S010827010500867X","","","0.5","synchrotron","","0.0233","0.0182","","","0.0268","0.0287","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014901","7.5404","0.0002","6.5754","0.0002","31.4285","0.001","90","","94.6675","0.0015","90","","1553.09","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[[N-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin- 2-yl)-(S)-glutamato]hexaaquabarium]-μ-N-(4-amino-1,6-dihydro-1-methyl-5- nitroso-6-oxopyrimidin-2-yl)-(S)-glutamato]","","- C20 H36 Ba N10 O18 -","- C20 H36 Ba N10 O18 -","- C40 H72 Ba2 N20 O36 -","2","1","SK1826","López Garzón, Rafael; López León, M. Dolores; Low, John N.; Glidewell, Christopher","<i>catena</i>-Poly[[[<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]hexaaquabarium]-μ-<i>N</i>-(4-amino-1,6-dihydro-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)-(<i>S</i>)-glutamato]: coordination polymer chains linked into a three-dimensional framework by N—H···O and O—H···O hydrogen bonds","Acta Crystallographica Section C","2005","61","5","m224","m227","10.1107/S0108270105008474","","","0.71073","MoKα","","0.0629","0.0417","","","0.0757","0.0826","","","","","","0.999","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2014902","10.222","0.0009","11.0636","0.001","20.9787","0.0018","90","","96.728","0.001","90","","2356.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","butobarbitone","5-butyl-5-ethylbarbituric acid","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C80 H128 N16 O24 -","8","2","SK1827","Nichol, Gary S.; Clegg, William","5-Butyl-5-ethylbarbituric acid: a phase transition at low temperature","Acta Crystallographica Section C","2005","61","5","o297","o299","10.1107/S0108270105008486","","","0.6933","synchrotron","","0.0703","0.0616","","","0.1661","0.1752","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014903","6.1293","0.0003","13.9633","0.0008","13.2727","0.0008","90","","97.688","0.004","90","","1125.74","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-benzylidene-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.095","0.0691","","","0.1835","0.2008","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014904","5.6946","0.0002","8.2994","0.0003","14.0411","0.0005","73.558","0.0017","87.393","0.002","77.037","0.002","620.13","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(3-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0554","0.0397","","","0.1089","0.1318","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014905","7.5906","0.0006","8.2989","0.0007","10.301","0.001","92.544","0.006","93.074","0.005","104.456","0.006","626.33","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-(4-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0648","0.0461","","","0.1248","0.136","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014906","8.6187","0.0002","8.8451","0.0003","9.0566","0.0003","82.298","0.0018","84.465","0.002","82.365","0.002","675.94","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.0456","0.0393","","","0.1041","0.1084","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014907","9.604","0.0003","11.6691","0.0004","17.2905","0.0006","97.486","0.0016","92.554","0.0018","90.006","0.002","1919.29","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5-[3,5-di-tert-butyl-4-hydroxybenzylidene]-1,3-dimethylpyrimidine- 2,4,6(1H,3H,5H)-trione","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","2","SK1828","Rezende, Marcos C.; Dominguez, Moisés; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Supramolecular structures of five 5-(arylmethylene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-triones: isolated molecules, hydrogen-bonded chains and chains of fused hydrogen-bonded rings","Acta Crystallographica Section C","2005","61","5","o306","o311","10.1107/S0108270105008498","","","0.71073","MoKα","","0.1099","0.0702","","","0.1604","0.1789","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014908","15.3033","0.0008","3.7952","0.0003","23.3097","0.0016","90","","97.836","0.004","90","","1341.16","0.16","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(2-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I1.118 N2.882 O1.764 -","- C14 H10 I1.118 N2.882 O1.764 -","- C56 H40 I4.472 N11.528 O7.056 -","4","0.5","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0658","0.0464","","","0.0913","0.0997","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014909","7.2969","0.0003","7.3235","0.0003","13.7939","0.0006","97.405","0.002","100.41","0.002","107.59","0.003","677.73","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Iodophenyl)-4-(3-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C28 H20 I2 N6 O4 -","2","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0267","0.0225","","","0.0613","0.0846","","","","","","1.28","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014910","27.947","0.0011","8.0563","0.0003","13.7464","0.0005","90","","117.425","0.001","90","","2747.16","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2-Iodophenyl)-4-(4-nitrophenyl)-2,3-diaza-1,3-butadiene","","- C14 H10 I N3 O2 -","- C14 H10 I N3 O2 -","- C112 H80 I8 N24 O16 -","8","1","SK1830","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Supramolecular structures of three isomeric (<i>E</i>,<i>E</i>)-1-(2-iodophenyl)-4-(nitrophenyl)-2,3-diaza-1,3-butadienes: changes in intermolecular interactions consequent upon changes of substituent location","Acta Crystallographica Section C","2005","61","5","o312","o316","10.1107/S0108270105009248","","","0.71073","MoKα","","0.0445","0.0297","","","0.0737","0.0788","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014911","3.8052","0.0003","17.9667","0.0013","12.0417","0.0009","90","","93.224","0.002","90","","821.95","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-6-chloro-4-nitroaniline","","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C6 H4 Br0.9 Cl1.1 N2 O2 -","- C24 H16 Br3.6 Cl4.4 N8 O8 -","4","1","SK1832","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: simple <i>C</i>(8) chains in 2-bromo-6-chloro-4-nitroaniline","Acta Crystallographica Section C","2005","61","5","o336","o338","10.1107/S0108270105010085","","","0.71073","MoKα","","0.0657","0.0396","","","0.0813","0.0871","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014912","7.3074","0.0009","22.968","0.003","7.8343","0.0009","90","","91.972","0.01","90","","1314.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0589","0.0399","","","0.0822","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014913","12.2802","0.0017","9.4904","0.001","11.5764","0.0015","90","","116.637","0.016","90","","1206","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2',4-dihydroxy-α,β-dihydrochalcone","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK1835","Marek, Jaromír; Lunerová, Kamila; Tou<sek, Jaromír; Suchý, Václav; Marek, Radek","2',4'-Dihydroxy-3-methoxy-α,β-dihydrochalcone and 2',4-dihydroxy-α,β-dihydrochalcone: supramolecular structures formed by O—H···O, C—H···O and stacking interactions","Acta Crystallographica Section C","2005","61","6","o386","o389","10.1107/S0108270105013661","","","0.71073","MoKα","","0.0425","0.0323","","","0.0789","0.0837","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014914","11.93","0.002","11.931","0.003","11.225","0.002","90","","90","","90","","1597.7","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","catena-Poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-azido]","","- C17 H16 Co N5 O2 -","- C17 H16 Co N5 O2 -","- C68 H64 Co4 N20 O8 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0535","0.0487","","","0.1266","0.1304","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014915","12.566","0.007","11.679","0.007","11.515","0.007","90","","90","","90","","1689.9","1.7","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","catena-poly[[[N,N'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ- thiocyanato]","catena-poly[[[2,2'-[1,3- propanediylbis(nitrilomethylidyne)]diphenolato]cobalt(III)]-μ-thiocyanato]","","- C18 H16 Co N3 O2 S -","- C18 H16 Co N3 O2 S -","- C72 H64 Co4 N12 O8 S4 -","4","1","SK1836","You, Zhong-Lu","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-azido] and <i>catena</i>-poly[[[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diaminato]cobalt(III)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","6","m295","m297","10.1107/S0108270105012497","","","0.71073","MoKα","","0.0695","0.0539","","","0.1208","0.1286","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014916","7.6223","0.0002","16.7937","0.0007","24.49","0.0009","90","","90","","90","","3134.88","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C168 H136 N24 -","8","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0857","0.0491","","","0.107","0.1209","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014917","7.2767","0.0013","29.924","0.006","8.0463","0.0012","90","","112.59","0.006","90","","1617.6","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0912","0.0782","","","0.2316","0.2479","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014918","8.1092","0.0001","11.7265","0.0002","16.3486","0.0003","90","","90.901","0.0012","90","","1554.44","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0458","0.0387","","","0.0968","0.1019","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014919","7.9037","0.0007","13.1038","0.001","16.0576","0.0013","90","","99.199","0.006","90","","1641.7","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0516","0.0447","","","0.1181","0.1244","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014920","7.381","0.0002","10.8016","0.0003","22.1319","0.0005","90","","90","","90","","1764.5","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","SK1842","Torres, Harlen; Braulio Insuasty; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine: a three-dimensional framework structure generated by two C—H···O hydrogen bonds and one C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","6","o404","o407","10.1107/S010827010501379X","","","0.71073","MoKα","","0.0485","0.0438","","","0.1036","0.1065","","","","","","1.159","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014921","12.7985","0.001","4.0684","0.0003","16.6766","0.0014","90","","95.918","0.004","90","","863.71","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0839","0.0517","","","0.1119","0.1247","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014922","7.5118","0.0002","8.8121","0.0003","15.6709","0.0004","81.825","0.001","82.75","0.002","79.459","0.002","1004.1","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,4,5- trimethoxyphenyl)propenone","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C44 H42 Cl2 N4 O8 -","2","1","SK1844","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(4-methoxyphenyl)propenone and 3-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1-(3,4,5-trimethoxyphenyl)propenone","Acta Crystallographica Section C","2005","61","6","o414","o416","10.1107/S0108270105014435","","","0.71073","MoKα","","0.0392","0.0328","","","0.0844","0.0879","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014923","6.3199","0.0006","7.3333","0.0009","40.438","0.007","90","","93.571","0.012","90","","1870.5","0.4","157","2","157","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(pent-2-enyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.0806","0.0584","","","0.0937","0.101","","","","","","1.185","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014924","7.3219","0.0018","6.3291","0.0017","40.535","0.017","90","","93.419","0.012","90","","1875.1","1","156","2","156","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-4-bromo-N-(2-pentenyl)-N-(3-phenyl-2-propynyl)benzenesulfonamide","","- C20 H20 Br N O2 S -","- C20 H20 Br N O2 S -","- C80 H80 Br4 N4 O8 S4 -","4","1","SQ1187","Bats, Jan W.; Haufe, Patrick; Hashmi, A. Stephen K.","Polymorphism of (<i>Z</i>)-4-bromo-<i>N</i>-(pent-2-enyl)-<i>N</i>-(3-phenylprop-2-ynyl)benzenesulfonamide","Acta Crystallographica Section C","2005","61","5","o288","o290","10.1107/S0108270105008176","","","0.71073","MoKα","","0.1242","0.0866","","","0.1552","0.1707","","","","","","1.189","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014925","9.841","0.002","15.249","0.003","15.234","0.003","104.17","0.02","96.65","0.02","96.86","0.02","2175.5","0.8","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","bis(N-nitrocyanamidato-κN)tetrakis(1H-imidazole-κN^3^)copper(II)","","- C14 H16 Cu N14 O4 -","- C14 H16 Cu N14 O4 -","- C56 H64 Cu4 N56 O16 -","4","2","SQ1193","Díaz, Jesús García,; Kožíšek, Jozef; Fronc, Marek; Gatial, Anton; Svoboda, Ingrid; Langer, Vratislav","Pseudo-merohedrally twinned tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(<i>N</i>-nitrocyanamidato-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2005","61","4","m180","m182","10.1107/S0108270105004956","","","0.71073","MoKα","","0.0419","0.0376","","","0.0851","0.0883","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014926","13.3237","0.0002","4.0455","0.0004","21.484","0.003","90","","92.9","0.01","90","","1156.5","0.2","297","2","297","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Silver bismuth sulfide (3.5/7.5/13)","","- Ag3.5 Bi7.5 S13 -","- Ag3.5 Bi7.5002 S13 -","- Ag7 Bi15.0004 S26 -","2","0.25","SQ1196","Poudeu Poudeu, Pierre F.; Ruck, Michael","Ag~3.5~Bi~7.5~S~13~, a new member (<i>N</i>=8) of the homologous series [Bi~2~S~3~]~2~·[AgBiS~2~]~(<i>N~{-</i>1)/2}","Acta Crystallographica Section C","2005","61","5","i41","i43","10.1107/S0108270105007493","","","0.71073","MoKα","","0.0576","0.0435","","","0.0979","0.1044","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014927","6.075","0.0011","11.6306","0.0015","14.484","0.002","90","","90","","90","","1023.4","0.3","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Hydroxybenzylideneaniline","2-(phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","SQ1198","Arod, Frédéric; Gardon, Manuel; Pattison, Philip; Chapuis, Gervais","The α~2~-polymorph of salicylideneaniline","Acta Crystallographica Section C","2005","61","5","o317","o320","10.1107/S010827010500911X","","","0.71073","MoKα","","0.0548","0.0412","","","0.0952","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014928","6.1555","0.0002","12.399","0.0002","13.3019","0.0002","90","","90","","90","","1015.23","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,8aR)-4a-Methoxy-3-methyleneperhydrochromen-2-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","SQ1200","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. III. <i>trans</i>-(4a<i>R</i>,8a<i>R</i>)-4a-Methoxy-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2005","61","6","o351","o353","10.1107/S0108270105010607","","","1.54178","CuKα","","0.0299","0.0295","","","0.0794","0.0799","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014929","9.78393","0.00002","9.78393","0.00002","19.01318","0.00003","90","","90","","90","","1820.04","0.006","298","","298","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","Strontium borophosphate","","- B O20 P5 Sr6 -","- B O20 P5 Sr6 -","- B4 O80 P20 Sr24 -","4","0.25","SQ1203","Namsoo Shin; Jinyoung Kim; Docheon Ahn; Kee-Sun Sohn","A new strontium borophosphate, Sr~6~BP~5~O~20~, from synchrotron powder data","Acta Crystallographica Section C","2005","61","5","i54","i56","10.1107/S0108270105009819","","","1.5452","synchrotron","","","","","","","","","","2.21","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014930","18.4801","0.0005","13.5715","0.0004","6.6904","0.0002","90","","108.364","0.001","90","","1592.52","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","barium chlorite hydrate","Barium chlorite hydrate","","- Ba Cl2 H7 O7.5 -","- Ba Cl2 H7 O7.5 -","- Ba8 Cl16 H56 O60 -","8","1","SQ1204","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Barium chlorite hydrate, Ba(ClO~2~)~2~·3.5H~2~O","Acta Crystallographica Section C","2005","61","5","i49","i50","10.1107/S010827010500925X","","","0.71073","MoKα","","0.0262","0.0197","","","0.0495","0.051","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014931","13.5669","0.0012","14.0474","0.0012","15.4195","0.0014","84.568","0.002","66.5","0.001","67.199","0.001","2478.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","","- C62 H49 B Co N8 O2 -","- C62 H49 B Co N8 O2 -","- C124 H98 B2 Co2 N16 O4 -","2","1","SQ1208","Harding, David J.; Adams, Harry; Tuntulani, Thawatchai","B—N bond cleavage by cobalt(II) in acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)","Acta Crystallographica Section C","2005","61","6","m301","m303","10.1107/S0108270105014277","","","0.71073","MoKα","","0.0727","0.0435","","","0.0938","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014932","8.75","0.002","11.566","0.003","14.383","0.004","98.54","0.004","104.135","0.004","99.119","0.004","1366.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10- tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","- C46 H72 N4 O12 S8 -","1","0.5","SQ1209","Dale, Sophie H.; Elsegood, Mark R. J.; Gilby, Liam M.; Holmes, Kathryn E.; Kelly, Paul F.","1λ^4^,4λ^4^,8λ^4^,11λ^4^-Tetrathiacyclotetradecane-1,4,7,10-tetraylidenetetraaminium tetrakis(2,4,6-trimethylbenzenesulfonate)","Acta Crystallographica Section C","2005","61","6","o411","o413","10.1107/S010827010501437X","","","0.71073","MoKα","","0.1941","0.077","","","0.1739","0.2325","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014933","6.842","0.003","8.026","0.002","14.215","0.003","73.99","0.02","82.82","0.03","86.17","0.03","744","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","propomt","(E,E)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","","- C34 H42 O8 -","- C34 H42 O8 -","- C34 H42 O8 -","1","0.5","SX1163","Vande Velde, Christophe M.L.; Baeke, Jan K.; Geise, Herman J.; Blockhuys, Frank","(<i>E</i>,<i>E</i>)-2,5-Dipropoxy-1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]benzene","Acta Crystallographica Section C","2005","61","5","o284","o287","10.1107/S0108270105007778","","","0.71073","MoKα","","0.2201","0.0869","","","0.2136","0.2721","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014934","13.714","0.003","10.456","0.004","20.781","0.003","90","","101.365","0.005","90","","2921.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-Cinnamoylsaccharin","2-cinnamoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C128 H88 N8 O32 S8 -","8","1","SX1166","Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Sarı, Uǧur; Erdönmez, Ahmet","<i>N</i>-Cinnamoylsaccharin","Acta Crystallographica Section C","2005","61","4","o243","o245","10.1107/S0108270105005160","","","0.71069","MoKα","","0.058","0.045","","","0.127","0.138","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014935","4.7695","0.0002","16.1323","0.0005","8.6789","0.0003","90","","103.636","0.001","90","","648.96","0.04","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trihydrate","2-(2-ammonio-3-methylbutanamido)-3-hydroxypropanoate trihydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C16 H44 N4 O14 -","2","1","SX1167","Johansen, Arne; Midtkandal, Randi; Roggen, Heidi; Görbitz, Carl Henrik","<small>L</small>-Valyl-<small>L</small>-serine trihydrate","Acta Crystallographica Section C","2005","61","4","o198","o200","10.1107/S0108270105003732","","","0.71073","MoKα","","0.0351","0.0312","","","0.0807","0.083","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014936","7.3244","0.0004","8.7417","0.0005","20.0952","0.0012","90","","90","","90","","1286.65","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Strontium D-glutamate hexahydrate","Strontium D-glutamate hexahydrate","","- C5 H19 N O10 Sr -","- C5 H19 N O10 Sr -","- C20 H76 N4 O40 Sr4 -","4","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.0325","0.0277","","","0.0497","0.0507","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014937","8.7097","0.0005","7.245","0.0004","14.5854","0.0008","90","","100.521","0.001","90","","904.89","0.09","117","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","Strontium di(hydrogen-L-glutamate) pentahydrate","Strontium di(hydrogen-L-glutamate) pentahydrate","","- C10 H26 N2 O13 Sr -","- C10 H26 N2 O13 Sr -","- C20 H52 N4 O26 Sr2 -","2","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.029","0.0256","","","0.0528","0.0536","","","","","","0.794","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014938","14.4024","0.0019","4.8171","0.0004","17.84","0.002","90","","91.51","0.011","90","","1237.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(4-methylphenyl)triazene","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.0671","0.033","","","0.0633","0.0655","","","","","","0.988","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014939","14.5","0.003","4.7385","0.0005","17.848","0.003","90","","92.298","0.016","90","","1225.3","0.4","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C48 H36 Cl4 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1704","0.0867","","","0.2182","0.2534","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014940","13.683","0.003","4.7712","0.0006","17.742","0.004","90","","92.512","0.018","90","","1157.2","0.4","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","","- C13 H12 F N3 -","- C13 H12 F N3 -","- C52 H48 F4 N12 -","4","1","TA1464","Karadayı, Nevzat; C̨akmak, S̨ükriye; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","1,3-Bis(4-methylphenyl)triazene, 1-(4-chlorophenyl)-3-(4-fluorophenyl)triazene and 1-(4-fluorophenyl)-3-(4-methylphenyl)triazene","Acta Crystallographica Section C","2005","61","5","o303","o305","10.1107/S0108270105004373","","","0.71073","MoKα","","0.1532","0.0519","","","0.0942","0.1103","","","","","","0.85","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014941","19.37","0.01","29.796","0.007","9.91","0.003","90","","90","","90","","5720","4","298","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H54 Cl6 Cu N6 O4 -","- C60 H54 Cl6 Cu N6 O4 -","- C240 H216 Cl24 Cu4 N24 O16 -","4","0.5","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0499","","","","0.1633","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014942","14.313","0.004","15.888","0.005","11.863","0.004","90.13","0.03","95","0.03","63.58","0.02","2404.7","1.4","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cu N6 O4 -","- C58 H52 Cu N6 O4 -","- C116 H104 Cu2 N12 O8 -","2","1","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0689","","","","0.1607","","","","","","0.85","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014943","9.264","0.004","9.937","0.006","20.751","0.008","78.28","0.04","87.01","0.03","77.31","0.04","1824.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene diperchlorate dihydrate","","- C34 H42 Cl2 N6 O10 -","- C34 H42 Cl2 N6 O10 -","- C68 H84 Cl4 N12 O20 -","2","1","TA1487","Gnana Sutha S.; Babu Varghese; Narasimha N. Murthy","The perchlorate salt of the novel diprotonated dinucleating ligand 1,3-bis{[2-(2-pyridinio)ethyl][2-(2-pyridyl)ethyl]amino}benzene","Acta Crystallographica Section C","2005","61","6","o380","o382","10.1107/S010827010501245X","","","0.71073","MoKα","","0.135","0.0677","","","0.1714","0.2123","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014944","6.5408","0.0009","21.947","0.003","6.9672","0.001","90","","109.304","0.011","90","","943.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilead trimercury chromate(VI)","","- Cr Hg3 O8 Pb2 -","- Cr Hg3 O8 Pb2 -","- Cr4 Hg12 O32 Pb8 -","4","1","TA1488","Klein, Wilhelm; Curda, Jan; Jansen, Martin","Dilead(II) trimercury(II) tetraoxide chromate(VI), Pb~2~(Hg~3~O~4~)(CrO~4~)","Acta Crystallographica Section C","2005","61","6","i63","i64","10.1107/S0108270105012552","","","0.71073","MoKα","","0.0498","0.0447","","","0.1145","0.1185","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014945","17.6164","0.0002","10.3189","0.0001","9.2348","0.0003","90","","90","","90","","1678.72","0.06","273","1","","","","","","","","","","4","P n n m","-P 2 2n","58","","poly[octa-μ-aqua-ocataqua-μ-decavanadato-hexalithium]","","- H32 Li6 O44 V10 -","- H32 Li6 O44 V10 -","- H64 Li12 O88 V20 -","2","0.25","TA1489","Ai-Li Xie; Chun-An Ma","Hexalithium hexadecahydrate decavanadate, [Li~6~(H~2~O)~16~V~10~O~28~]~<i>n~</i>","Acta Crystallographica Section C","2005","61","6","i67","i68","10.1107/S0108270105013181","","","0.7107","MoKα","","","0.021","","","","0.072","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014946","15.8791","0.0019","15.8791","0.0019","9.905","0.002","90","","90","","120","","2162.9","0.6","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Tris(ethylenediamine)zinc(II) molybdate(VI)","","- C6 H24 Mo N6 O4 Zn -","- C6 H24 Mo N6 O4 Zn -","- C36 H144 Mo6 N36 O24 Zn6 -","6","0.5","TA1492","Guo-Hua Han; Bi-Zhou Lin; Zhen Li","Tris(ethylenediamine)zinc(II) molybdate(VI), [Zn(en)~3~][MoO~4~]","Acta Crystallographica Section C","2005","61","6","m313","m314","10.1107/S010827010501317X","","","0.71069","MoKα","","0.0386","0.0323","","","0.0954","0.099","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014947","14.962","0.002","16.577","0.003","18.117","0.003","90","","112.881","0.003","90","","4139.9","1.2","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[N,N-bis(2-pyridylmethyl)amino]ethanol-κ^3^N,N',N''}tricarbonylrhenium(I) bromide methanol solvate","","- C18 H21 Br N3 O5 Re -","- C18 H21 Br N3 O5 Re -","- C144 H168 Br8 N24 O40 Re8 -","8","2","TR1108","Banerjee, Sangeeta Ray; Zubieta, Jon","A new tricarbonylrhenium(I) compound incorporating the tridentate ligand <i>N</i>,<i>N</i>-bispicolyl-2-ethanolamine","Acta Crystallographica Section C","2005","61","6","m275","m277","10.1107/S0108270105009820","","","0.71073","MoKα","","0.0754","0.0577","","","0.1258","0.1317","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014948","7.9135","0.0001","9.3622","0.0004","13.328","0.0005","75.724","0.002","84.369","0.001","84.415","0.002","949.59","0.06","293","2","293","","","","","","","","","4","P -1","-P 1","2","","14-Phenyl-7-thiapyrano[2,3-c;6,5-c']diquinoline-14-carbonitrile","","- C26 H15 N3 S -","- C26 H15 N3 S -","- C52 H30 N6 S2 -","2","1","TR1113","Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta","Azinyl sulfides. LXXXI. 14-Phenyl-7-thiapyrano[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline-14-carbonitrile","Acta Crystallographica Section C","2005","61","6","o377","o379","10.1107/S0108270105009832","","","0.996","synchrotron","","","0.0512","","","","0.1367","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014949","11.8543","0.0008","5.7221","0.0002","10.6312","0.0006","90","","90","","90","","721.13","0.07","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1,3-Dibenzoyl-4,5-dihydro-1H-imidazole-2(3H)-thione","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C34 H28 N4 O4 S2 -","2","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0266","0.0239","","","0.058","0.0591","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014950","8.6803","0.0006","21.946","0.001","8.1845","0.0009","90","","90","","90","","1559.1","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,3-Dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1H)-thione","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","0.5","TR1118","Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.","1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section C","2005","61","6","o348","o350","10.1107/S0108270105009844","","","0.71073","MoKα","","0.0504","0.0382","","","0.0896","0.0951","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014951","8.757","0.003","8.807","0.003","11.769","0.006","84.073","0.011","75.766","0.013","61.044","0.009","769.7","0.5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","7,7-Dicyclobutyl-5-hydroxymethyl-6-oxabicyclo[3.2.1]octane-1-carboxylic acid","","- C17 H26 O4 -","- C17 H26 O4 -","- C34 H52 O8 -","2","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0687","0.0583","","","0.1604","0.1758","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014952","10.85","0.003","7.05","0.002","15.79","0.005","90","","94.207","0.01","90","","1204.6","0.6","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(hydroxymethyl)-7-oxaspiro[bicyclo[3.2.1]octane-6,1'-cyclopentane]-5- carboxylic acid","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","TR1124","Foces-Foces, C.; Rodríguez, M. L.; Febles, M.; Pérez, C.; Martín, J. D.","Supramolecular aggregation of two hydroxycarboxylic acid derivatives","Acta Crystallographica Section C","2005","61","5","o339","o342","10.1107/S0108270105010267","","","0.71073","MoKα","","0.0545","0.049","","","0.143","0.1535","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014953","6.2916","0.0002","6.2916","0.0002","8.1964","0.0002","90","","90","","120","","280.98","0.014","683","","293","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","Tl2 Se O4","Thallium selenate","","- O4 Se Tl2 -","- O4 Se Tl2 -","- O8 Se2 Tl4 -","2","0.0833333","TY1005","Matsuo, Yasumitsu; Tokoyoda, Yoshihide; Hatori, Junko; Komukae, Masaru; Ikehata, Seiichiro","Thallium selenate (Tl~2~SeO~4~) in a paraelastic phase by X-ray powder diffraction","Acta Crystallographica Section C","2005","61","4","i39","i40","10.1107/S0108270105003100","","","1.54184","CuKα","","","","","","","","","","","","","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014954","8.596","0.001","9.803","0.001","12.353","0.001","84.35","0.01","89.18","0.01","73.61","0.01","993.69","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","12-crown-4 bis(triphenylmethanethiol)","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","- C46 H48 O4 S2 -","1","0.5","AV1238","Fonari, Marina S.; Ganin, Eduard V.; Wen-Jwu Wang","1,4,7,10-Tetraoxacyclododecane‒triphenylmethanethiol (1/2)","Acta Crystallographica Section C","2005","61","7","o431","o433","10.1107/S0108270105014289","","","0.71073","MoKα","","0.0756","0.0464","","","0.1111","0.1212","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014955","10.2078","0.0015","10.9122","0.0014","16.7214","0.001","96.55","0.016","98.113","0.008","115.592","0.012","1630.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","Bis{1-[N-(2-methoxyphenyl)iminomethyl]naphthalen-2(1H)-onato- κ^3^O,N,O'}zinc(II) ethanol solvate","","- C38 H34 N2 O5 Zn -","- C38 H34 N2 O5 Zn -","- C76 H68 N4 O10 Zn2 -","2","1","AV1245","Đilović, Ivica; Matković-Čalogović, Dubravka; Popović, Zora; Roje, Vibor","Bis{1-[<i>N</i>-(2-methoxyphenyl)iminomethyl]naphthalen-2(1<i>H</i>)-onato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc(II) ethanol solvate","Acta Crystallographica Section C","2005","61","7","m351","m352","10.1107/S0108270105018044","","","0.71073","MoKα","","0.1054","0.0563","","","0.1437","0.1651","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014956","6.87","0.006","7.283","0.007","7.929","0.007","73.693","0.014","87.795","0.014","67.342","0.014","350.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","trans-μ-Oxamido-N,N'-diethanoato-bis[diaquacopper(II)] dihydrate","trans-{μ-2,2'-[(1,2-dioxoethane-1,2- diyl)diimino]diethanoato}bis[diaquacopper(II)] dihydrate","","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","- C6 H16 Cu2 N2 O12 -","1","0.5","AV1246","Jian-Fang Lou; Yan-Tuan Li; Zhi-Yong Wu; Da-Qi Wang; Jian-Min Dou","<i>trans</i>-μ-Oxamido-<i>N</i>,<i>N</i>'-diethanoato-bis[diaquacopper(II)] dihydrate","Acta Crystallographica Section C","2005","61","8","m400","m402","10.1107/S0108270105019529","","","0.71073","MoKα","","0.0263","0.0256","","","0.0708","0.0714","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014957","10.381","0.002","10.381","0.002","32.513","0.001","90","","90","","90","","3503.8","1","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","bis{μ-6,6-dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}dicopper(II) 0.28-hydrate","","- C38 H40 Co2 N4 O4.28 -","- C38 H40 Co2 N4 O4.28 -","- C152 H160 Co8 N16 O17.12 -","4","0.5","AV1247","You, Zhong-Lu","Bis[μ-<i>N</i>,<i>N</i>'-bis(3-methylsalicylidene)propane-1,3-diaminato]dicobalt(II) 0.28-hydrate","Acta Crystallographica Section C","2005","61","7","m359","m360","10.1107/S0108270105019189","","","0.71073","MoKα","","0.0377","0.0334","","","0.0757","0.0778","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014958","7.172","0.002","8.742","0.003","11.36","0.003","70.35","0.02","86","0.02","67.06","0.02","616.2","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","Di-μ-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine- κ^2^N,N')(thiocyanato-κN)copper(II)]","","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","- C16 H20 Cu2 N12 S4 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.0423","","","","0.125","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014959","5.476","0.002","9.379","0.003","9.529","0.003","76.99","0.02","75.38","0.02","86.96","0.02","461.4","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-κ^2^N,N')bis(nitrato- κO)copper(II)","","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","1","0.5","AV1248","Bogdanović, Goran A.; Jaćimović, Željko K.; Leovac, Vukadin M.","Transition metal complexes with pyrazole-based ligands. XXII. Di-μ-thiocyanato-bis[(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)copper(II)] and a redetermination of bis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ<i>O</i>)copper(II)","Acta Crystallographica Section C","2005","61","8","m376","m379","10.1107/S0108270105018913","","","0.71073","MoKα","","","0.03","","","","0.0833","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014960","8.824","0.002","23.183","0.004","11.305","0.003","90","","96.185","0.002","90","","2299.2","0.9","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-N-(5-methylisoxazol-3-yl)-N-[(4-oxo-2-phenyl-4H-1-benzopyran-6- yl)methyl]benzensulfonamide","","- C26 H21 N3 O5 S -","- C26 H21 N3 O5 S -","- C104 H84 N12 O20 S4 -","4","1","AV1251","Özbey, Süheyla; Akbaş, Arzu; Ayhan-Kilcigil, Gülgün; Ertan, Rahmiye","Antibacterial 4-amino-<i>N</i>-(5-methylisoxazol-3-yl)-<i>N</i>-[(4-oxo-2-phenyl-4<i>H</i>-1-benzopyran-6-yl)methyl]benzenesulfonamide","Acta Crystallographica Section C","2005","61","9","o559","o561","10.1107/S0108270105023759","","","0.71073","MoKα","","","0.055","","","","0.1464","","","","","","0.965","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014961","10.499","0.002","12.208","0.002","11.886","0.002","90","","90","","90","","1523.4","0.5","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","catena-Poly[[{2,4-dichloro-6-[(pyridin-2-ylmethylimino)methyl]phenolato}- copper(II)]-μ-thiocyanato]","","- C14 H9 Cl2 Cu N3 O S -","- C14 H9 Cl2 Cu N3 O S -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","4","1","AV1260","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[[2,4-dichloro-6-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m421","m423","10.1107/S0108270105023760","","","0.71073","MoKα","","0.047","0.0426","","","0.0931","0.0954","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014962","6.7703","0.001","16.0954","0.0011","10.3136","0.0005","90","","90","","90","","1123.88","0.19","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","sodium tetracalcium orthovanadate","sodium tetracalcium trivanadiun dodecaoxide","","- Ca4 Na O12 V3 -","- Ca4 Na O12 V3 -","- Ca16 Na4 O48 V12 -","4","0.5","BC1070","Hamdi Ben Yahia; Etienne Gaudin; Jacques Darriet","Sodium calcium orthovanadate, NaCa~4~(VO~4~)~3~","Acta Crystallographica Section C","2005","61","7","i79","i80","10.1107/S0108270105018214","","","0.71069","MoKα","","0.0543","0.0349","","","0.0752","0.083","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014963","5.564","0.002","5.51","0.002","7.802","0.003","90","","90.18","0.03","90","","239.19","0.15","160","","160","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","lanthanum barium manganite perovskite","lanthanum barium manganese trioxide","","- Ba0.185 La0.815 Mn O3 -","- Ba0.185 La0.815 Mn O3 -","- Ba0.74 La3.26 Mn4 O12 -","4","0.5","BC1071","Nicola Rotiroti; Rafael Tamazyan; Sander van Smaalen; Ya. Mukovskii","Monoclinic La~1{-~<i>x</i>}Ba~<i>x~</i>MnO~3~ (<i>x</i> = 0.185) at 160 K","Acta Crystallographica Section C","2005","61","9","i83","i85","10.1107/S0108270105017518","","","0.71069","MoKα","","0.0356","0.027","","","0.0319","0.0327","","","","","","1.68","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014964","4.5666","0.0003","11.2194","0.001","16.7595","0.0013","90","","96.549","0.006","90","","853.06","0.12","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","thallium(III) selenite","dithallium(III) triselenium(IV) oxide","","- O9 Se3 Tl2 -","- O9 Se3 Tl2 -","- O36 Se12 Tl8 -","4","1","BC1073","Harrison, William T. A.","Thallium(III) selenite, Tl~2~(SeO~3~)~3~","Acta Crystallographica Section C","2005","61","7","i76","i78","10.1107/S0108270105018111","","","0.71073","MoKα","","0.0531","0.0442","","","0.1152","0.1212","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014965","16.193","0.0004","33.45","0.0009","6.5169","0.0002","90","","112.349","0.001","90","","3264.77","0.16","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","","- C28 H36 Co F4 N6 Na O9 -","- C28 H36 Co F4 N6 Na O9 -","- C112 H144 Co4 F16 N24 Na4 O36 -","4","0.5","BG1006","Sharma, Raj Pal; Bala, Ritu; Sharma, Rajni; Bond, Andrew D.","Second-sphere coordination in anion binding: sodium hexaamminecobalt(III) tetrakis(4-fluorobenzoate) monohydrate","Acta Crystallographica Section C","2005","61","7","m356","m358","10.1107/S0108270105018500","","","0.71073","MoKα","","0.0378","0.0293","","","0.0791","0.0853","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014966","9.759","0.001","12.861","0.001","14.06","0.001","90","","99.2","0.03","90","","1742","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Octachloro-1κ^4^Cl,4κ^4^Cl-tetra-μ-dimethylglycine-2:3κ^8^O:O'- tetracopper(II)]","","- C16 H36 Cl8 Cu4 N4 O8 -","- C16 H36 Cl8 Cu4 N4 O8 -","- C32 H72 Cl16 Cu8 N8 O16 -","2","0.5","BG1009","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Di-μ-chloro-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-hexachloro-1κ^3^<i>Cl</i>,4κ^3^<i>Cl</i>-tetra-μ-dimethylglycine-2:3κ^8^<i>O</i>:<i>O</i>'-tetracopper(II)","Acta Crystallographica Section C","2005","61","8","m380","m382","10.1107/S0108270105021591","","","0.71073","MoKα","","0.0351","0.0235","","","0.0581","0.0635","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014967","12.1176","0.0003","11.3888","0.0003","15.2667","0.0004","90","","98.8372","0.001","90","","2081.87","0.09","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1H-indole","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.0528","0.0404","","","0.1067","0.1138","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014968","7.7856","0.0002","10.4801","0.0003","16.7489","0.0005","90","","90","","90","","1366.61","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-Methyl-2-nitrovinyl)-2-phenyl-1H-indole","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1063","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014969","13.08","0.004","8.998","0.003","18.406","0.005","90","","99.37","0.03","90","","2137.4","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[tert-Butoxycarbonylglycyl-(Z)-α,β-dehydrophenylalanylglycyl-(E)- α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","","- C44 H49 N7 O10 -","- C44 H49 N7 O10 -","- C88 H98 N14 O20 -","2","1","DN1081","Makowski, Maciej; Brzuszkiewicz, Anna; Lisowski, Marek; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanylphenylalanyl]-4-nitroaniline ethanol solvate","Acta Crystallographica Section C","2005","61","7","o424","o426","10.1107/S0108270105015258","","","1.5418","CuKα","","0.1002","0.0717","","","0.1681","0.1918","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014970","9.752","0.005","9.894","0.006","11.685","0.006","105.963","0.005","99.76","0.007","98.062","0.003","1047.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^N^3^:N^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1- ylmethyl)benzene]-1:1'κ^2^N^3^:N^3'^;2:2'κ^2^N^3^:N^3'^]","","- C21 H21 Cl2 Cu N6 -","- C21 H22 Cl2 Cu N6 -","- C42 H44 Cl4 Cu2 N12 -","2","1","DN1091","Tao Li; Sheng-Min Hu; Shao-Wu Du","<i>catena</i>-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]-1:1'κ^2^<i>N</i>^3^:<i>N</i>^3'^;2:2'κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2005","61","9","m409","m411","10.1107/S0108270105019682","","","0.71073","MoKα","","0.0685","0.0447","","","0.0828","0.0931","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014971","11.398","0.0002","22.6068","0.0004","13.1547","0.0002","90","","115.429","0.001","90","","3061.21","0.09","120","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","","- C36 H30 B2 N8 -","- C36 H30 B2 N8 -","- C144 H120 B8 N32 -","4","1","DN1094","Kunrath, Fábio A.; Casagrande, Osvaldo L.; Toupet, Loïc; Carpentier, Jean-François","1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole","Acta Crystallographica Section C","2005","61","8","o521","o523","10.1107/S0108270105021967","","","0.71069","MoKα","","0.0763","0.0483","","","0.116","0.1311","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014972","11.767","0.002","7.418","0.0015","33.87","0.007","90","","90","","90","","2956.4","1","298","2","298","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","","- C12 H14 Br Cu N3 O S -","- C12 H14 Br Cu N3 O S -","- C96 H112 Br8 Cu8 N24 O8 S8 -","8","2","DN1095","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","9","m406","m408","10.1107/S0108270105023139","","","0.71073","MoKα","","0.0415","0.0358","","","0.0891","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014973","23.066","0.002","5.0026","0.0004","8.022","0.0007","90","","108.871","0.009","90","","875.9","0.14","105","","105","","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","","- C16 H10 Hg N4 S4 -","- C16 H10 Hg N4 S4 -","- C32 H20 Hg2 N8 S8 -","2","0.5","EM1000","Dürüst, Yaşar; Altuğ, Cevher; Bozkurt, Çetin; Fronczek, Frank R.","Bis(3-phenyl-1,2,4-thiadiazole-5-thiolato)mercury(II)","Acta Crystallographica Section C","2005","61","9","m442","m444","10.1107/S0108270105025734","","","0.71073","MoKα","","0.023","0.023","","","0.05","0.05","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014974","14.0813","0.0013","10.2094","0.0019","12.372","0.003","90","","91.621","0.014","90","","1777.9","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C64 H104 N24 O16 -","8","2","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1193","0.0498","","","0.0975","0.1184","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014975","6.1743","0.0012","26.765","0.003","6.0257","0.0012","90","","111.425","0.011","90","","927","0.3","290","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-amino-cyclohexanspiro-5-hydantoin","3-amino-1,3-diazaspiro[4.5]decane-2,4-dione or 1'-aminocyclohexanespiro-4'-imidazole-2',5'(3'H,4'H)-dione","","- C8 H13 N3 O2 -","- C8 H13 N3 O2 -","- C32 H52 N12 O8 -","4","1","FA1115","Boris Shivachev; Rosica Petrova; Emilia Naydenova","Dimorphism in 3'-aminocyclohexanespiro-5'-hydantoin","Acta Crystallographica Section C","2005","61","8","o524","o526","10.1107/S0108270105016033","","","0.71073","MoKα","","0.1249","0.0551","","","0.114","0.138","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014976","10.207","0.006","4.78","0.003","11.955","0.007","90","","101.39","0.01","90","","571.8","0.6","20","1","20","1","","","","","","","","4","P 1 21 1","P 2yb","4","Ala-Gly-Ala","L-Alanylglycyl-L-alanine monohydrate","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","FA1135","Förster, Diana; Messerschmidt, Marc; Luger, Peter","<small>L</small>-Alanylglycyl-<small>L</small>-alanine monohydrate at 20K","Acta Crystallographica Section C","2005","61","7","o420","o421","10.1107/S0108270105015015","","","0.71073","MoKα","","0.0276","0.0269","","","0.0706","0.0711","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014977","8.6928","0.0017","8.8579","0.0018","9.6059","0.0019","85.17","0.03","65.14","0.03","74.03","0.03","644.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaquabis(5-carboxypentanoato-κO)cobalt(II)]-μ- 1,2-di-4-pyridylethane-κ^2^N:N']","","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","- C24 H34 Co N2 O10 -","1","0.5","FA1144","Hong-Zhen Xie; Dan-Yi Wei; Yue-Qing Zheng","<i>catena</i>-Poly[[diaquabis(5-carboxypentanoato-κ<i>O</i>)cobalt(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2005","61","9","m419","m420","10.1107/S0108270105022882","","","0.71073","MoKα","","0.0344","0.0299","","","0.0756","0.0781","","","","","","1.046","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2014978","17.805","0.006","7.002","0.002","12.071","0.006","90","","90","","90","","1504.9","1","291","2","291","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","Tetragermanium nonaselenide","","- Ge4 Se9 -","- Ge4 Se9 -","- Ge16 Se36 -","4","1","FA1148","Jung-Eun Kwak; Hoseop Yun","Reinvestigation of Ge~4~Se~9~ based on single-crystal data","Acta Crystallographica Section C","2005","61","8","i81","i82","10.1107/S0108270105021979","","","0.71073","MoKα","","","0.0371","","","","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014979","5.2213","0.0001","6.7525","0.0001","11.2121","0.0001","90","","94.846","0.0003","90","","393.89","0.01","2","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014980","5.239","0.0001","6.7581","0.0001","11.2696","0.0001","90","","94.8053","0.0003","90","","397.605","0.01","100","","2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl sulfoxide","dimethyl sulfoxide","","- C2 D6 O S -","- C2 D6 O S -","- C8 D24 O4 S4 -","4","1","FA1152","Ibberson, Richard M.","Neutron powder diffraction studies of dimethyl sulfoxide","Acta Crystallographica Section C","2005","61","9","o571","o573","10.1107/S010827010502617X","","neutron","","time-of-flightneutron","","","","","","","","","","1.17","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014981","17.998","0.005","7.112","0.003","20.39","0.006","90","","90","","90","","2610","1.5","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-acetamido-N-benzyl-2-(methoxyamino)acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C96 H136 N24 O24 -","8","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.0886","0.0624","","","0.1378","0.1464","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014982","4.859","0.002","10.587","0.003","14.168","0.004","86.84","0.02","80.66","0.03","80.28","0.03","708.6","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-acetamido-N-benzyl-2-[methoxy(methyl)amino]acetamide","","- C13 H19 N3 O3 -","- C13 H19 N3 O3 -","- C26 H38 N6 O6 -","2","1","FG1843","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","2-Acetamido-<i>N</i>-benzyl-2-(methoxyamino)acetamides: functionalized amino acid anticonvulsants","Acta Crystallographica Section C","2005","61","7","o417","o419","10.1107/S0108270105014745","","","1.54178","CuKα","","0.1628","0.1018","","","0.2291","0.2499","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014983","10.1428","0.0003","8.0965","0.0002","23.0557","0.0007","90","","95.4912","0.0014","90","","1884.67","0.09","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(4-ferrocenylbenzoyl)amino]-3-thiophenecarboxylate","","- C23 H19 Fe N O3 S -","- C23 H19 Fe N O3 S -","- C92 H76 Fe4 N4 O12 S4 -","4","1","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.0535","0.0357","","","0.0802","0.088","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014984","12.7466","0.0004","12.8752","0.0008","13.5661","0.0007","91.811","0.003","106.096","0.003","92.735","0.003","2134.35","0.19","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Ethyl 2-[(4-ferrocenylbenzoyl)amino]-4-(1,3-thiazole)acetate","","- C24 H22 Fe N2 O3 S -","- C24 H22 Fe N2 O3 S -","- C96 H88 Fe4 N8 O12 S4 -","4","2","FG1846","Alley, Steven; Gallagher, John F.; Hooper, Vincent M.; Kenny, Peter T. M.; Lough, Alan J.","Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocene derivative containing a thiazole moiety","Acta Crystallographica Section C","2005","61","7","m365","m369","10.1107/S010827010501783X","","","0.71073","MolybdenumKα","","0.1161","0.05","","","0.1032","0.1268","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014985","13.476","0.003","7.3396","0.0015","13.166","0.003","90","","110","0.03","90","","1223.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bisaquabarium(II)-μ-benzene-1,3-dioxyacetato-κ^3^O,O':O'']","","- C10 H12 Ba O8 -","- C10 H12 Ba O8 -","- C40 H48 Ba4 O32 -","4","1","FG1847","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","Poly[[diaquabarium(II)]-μ~5~-<i>m</i>-phenylenedioxydiacetato]: a three-dimensional barium(II) coordination polymer","Acta Crystallographica Section C","2005","61","7","m348","m350","10.1107/S0108270105017828","","","0.71073","MoKα","","0.0319","0.0275","","","0.0706","0.0726","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014986","9.9731","0.0006","12.3273","0.0007","18.2323","0.0011","90","","91.508","0.001","90","","2240.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(1H-benzimidazol-2-ylmethyl)amine monohydrate","","- C24 H23 N7 O -","- C24 H23 N7 O -","- C96 H92 N28 O4 -","4","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.0591","0.0395","","","0.1066","0.1151","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014987","9.778","0.004","9.995","0.002","14.397","0.006","103.34","0.01","98.16","0.01","102.34","0.01","1310.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tris(1H-benzimidazol-2-ylmethyl)amine‒water‒methanol‒acetonitrile (1/1.5/0.5/1)","","- C26.5 H29 N8 O2 -","- C26.5 H28.5 N8 O2 -","- C53 H57 N16 O4 -","2","1","FG1867","Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su","Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts","Acta Crystallographica Section C","2005","61","9","o533","o536","10.1107/S0108270105023553","","","0.71073","MoKα","","0.067","0.0448","","","0.1017","0.1133","","","","","","1.008","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2014988","28.513","0.012","9.007","0.005","7.471","0.003","90","","99.83","0.03","90","","1890.5","1.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.1073","0.0639","","","0.1483","0.1742","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014989","31.793","0.018","7.308","0.002","10.553","0.003","90","","97.02","0.03","90","","2433.5","1.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzyl 3,5-dimethylpyrrole-2-carboxylate","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0679","0.0495","","","0.1296","0.1441","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014990","13.473","0.003","14.359","0.003","7.489","0.002","90","","100.47","0.02","90","","1424.7","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","benzyl 4-acetyl-3,5-dimethylpyrrole-2-carboxylate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0486","0.0427","","","0.1146","0.1203","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014991","8.15","0.004","16.04","0.006","7.908","0.004","90","","95.31","0.03","90","","1029.3","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 3,5-dimethylpyrrole-2,4-dicarboxylate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0485","0.0466","","","0.1324","0.1341","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014992","5.179","0.002","13.986","0.004","22.315","0.013","90","","90.09","0.04","90","","1616.4","1.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-ethyl-3,5-dimethyl-2-[(2-p-tosyl)acetyl]pyrrole","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0664","0.0479","","","0.1114","0.1226","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014993","7.281","0.003","10.363","0.006","11.003","0.007","65.11","0.05","84.61","0.05","86.65","0.04","749.6","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","ethyl 4-(2-ethoxycarbonyl-2-hydroxyacryloyl)-3,5-dimethylpyrrole-2-carboxylate","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C30 H38 N2 O12 -","2","1","FG1869","Senge, Mathias O.; Smith, Kevin M.","Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole","Acta Crystallographica Section C","2005","61","9","o537","o541","10.1107/S0108270105023991","","","0.71073","MoKα","","0.0998","0.0662","","","0.1662","0.1916","","","","","","1.023","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014994","13.353","0.002","13.37","0.002","13.6","0.003","90","","96.796","0.011","90","","2410.9","0.7","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C23 H22 F6 O4 S2 -","- C23 H22 F6 O4 S2 -","- C92 H88 F24 O16 S8 -","4","1","FG1872","Pu, Shou-Zhi; Yang, Tian-She; Wang, Ru-Ji; Xu, Jing-Kun","1,2-Bis[5-(1,3-dioxolan-2-yl)-2-ethyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, a photochromic dithienylethene","Acta Crystallographica Section C","2005","61","9","o568","o570","10.1107/S0108270105025758","","","0.71073","MoKα","","0.0606","0.0494","","","0.1341","0.1443","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014995","8.3049","0.0004","27.1833","0.0016","8.9868","0.0005","90","","90","","90","","2028.81","0.19","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","Diacetatobis(2-aminobenzothiazole-κN)cobalt(II)","","- C18 H18 Co N4 O4 S2 -","- C18 H18 Co N4 O4 S2 -","- C72 H72 Co4 N16 O16 S8 -","4","1","FR1521","Hümeyra Batı; Hanife Saraçoĝlu; Nezihe Çalıs̨kan; Serkan Soylu","Diacetatobis(2-aminobenzothiazole-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2005","61","7","m342","m343","10.1107/S0108270105016811","","","0.71073","MoKα","","0.0261","0.0247","","","0.0623","0.0629","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014996","7.7406","0.0007","14.9682","0.0014","5.4928","0.0007","90","","90","","90","","636.41","0.12","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","0.5","FR1522","Geith, Janna; Klapötke, Thomas M.; Mayer, Peter; Schulz, Axel; Weigand, Jan J.","3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione: short intermolecular contacts determining the crystal packing","Acta Crystallographica Section C","2005","61","9","o545","o547","10.1107/S0108270105023231","","","0.71073","MoKα","","0.0464","0.0326","","","0.0858","0.0918","","","","","","0.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014997","7.047","0.0008","14.4473","0.0012","8.1165","0.0008","90","","90.814","0.008","90","","826.26","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-N-(2-nitrophenyl)nitramine","N-methyl-N,2-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0404","0.0315","","","0.0856","0.0894","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014998","8.7322","0.0011","13.651","0.0016","7.5547","0.0012","90","","111.195","0.013","90","","839.6","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(3-nitrophenyl)nitramine","N-methyl-N,3-dinitroaniline","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","FR1523","Zarychta, Bartosz; Piecyk-Mizgała, Anna; Daszkiewicz, Zdzisław; Zaleski, Jacek","<i>N</i>-Methyl-<i>N</i>-(2-nitrophenyl)nitramine and <i>N</i>-methyl-<i>N</i>-(3-nitrophenyl)nitramine","Acta Crystallographica Section C","2005","61","8","o515","o517","10.1107/S010827010502158X","","","0.71073","MoKα","","0.0341","0.0291","","","0.0757","0.0782","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014999","23.005","0.003","9.2208","0.0012","7.9222","0.0011","90","","103.2","0.003","90","","1636.1","0.4","193.15","","193.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ~2~-thiocyanato-μ~2~-1,4-bis(1,2,4-triazol-1- ylmethyl)benzene]","","- C14 H12 Cu N8 S2 -","- C14 H12 Cu N8 S2 -","- C56 H48 Cu4 N32 S8 -","4","0.5","GA1092","Yan-Fen Peng; Xun-Gao Liu; Bao-Zong Li; Bao-Long Li; Yong Zhang","A novel three-dimensional copper(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and thiocyanate","Acta Crystallographica Section C","2005","61","7","m333","m336","10.1107/S0108270105016057","","","0.71073","MoKα","","0.0314","0.0295","","","0.0773","0.0785","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015000","14.6464","0.0006","10.6667","0.0004","20.4459","0.0008","90","","95.523","0.001","90","","3179.4","0.2","187","1","187","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","thiamine tetraphenylborate monohydrate","3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium tetraphenylborate monohydrate","","- C36 H39 B N4 O2 S -","- C36 H39 B N4 O2 S -","- C144 H156 B4 N16 O8 S4 -","4","1","GD1390","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Thiamine tetraphenylborate monohydrate: a two-dimensional hydrogen-bonded network with (4,4)-topology","Acta Crystallographica Section C","2005","61","7","o457","o459","10.1107/S0108270105015714","","","0.71073","MoKα","","0.0615","0.0476","","","0.1142","0.123","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015001","28.882","0.006","9.198","0.002","5.605","0.001","90","","90","","90","","1489","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride","","- C15 H14 Cl N3 S -","- C15 H14 Cl N3 S -","- C60 H56 Cl4 N12 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.0923","0.0565","","","0.1158","0.1235","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015002","7.988","0.002","14.15","0.003","14.545","0.003","74.77","0.03","89.6","0.02","80.79","0.02","1564.8","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C68 H64 N16 S4 -","4","2","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1177","0.0729","","","0.1634","0.1766","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015003","7.472","0.003","16.437","0.004","15.532","0.002","90","","101.41","0.02","90","","1869.9","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(biphenyl-4-yl)-2-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazol-3-ium chloride methanol solvate","","- C18 H21 Cl N4 O S -","- C18 H21 Cl N4 O S -","- C72 H84 Cl4 N16 O4 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.1815","0.092","","","0.2327","0.2642","","","","","","0.889","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015004","8.244","0.001","8.319","0.001","12.722","0.001","77.864","0.007","77.502","0.006","66.214","0.005","772.05","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","(E)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine","(E)-8-(3-chlorostyryl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione","","- C16 H15 Cl N4 O2 -","- C16 H15 Cl N4 O2 -","- C32 H30 Cl2 N8 O4 -","2","1","GD1409","Frédérick, Raphaël; Ooms, Frederic; Castagnoli Jr, Neal; Petzer, Jacques P.; Feng, Jiang-Fan; Schwarzschild, Michael A.; Van der Schyf, Cornelis J.; Wouters, Johan","(<i>E</i>)-8-(3-Chlorostyryl)-1,3,7-trimethylxanthine, a caffeine derivative acting both as antagonist of adenosine A2A receptors and as inhibitor of MAO-B","Acta Crystallographica Section C","2005","61","9","o531","o532","10.1107/S0108270105023140","","","1.54175","CuKα","","0.0493","0.046","","","0.1282","0.1321","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015005","13.6775","0.0005","14.0221","0.0005","17.2879","0.0006","111.776","0.001","91.679","0.001","104.212","0.001","2957.96","0.18","90","1","90","1","","","","","","","","6","P -1","-P 1","2","[Cu(dmp)2]2[PF6]2ACN0.5bpmh","Bis[bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I)] bis(hexafluorophosphate) hemi[bis(4-pyridylmethylidyne)hydrazine] acetonitrile solvate","","- C64 H56 Cu2 F12 N11 P2 -","- C64 H56 Cu2 F12 N11 P2 -","- C128 H112 Cu4 F24 N22 P4 -","2","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0357","0.0301","","","0.0779","0.0821","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015006","15.0055","0.0005","10.3286","0.0003","16.8878","0.0005","90","","101.138","0.001","90","","2568.07","0.14","90","1","90","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu(dmp)2]dca","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) dicyanamide","","- C30 H24 Cu N7 -","- C30 H24 Cu N7 -","- C120 H96 Cu4 N28 -","4","1","GG1253","Graham King; Milan Gembicky; Philip Coppens","Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)~2~]~2~(PF~6~)~2~·0.5(bpmh)·CH~3~CN and [Cu(dmp)~2~][N(CN)~2~]","Acta Crystallographica Section C","2005","61","7","m329","m332","10.1107/S0108270105010760","","","0.71073","MoKα","","0.0371","0.0291","","","0.0783","0.0847","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015007","14.9365","0.0018","9.6588","0.0013","13.7975","0.0016","90","","107.907","0.009","90","","1894.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Triphenylphosphoranylidene)pentane-2,4-dione","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C92 H84 O8 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.0501","0.0395","","","0.0999","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015008","12.572","0.014","9.022","0.012","19.52","0.02","90","","90.12","0.02","90","","2214","4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2-(triphenylphosphoranylidene)malonate","","- C25 H25 O4 P -","- C25 H25 O4 P -","- C100 H100 O16 P4 -","4","1","GG1259","Fernando Castañeda; Christian Aliaga; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate","Acta Crystallographica Section C","2005","61","8","o496","o499","10.1107/S0108270105015064","","","0.71073","MoKα","","0.061","0.0467","","","0.1194","0.1287","","","","","","1.098","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015009","9.789","0.002","20.083","0.004","11.746","0.002","90","","111.52","0.03","90","","2148.2","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Tri-tert-butylsilanethiolato-κ^2^S:S-bis[(tetrahydrofuran-κO)lithium(I)]","","- C32 H70 Li2 O8 S2 Si2 -","- C32 H70 Li2 O8 S2 Si2 -","- C64 H140 Li4 O16 S4 Si4 -","2","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.1079","0.0612","","","0.1952","0.2203","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015010","8.721","0.002","9.305","0.002","14.048","0.003","82.24","0.03","72.91","0.03","64.01","0.03","979.4","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis(μ-tri-tert-butylsilanethiolato)-1:2κ^2^S;1κS:2κS,O- dilithium(I)]-μ-dimethoxyethane-κ^2^O:O']","","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","- C28 H64 Li2 O8 S2 Si2 -","1","0.5","GG1262","Elżbieta Jesionka; Anna Ciborska; Jaroslaw Chojnacki; Wieslaw Wojnowski","(μ-Tri-<i>tert</i>-butoxysilanethiolato)bis[(tetrahydrofuran)lithium(I)] and <i>catena</i>-poly[[bis(μ-tri-<i>tert</i>-butoxysilanethiolato)dilithium(I)]-μ-dimethoxyethane]: solvent coordination as the structure-forming factor","Acta Crystallographica Section C","2005","61","7","m321","m323","10.1107/S0108270105015076","","","0.71073","MoKα","","0.0523","0.0486","","","0.1252","0.1273","","","","","","1.054","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015011","8.9906","0.0006","5.2987","0.0004","11.4786","0.0008","90","","97.041","0.002","90","","542.7","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-proline","DL-proline","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","GG1265","Myung, Sunnie; Pink, Maren; Baik, Mu-Hyun; Clemmer, David E.","<small>DL</small>-Proline","Acta Crystallographica Section C","2005","61","8","o506","o508","10.1107/S0108270105021001","","","0.71073","MoKα","","0.043","0.0395","","","0.1103","0.1137","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015012","19.2181","0.0006","19.2181","0.0006","10.8347","0.0002","90","","90","","90","","4001.64","0.19","120","2","120","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","10-methyl-8-phenyl-11-(3-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","1","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.0634","0.041","","","0.0812","0.0892","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015013","18.6288","0.0008","19.1956","0.0008","10.8885","0.0003","90","","90","","90","","3893.6","0.3","120","2","120","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","10-methyl-8-phenyl-11-(4-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","GG1280","Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules","Acta Crystallographica Section C","2005","61","8","o490","o492","10.1107/S0108270105021876","","","0.71073","MoKα","","0.1002","0.0647","","","0.1372","0.1519","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015014","9.706","0.005","12.141","0.005","17.753","0.005","90","","120.372","0.017","90","","1804.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-ethyl-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-thiocarboxamide","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C76 H80 F4 N12 O4 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0474","0.0337","","","0.0867","0.0915","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015015","9.4191","0.0017","12.2032","0.0011","14.673","0.002","90","","103.063","0.014","90","","1642.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-fluorophenyl)-N-methyl-5-(4-methylphenyl)-2-pyrazoline-1-thiocarboxamide","","- C18 H18 F N3 S -","- C18 H18 F N3 S -","- C72 H72 F4 N12 S4 -","4","1","GG1282","Yavuz Köysal; Şamil Işık; Gülay Şahin; Erhan Palaska","Two <i>N</i>-substituted 3,5-diphenyl-2-pyrazoline-1-thiocarboxamides","Acta Crystallographica Section C","2005","61","9","o542","o544","10.1107/S0108270105023255","","","0.71073","MoKα","","0.0562","0.0432","","","0.1222","0.1397","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015016","6.6037","0.0005","11.3935","0.001","30.143","0.002","90","","90","","90","","2267.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-dichlorobis[(1R,2R,3R,5S)-(-)-isopinocampheylamine]palladium(II)","trans-dichlorobis[(1R,2R,3R,5S)-(-)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amine]palladium(II)","","- C20 H38 Cl2 N2 Pd -","- C20 H38 Cl2 N2 Pd -","- C80 H152 Cl8 N8 Pd4 -","4","1","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0436","0.0357","","","0.0829","0.0866","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015017","6.6873","0.0008","13.427","0.002","28.159","0.004","90","","90","","90","","2528.4","0.6","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","trans-dichlorobis[(1S,2S,3S,5R)-(+)-isopinocampheylamine]palladium(II) hemihydrate","trans-dichlorobis[(1S,2S,3S,5R)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amino]palladium(II) hemihydrate","","- C20 H39 Cl2 N2 O0.5 Pd -","- C20 H39 Cl2 N2 O0.5 Pd -","- C80 H156 Cl8 N8 O2 Pd4 -","4","0.5","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0492","0.0404","","","0.1055","0.1142","","","","","","1.105","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015018","12.566","0.005","12.566","0.005","38.708","0.005","90","0.005","90","0.005","90","0.005","6112","4","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","pIsodApC","4-amino-1-(6-O-{[2-(6-aminopurin-9-yl)-6-O-hydroxy(oxido)phosphoryl-1,2,5- trideoxy-3-furanosyl]oxidophosphoryl}-1,5-dideoxy-1-furanosyl)pyrimidin- 2(1H)-one 6.5 hydrate","","- C19 H39 N8 O19.5 P2 -","- C19 H39 N8 O19.5 P2 -","- C152 H312 N64 O156 P16 -","8","1","HJ1051","M. Gary Newton; Charles F. Campana; Guo-Chen Chi; Doowon Lee; Zhi-Jie Liu; Vasu Nair; James Phillips; John P. Rose; B.-C. Wang","A non-natural dinucleotide containing an isomeric <small>L</small>-related deoxynucleoside: dinucleotide inhibitors of anti-HIV integrase activity","Acta Crystallographica Section C","2005","61","8","o518","o520","10.1107/S0108270105019037","","","1.54178","CuKα","","0.047","0.0469","","","0.1241","0.1243","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015019","25.486","0.003","4.8964","0.0013","12.605","0.003","90","","99.44","0.03","90","","1551.7","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(2-hydroxybenzylidene)amino]benzensulfonamide monohydrate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0954","0.0544","","","0.1008","0.1133","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015020","26.858","0.003","4.855","0.002","12.708","0.003","90","","91.428","0.012","90","","1656.6","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sulfonamide","N-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","","- C15 H15 Br N2 O5 S -","- C15 H15 Br N2 O5 S -","- C60 H60 Br4 N8 O20 S4 -","4","1","HJ1053","Chumakov, Yurii M.; Tsapkov, Victor I.; Bocelli, Gabriele; Antosyak, Boris Ya.","<i>N</i>-Acetyl-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate and <i>N</i>-acetyl-4-[(5-bromo-2-hydroxybenzylidene)amino]benzenesulfonamide monohydrate","Acta Crystallographica Section C","2005","61","7","o460","o463","10.1107/S0108270105017853","","","0.71073","MoKα","","0.0438","0.0334","","","0.0815","0.0847","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015021","22.751","0.009","14.016","0.006","13.36","0.01","90","","90","","90","","4260","4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[N,N'-bis(5-methoxysalicylidene)ethylenediaminato- κ^4^O,N,N',O']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0889","0.0559","","","0.1518","0.1738","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015022","8.072","0.005","21.27","0.01","13.712","0.007","90","","106.01","0.06","90","","2263","2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua[N,N'-bis(3,5-dichlorosalicylidene)ethylendiaminato- κ^4^O,N,N',O'](methanol-κO)manganese(III) perchlorate","","- C17 H16 Cl5 Mn N2 O8 -","- C17 H16 Cl5 Mn N2 O8 -","- C68 H64 Cl20 Mn4 N8 O32 -","4","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0562","0.0459","","","0.1293","0.1372","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015023","15.226","0.006","13.026","0.004","10.865","0.004","90","","99.58","0.03","90","","2124.8","1.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[μ-N,N'-bis(3-methoxysalicylidene)ethylenediaminato- κ^5^O,N,N',O':O]bis[(methanol-κO)manganese(III)] diperchlorate","","- C38 H44 Cl2 Mn2 N4 O18 -","- C38 H44 Cl2 Mn2 N4 O18 -","- C76 H88 Cl4 Mn4 N8 O36 -","2","0.5","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0413","0.0345","","","0.0962","0.1011","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015024","8.4695","0.0018","20.686","0.004","10.269","0.002","90","","93.655","0.003","90","","1795.5","0.6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a,6a-Diphenylglycoluril hydrogen sulfate","cis-1,5-Diphenyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-dione hydrogen sulfate 5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-yloxonium hydrogen sulfate","","- C16 H16 N4 O6 S -","- C16 H16 N4 O6 S -","- C64 H64 N16 O24 S4 -","4","1","HJ1059","Huo, Fang-Jun; Yin, Cai-Xia; Yang, Pin","An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril","Acta Crystallographica Section C","2005","61","8","o500","o502","10.1107/S0108270105019530","","","0.71073","MoKα","","0.0859","0.0773","","","0.1453","0.149","","","","","","1.281","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015025","6.5951","0.0008","13.492","0.0013","7.2032","0.0009","90","","113.084","0.012","90","","589.63","0.13","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2'-Dimethyl-4,5'-dinitro-1H,3'H-1,4'-biimidazole monohydrate","","- C8 H10 N6 O5 -","- C8 H10 N6 O5 -","- C16 H20 N12 O10 -","2","1","HJ1060","Kubicki, Maciej","2,2'-Dimethyl-4,5'-dinitro-1<i>H</i>,3'<i>H</i>-1,4'-biimidazole monohydrate","Acta Crystallographica Section C","2005","61","8","o512","o514","10.1107/S0108270105020913","","","0.71073","MoKα","","0.0617","0.0345","","","0.045","0.0492","","","","","","0.835","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015026","10.1163","0.0002","8.588","0.004","10.3823","0.0006","90","","118.39","0.03","90","","793.5","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","potassium cerium bis(sulfate) monohydrate","","- Ce H2 K O9 S2 -","- Ce H2 K O9 S2 -","- Ce4 H8 K4 O36 S8 -","4","1","IZ1048","Jemmali, Mosbah; Walha, Siwar; Ben Hassen, Rached; Petricek Vaclac","Potassium cerium(III) bis(sulfate) monohydrate, KCe(SO~4~)~2~·H~2~O","Acta Crystallographica Section C","2005","61","7","i73","i75","10.1107/S0108270105006219","","","0.71069","MoKα","","0.0501","0.0202","","","0.0486","0.0548","","","","","","1.18","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015027","5.7155","0.00005","11.2429","0.0001","25.2146","0.0002","90","","90","","90","","1620.26","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","pentalanthanum hexamolybdenum henicosaoxide","","- La5 Mo6 O21 -","- La5 Mo6 O21 -","- La20 Mo24 O84 -","4","1","IZ1055","Gall, P.; Gougeon, P.","La~5~Mo~6~O~21~: a novel ternary reduced molybdenum oxide containing {Mo^IV^}~3~ clusters and isolated Mo^V^ centres","Acta Crystallographica Section C","2005","61","7","i69","i70","10.1107/S0108270105015386","","","0.71069","MoKα","","0.0418","0.036","","","0.0841","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015028","7.8026","0.0005","7.8026","0.0005","14.188","0.0009","90","","90","","90","","863.77","0.1","293","2","293","2","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","pentasamarium trigallium","","- Ga3 Sm5 -","- Ga3 Sm5 -","- Ga12 Sm20 -","4","0.25","IZ1058","Feng, Guo-Hua; Lacroix-Orio, Laurence; Tillard, Monique; Belin, Claude","Sm~5~Ga~3~","Acta Crystallographica Section C","2005","61","7","i71","i72","10.1107/S0108270105017324","","","0.71073","MoKα","","0.026","0.026","","","0.0554","0.0554","","","","","","1.519","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015029","5.5","0.001","5.72","0.001","6.685","0.001","98.9","0.03","94.6","0.03","107.55","0.03","196.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","indium arsenate hydrate","indium arsenate(V) monohydrate","","- As H2 In O5 -","- As H2 In O5 -","- As2 H4 In2 O10 -","2","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0128","0.0125","","","0.0329","0.0331","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015030","4.955","0.001","8.591","0.002","15.874","0.003","90","","92.38","0.03","90","","675.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lead indium arsenate","lead(II) indium arsenate(V) hydrogen arsenate(V)","","- As2 H In O8 Pb -","- As2 In O8 Pb -","- As8 In4 O32 Pb4 -","4","1","IZ1060","Kolitsch, Uwe; Schwendtner, Karolina","Octahedral‒tetrahedral framework structures of InAsO~4~·H~2~O and PbIn(AsO~4~)(AsO~3~OH)","Acta Crystallographica Section C","2005","61","9","i86","i89","10.1107/S0108270105022894","","","0.71073","MoKα","","0.0696","0.0469","","","0.11","0.1209","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015031","9.627","0.003","9.627","0.003","12.601","0.004","90","","90","","120","","1011.4","0.5","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Silver(I) trimercury(II) antimonate(V)","","- Ag Hg3 O6 Sb -","- Ag Hg3 O6 Sb -","- Ag6 Hg18 O36 Sb6 -","6","0.166667","IZ1063","Klein, Wilhelm; Jansen, Martin","Silver(I) trimercury(II) antimonate(V), AgHg~3~SbO~6~","Acta Crystallographica Section C","2005","61","9","i94","i95","10.1107/S0108270105024625","","","0.71073","MoKα","","0.049","0.0358","","","0.0578","0.0604","","","","","","0.848","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015032","11.805","0.002","6.021","0.001","8.749","0.002","90","","111.63","0.03","90","","578.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(glycine) nickel(II) dibromide dihydrate","catena-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide]","","- C4 H14 Br2 N2 Ni O6 -","- C4 H14 Br2 N2 Ni O6 -","- C8 H28 Br4 N4 Ni2 O12 -","2","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0347","0.0258","","","0.0516","0.0551","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015033","10.587","0.002","12.899","0.003","7.714","0.002","90","","90","","90","","1053.4","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Glycine magnesium(II) dichloride tetrahydrate","catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","","- C2 H13 Cl2 Mg N O6 -","- C2 H13 Cl2 Mg N O6 -","- C8 H52 Cl8 Mg4 N4 O24 -","4","0.5","JZ1726","Michel Fleck; Ladislav Bohatý","Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]","Acta Crystallographica Section C","2005","61","9","m412","m416","10.1107/S0108270105023619","","","0.71073","MoKα","","0.0315","0.0278","","","0.0736","0.0766","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015034","14.0875","0.0006","9.7613","0.0004","17.5858","0.0008","90","","100.106","0.003","90","","2380.74","0.18","291","0.3","291","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(2,3-Dichlorophenyl)amino]benzoato-κO}di-μ~2~-ethoxo-octamethyldi- μ~3~-oxo-tetratin(IV)","","- C38 H50 Cl4 N2 O8 Sn4 -","- C38 H50 Cl4 N2 O8 Sn4 -","- C76 H100 Cl8 N4 O16 Sn8 -","2","0.5","JZ1743","Kruszynski, Rafal; Bartczak, Tadeusz J.","Bis{μ-2-[(2,3-dichlorophenyl)amino]benzoato-κ<i>O</i>}di-μ~2~-ethoxo-octamethyldi-μ~3~-oxo-tetratin(IV)","Acta Crystallographica Section C","2005","61","9","m439","m441","10.1107/S0108270105025989","","","0.71073","MoKα","","0.0343","0.0273","","","0.0594","0.063","","","","","","1.149","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015035","9.447","0.0016","6.6805","0.0009","10.6102","0.0017","90","","98.563","0.009","90","","662.15","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methylsulfanyl-1H- pyrazolo[3,4-d]pyrimidine","","- C11 H15 N5 O3 S -","- C11 H15 N5 O3 S -","- C22 H30 N10 O6 S2 -","2","1","JZ1745","Seela, Frank; Jawalekar, Anup M.; Budow, Simone; Eickmeier, Henning","8-Aza-7-deaza-2'-deoxy-2-(methylsulfanyl)adenosine","Acta Crystallographica Section C","2005","61","9","o562","o564","10.1107/S0108270105024327","","","0.71073","MoKα","","0.0535","0.0507","","","0.1541","0.1625","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015036","26.118","0.003","7.8131","0.0009","19.881","0.002","90","","127.005","0.001","90","","3239.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,2,3-tricarboxylic acid‒4,4'-bipyridine (1/1)","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C152 H112 N16 O48 -","8","1","JZ1752","Miao Du; Zhi-Hui Zhang; Yan-Ping You","Co-crystallization of hemimellitic acid with 4,4'-bipyridine forming a pillar-layered hydrogen-bonded network","Acta Crystallographica Section C","2005","61","9","o574","o576","10.1107/S0108270105026442","","","0.71073","MoKα","","0.0549","0.0409","","","0.1232","0.1329","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015037","10.4938","0.0006","18.9715","0.0007","17.8707","0.0011","90","","98.221","0.005","90","","3521.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^5^-cyclopentadienyl)(4-nitrobenzonitrile-κN)(trimethylphosphine- κP)(triphenylphosphite-κP)iron(II) hexafluorophosphate","","- C33 H33 F6 Fe N2 O5 P3 -","- C33 H33 F6 Fe N2 O5 P3 -","- C132 H132 F24 Fe4 N8 O20 P12 -","4","1","OB1231","Duarte, M. Teresa; Piedade, M. Fátima M.; Robalo, M. Paula; Teixeira, António P. S.; Garcia, M. Helena","A supramolecular zigzag chain of organometallic dipoles mediated by PF~6~^{-^} anions","Acta Crystallographica Section C","2005","61","8","m386","m389","10.1107/S0108270105021281","","","1.5418","CuKα","","0.1227","0.0644","","","0.1222","0.1497","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015038","7.587","0.001","14.746","0.002","13.692","0.002","90","","92.53","0.02","90","","1530.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-bis{[1-(pyridin-2-ylmethyliminomethyl)-2-naphtholato]zinc(II)}","","- C34 H26 N10 O2 Zn2 -","- C34 H26 N10 O2 Zn2 -","- C68 H52 N20 O4 Zn4 -","2","0.5","OB1242","You, Zhong-Lu","Di-μ-azido-bis{[1-(2-pyridylmethyliminomethyl)-2-naphtholato]zinc(II)}","Acta Crystallographica Section C","2005","61","9","m432","m434","10.1107/S0108270105026260","","","0.71073","MoKα","","0.0662","0.0457","","","0.1095","0.12","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015039","19.336","0.003","8.2864","0.0013","8.659","0.0014","90","","98.435","0.003","90","","1372.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","O,O'-dimethyl N,N'-(m-phenylenedicarbonyl)dithiocarbamate","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C48 H48 N8 O16 S8 -","4","0.5","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0522","0.0454","","","0.1145","0.119","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015040","6.3603","0.0013","7.7016","0.0015","14.255","0.003","92.496","0.003","97.952","0.003","103.496","0.003","670.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(methoxythiocarbonyl)isophthalamide","","- C12 H12 N2 O4 S2 -","- C12 H12 N2 O4 S2 -","- C24 H24 N4 O8 S4 -","2","1","RB1007","Blewett, Gavin; Bredenkamp, Martin W.; Koch, Klaus R.","Polymorphism in bipodal <i>O</i>,<i>O</i>'-dimethyl <i>N</i>,<i>N</i>'-(<i>m</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2005","61","7","o469","o472","10.1107/S0108270105018494","","","0.71073","MoKα","","0.0798","0.0687","","","0.1447","0.1495","","","","","","1.258","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015041","3.8671","0.0004","14.8937","0.0017","7.6363","0.0009","90","","93.742","0.002","90","","438.88","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[(2,2'-biimidazole-κ^2^N,N')chlorocopper(II)]-μ-chloro]","","- C6 H6 Cl2 Cu N4 -","- C6 H6 Cl2 Cu N4 -","- C12 H12 Cl4 Cu2 N8 -","2","1","RB1010","Mao-Lin Hu; Xiao-Qing Cai; Jiu-Xi Chen","<i>catena</i>-Poly[[(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')chlorocopper(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","9","m403","m405","10.1107/S0108270105022511","","","0.71073","MoKα","","0.057","0.0529","","","0.1015","0.1029","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015042","8.8037","0.0008","12.1484","0.0015","12.9823","0.0017","75.275","0.011","81.075","0.009","80.746","0.009","1315.9","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methoxybenzaldehyde O-(N-phenylcarbamoyl)oxime","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","2","SF1002","Kubicki, Maciej","(<i>E</i>)-4-Methoxybenzaldehyde <i>O</i>-(<i>N</i>-phenylcarbamoyl)oxime","Acta Crystallographica Section C","2005","61","7","o422","o423","10.1107/S0108270105014952","","","0.71073","MoKα","","0.1164","0.0525","","","0.1024","0.1278","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015043","18.4449","0.0005","9.0987","0.0003","18.675","0.0005","90","","90.535","0.002","90","","3133.99","0.16","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","catena-poly[bromotetrakis(μ2-tert-butoxo)- bis(tetrahydrofuran-?O)iron(III)dilithium]","","- C24 H52 Br Fe Li2 O6 -","- C24 H52 Br Fe Li2 O6 -","- C96 H208 Br4 Fe4 Li8 O24 -","4","1","SF1003","Barley, Helen R. L.; Kennedy, Alan R.; Mulvey, Robert E.","A mixed iron(III)/lithium alkoxide","Acta Crystallographica Section C","2005","61","7","m346","m347","10.1107/S0108270105017555","","","0.71073","MoKα","","0.0422","0.0293","","","0.0638","0.0696","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015044","7.633","0.003","15.272","0.006","5.744","0.002","90","","90","","90","","669.6","0.4","98","2","98","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Poly[sodium(I)-μ~2~-tetraethoxyborato]","","- C8 H20 B Na O4 -","- C8 H20 B Na O4 -","- C16 H40 B2 Na2 O8 -","2","0.5","SF1008","Gainsford, Graeme J.; Kemmitt, Tim","<i>catena</i>-Poly[sodium(I)-μ-tetraethoxyborato]","Acta Crystallographica Section C","2005","61","9","m417","m418","10.1107/S0108270105024121","","","0.71073","MoKα","","0.0826","0.0555","","","0.0972","0.1052","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015045","8.4715","0.0017","7.5679","0.0015","11.953","0.002","90","","92.56","0.03","90","","765.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(1,3-diaminopropane-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C8 H20 Cl Cu N7 O4 -","- C8 H20 Cl Cu N7 O4 -","- C16 H40 Cl2 Cu2 N14 O8 -","2","0.5","SK1838","Burčák, Milan; Potočňák, Ivan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. XII. Bis(1,3-diaminopropane-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>)copper(II) perchlorate","Acta Crystallographica Section C","2005","61","7","m353","m355","10.1107/S0108270105016768","","","0.71073","MoKα","","0.0437","0.039","","","0.106","0.1092","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015046","12.076","0.002","6.757","0.002","17.875","0.002","90","","101.88","0.01","90","","1427.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[{4-bromo-2-[2- (dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","","- C11 H14 Br Cu N5 O -","- C11 H14 Br Cu N5 O -","- C44 H56 Br4 Cu4 N20 O4 -","4","1","SK1843","You, Zhong-Lu","<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-azido]","Acta Crystallographica Section C","2005","61","7","m339","m341","10.1107/S0108270105016240","","","0.71073","MoKα","","0.0399","0.029","","","0.0721","0.0771","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015047","22.4142","0.0015","3.8614","0.0002","14.6957","0.001","90","","107.423","0.003","90","","1213.56","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-iodo-N-(2-nitrobenzylidene)aniline","","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","- C52 H36 I4 N8 O8 -","1","0.125","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0544","0.0433","","","0.1034","0.1071","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015048","12.683","0.0007","14.9491","0.0008","6.8707","0.0004","90","","97.849","0.001","90","","1290.48","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-iodo-N-(3-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0893","0.0388","","","0.0685","0.0819","","","","","","0.894","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015049","12.5676","0.0004","7.8818","0.0002","13.511","0.0004","90","","109.633","0.0013","90","","1260.53","0.06","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-iodo-N-(2-nitrobenzylidene)aniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","2","SK1846","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Solvent-dependent polymorphism in isomeric <i>N</i>-(nitrobenzylidene)iodoanilines","Acta Crystallographica Section C","2005","61","7","o445","o449","10.1107/S0108270105016239","","","0.71073","MoKα","","0.0263","0.025","","","0.0657","0.0669","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015050","11.1485","0.0012","12.3739","0.0015","11.7412","0.0012","90","","108.894","0.006","90","","1532.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-5-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK1847","Mera, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","A monoclinic polymorph of 3,7,7-trimethyl-1-phenyl-5,6,7,8-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolin-5-one","Acta Crystallographica Section C","2005","61","7","o442","o444","10.1107/S0108270105016501","","","0.71073","MoKα","","0.1282","0.0651","","","0.1505","0.1792","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015051","13.2882","0.0007","6.8383","0.0004","15.1947","0.0008","90","","104.018","0.003","90","","1339.6","0.13","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-(4-methylphenyl)-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.1461","0.0639","","","0.1399","0.1751","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015052","13.68","0.0011","6.6669","0.0006","15.201","0.0016","90","","106.98","0.006","90","","1325.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0959","0.0558","","","0.1245","0.1405","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015053","13.5387","0.0006","6.8551","0.0002","15.2767","0.0007","90","","105.708","0.002","90","","1364.87","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-bromophenyl)-5-methyl-7,8-dihydro-6H- cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C16 H14 Br N3 -","- C16 H14 Br N3 -","- C64 H56 Br4 N12 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0563","0.0369","","","0.0881","0.0957","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015054","9.4691","0.0003","8.1711","0.0002","18.0278","0.0006","90","","95.343","0.0014","90","","1388.8","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-methoxyphenyl)-5-methyl- 7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","SK1849","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine, and sheets of π-stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6<i>H</i>-cyclopenta[<i>g</i>]pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","2005","61","7","o452","o456","10.1107/S0108270105016720","","","0.71073","MoKα","","0.0584","0.0424","","","0.1169","0.1261","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015055","10.3792","0.0004","13.6412","0.0006","9.8265","0.0004","90","","107.383","0.0011","90","","1327.74","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Iodo-N-(4-nitrophenyl)benzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1850","Garden, Simon J.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Iodo-<i>N</i>-(4-nitrophenyl)benzamide forms hydrogen-bonded sheets of <i>R</i>~4~^4^(24) rings","Acta Crystallographica Section C","2005","61","7","o450","o451","10.1107/S0108270105017312","","","0.71073","MoKα","","0.0863","0.0582","","","0.168","0.1879","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015056","11.7121","0.0012","10.1984","0.001","11.9712","0.0012","90","","93.438","0.002","90","","1427.3","0.2","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(ethylenediaminium) diniobium trioxide octafluoride","","- C4 H20 F8 N4 Nb2 O3 -","- C4 H20 F8 N4 Nb2 O3 -","- C16 H80 F32 N16 Nb8 O12 -","4","1","SK1851","Nicholas F. Stephens; Philip Lightfoot","Ethylenediaminium niobium oxyfluoride","Acta Crystallographica Section C","2005","61","7","m344","m345","10.1107/S0108270105018032","","","0.71073","MoKα","","0.0262","0.0232","","","0.0591","0.0604","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015057","5.958","0.004","12.854","0.004","7.06","0.011","90","","100.26","0.07","90","","532","0.9","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-(2-Pyridyl)pyridinium perchlorate","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","SK1853","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","2-(2-Pyridyl)pyridinium perchlorate, redetermined at 120K: complex hydrogen-bonded sheets","Acta Crystallographica Section C","2005","61","8","o473","o474","10.1107/S0108270105018810","","","0.71073","MoKα","","0.0536","0.0436","","","0.1079","0.1152","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015058","7.087","0.0002","10.1321","0.0004","11.7977","0.0005","87.501","0.002","73.171","0.003","74.828","0.002","782.13","0.05","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","8-methyl-10-phenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.06","0.0433","","","0.1045","0.1135","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015059","11.5561","0.0004","17.6751","0.0007","9.8469","0.0003","90","","98.599","0.002","90","","1988.67","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7,10-diphenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline","","- C27 H21 N3 -","- C27 H21 N3 -","- C108 H84 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0788","0.0477","","","0.1132","0.1264","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015060","12.0313","0.0003","14.3347","0.0004","12.7956","0.0003","90","","109.309","0.0014","90","","2082.66","0.09","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-7-(4-methylphenyl)-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0806","0.0504","","","0.1128","0.1289","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015061","12.9148","0.0003","17.5938","0.0005","9.8192","0.0002","90","","104.337","0.0017","90","","2161.64","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-methoxyphenyl)-8-methyl-10-phenyl-6,10-dihydro-5H- benzo[h]pyrazolo[3,4-b]quinoline","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","SK1854","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Effect of substitution on the dimensionality of supramolecular aggregation in dihydrobenzopyrazoloquinolines","Acta Crystallographica Section C","2005","61","8","o483","o489","10.1107/S0108270105020093","","","0.71073","MoKα","","0.0793","0.044","","","0.0979","0.1122","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015062","38.419","0.003","6.8061","0.0004","28.813","0.003","90","","117.115","0.012","90","","6706.1","1.2","122","1","122","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E,E)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","","- C39.5 H34 O3 S3 -","- C39.5 H34 O3 S3 -","- C316 H272 O24 S24 -","8","1","SK1855","Henning Osholm Sørensen; Magnus Magnussen; Nicolai Stuhr-Hansen","(<i>E</i>,<i>E</i>,<i>E</i>)-1,3,5-Tris[4-(acetylsulfanyl)styryl]benzene toluene hemisolvate","Acta Crystallographica Section C","2005","61","8","o503","o505","10.1107/S0108270105020949","","","0.71073","MoKα","","0.0672","0.0481","","","0.113","0.1247","","","","","","1.087","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015063","7.668","0.002","13.691","0.003","14.698","0.003","90","","90","","90","","1543","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II)","","- C11 H15 Cl2 N3 O3 Zn -","- C11 H15 Cl2 N3 O3 Zn -","- C44 H60 Cl8 N12 O12 Zn4 -","4","1","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0509","0.0429","","","0.0799","0.0838","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015064","12.181","0.002","12.312","0.002","12.596","0.002","66.673","0.001","70.632","0.001","69.149","0.001","1580.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) hemihydrate","","- C11 H16 Cl2 N3 O3.5 Zn -","- C11 H16 Cl2 N3 O3.5 Zn -","- C44 H64 Cl8 N12 O14 Zn4 -","4","2","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0629","0.0435","","","0.1162","0.1276","","","","","","0.991","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015065","31.4722","0.0012","31.4722","0.0012","3.656","0.0001","90","","90","","90","","3621.3","0.2","120","2","120","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Glyoxal 4-nitrophenylhydrazone","","- C8 H7 N3 O3 -","- C8 H7 N3 O3 -","- C128 H112 N48 O48 -","16","1","SK1857","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Glyoxal 4-nitrophenylhydrazone: triple helices linked into a three-dimensional channel structure","Acta Crystallographica Section C","2005","61","8","o493","o495","10.1107/S0108270105020834","","","0.71073","MoKα","","0.0484","0.0368","","","0.0933","0.0975","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015066","18.5438","0.001","7.2746","0.0003","19.8774","0.0011","90","","106.578","0.004","90","","2570","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[aquabis(1,10-phenanthroline-κ^2^N,N')lead(II)]- μ~1,2,3~-squarato-κO:O':O''] dihydrate]","","- C28 H22 N4 O7 Pb -","- C28 H22 N4 O7 Pb -","- C112 H88 N16 O28 Pb4 -","4","1","SK1858","Uçar, İbrahim; Bulut, Ahmet; Kazak, Canan","A bicapped trigonal‒prismatic lead complex: <i>catena</i>-poly[[[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-μ-squarato-κ<i>O</i>^1^:κ^2^<i>O</i>^2^,<i>O</i>^3^] dihydrate]","Acta Crystallographica Section C","2005","61","9","m428","m431","10.1107/S0108270105024613","","","0.71073","MoKα","","0.0337","0.0272","","","0.0665","0.0684","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015067","8.286","0.001","8.946","0.001","11.971","0.002","110.019","0.002","92.705","0.002","91.482","0.002","832","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","di-μ-thiocyanato-bis((methanol){4-nitro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}cadmium(II)]","","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","- C26 H36 Cd2 N8 O8 S2 -","1","0.5","SK1859","You, Zhong-Lu; Zhu, Hai-Liang","A novel thiocyanate-bridged dinuclear cadmium(II) complex: di-μ-thiocyanato-bis((methanol){4-nitro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}cadmium(II))","Acta Crystallographica Section C","2005","61","8","m397","m399","10.1107/S0108270105021906","","","0.71073","MoKα","","0.0255","0.0245","","","0.0615","0.0623","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015068","11.7286","0.0003","7.0215","0.0002","23.7552","0.0006","90","","100.263","0.0012","90","","1925","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-benzylidenene-2-thioxothiazolidin-4-one","","- C10 H7 N O S2 -","- C10 H7 N O S2 -","- C80 H56 N8 O8 S16 -","8","2","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0654","0.0376","","","0.0841","0.0951","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015069","4.9428","0.0001","20.0473","0.0008","10.7834","0.0004","90","","90.753","0.002","90","","1068.43","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O S2 -","- C11 H9 N O S2 -","- C44 H36 N4 O4 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0413","0.033","","","0.0816","0.0861","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015070","5.2859","0.0002","6.2263","0.0003","17.1885","0.0008","91.753","0.002","95.326","0.003","90.129","0.003","562.99","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(Z)-2-thioxo-5-(4-trifluoromethylbenzylidenene)thiazolidin-4-one","","- C11 H6 F3 N O S2 -","- C11 H6 F3 N O S2 -","- C22 H12 F6 N2 O2 S4 -","2","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0482","0.0376","","","0.0968","0.1026","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015071","5.1314","0.0002","10.4543","0.0005","20.5324","0.0009","90","","91.702","0.002","90","","1100.98","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxybenzylidenene)-2-thioxothiazolidin-4-one","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","SK1860","Delgado, Paula; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Supramolecular structures of four (<i>Z</i>)-5-arylmethylene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers, chains of rings and sheets","Acta Crystallographica Section C","2005","61","8","o477","o482","10.1107/S0108270105021888","","","0.71073","MoKα","","0.0557","0.0379","","","0.0952","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015072","10.9576","0.0005","16.8316","0.001","30.2015","0.0017","90","","90","","90","","5570.2","0.5","294","1","294","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada- 1,2-dicarbadodecaborane","","- C22 H31 B9 I P Pd S -","- C22 H31 B9 I P Pd S -","- C176 H248 B72 I8 P8 Pd8 S8 -","8","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.1083","0.0367","","","0.1112","0.1621","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015073","12.8117","0.0008","9.267","0.0007","18.2948","0.001","90","","96.567","0.005","90","","2157.8","0.2","294","1","294","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","3-dimethylphenylphosphine- 3-chloro-4-dimethylsulfido-closo-3-pallada-1,2-dicarbadodecaborane","","- C12 H27 B9 Cl P Pd S -","- C12 H27 B9 Cl P Pd S -","- C48 H108 B36 Cl4 P4 Pd4 S4 -","4","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.0405","0.024","","","0.0589","0.0637","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015074","9.4395","0.0002","13.1565","0.0003","10.9581","0.0002","90","","90","","90","","1360.9","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine","","- C11 H17 N5 O4 -","- C11 H17 N5 O4 -","- C44 H68 N20 O16 -","4","1","SK1862","Arranz Mascarós, Paloma; Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2005","61","9","o548","o550","10.1107/S0108270105024406","","","0.71073","MoKα","","0.0453","0.0398","","","0.1026","0.1063","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015075","22.4197","0.0005","8.9687","0.0002","21.2076","0.0004","90","","117.718","0.0011","90","","3774.99","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2RS)-N,N'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C160 H160 N32 O32 -","8","2","SK1864","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(1<i>RS</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-Bis(4-nitrophenylmethylene)cyclohexane-1,2-diamine: complex sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2005","61","9","o551","o554","10.1107/S0108270105024443","","","0.71073","MoKα","","0.0748","0.0475","","","0.1159","0.1289","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015076","8.4969","0.0007","12.6309","0.0009","13.5716","0.0009","76.537","0.006","76.106","0.007","82.191","0.006","1370.14","0.18","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-butyl-N,N'-diisopropylamidinate)dichlorohafnium(IV)","","- C22 H46 Cl2 Hf N4 -","- C22 H46 Cl2 Hf N4 -","- C44 H92 Cl4 Hf2 N8 -","2","1","SQ1201","Andrian P. Milanov; Raghunandan Bhakta; Manuela Winter; Klaus Merz; Anjana Devi","Bis(2-butyl-<i>N</i>,<i>N</i>'-diisopropylamidinato)dichlorohafnium(IV)","Acta Crystallographica Section C","2005","61","7","m370","m372","10.1107/S0108270105016872","","","0.71073","MoKα","","0.042","0.0368","","","0.0869","0.0895","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015077","13.3146","0.0008","5.7488","0.0004","7.1774","0.0006","90","","90","","90","","549.38","0.07","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-aminoethene-1,1,2-tricarbonitrile","","- C5 H2 N4 -","- C5 H2 N4 -","- C20 H8 N16 -","4","1","SQ1210","Tafeenko, Viktor A.; Paseshnichenko, Ksenia A.; Ershov, Oleg V.; Eremkin, Andrey V.; Aslanov, Leonid A.","The twofold interpenetrated three-connected three-dimensional (10,3)-net in 2-aminoethene-1,1,2-tricarbonitrile","Acta Crystallographica Section C","2005","61","7","o434","o437","10.1107/S0108270105016070","","","0.71073","MoKα","","0.0329","0.0316","","","0.0844","0.0851","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015078","6.1028","0.0005","8.801","0.0004","10.1195","0.0006","97.7","0.004","93.71","0.006","101.073","0.006","526.31","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-Benzoylbenzofuran","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0532","0.0395","","","0.0933","0.098","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015079","29.644","0.002","6.2536","0.0005","7.8188","0.0008","90","","105.091","0.006","90","","1399.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(5-bromobenzofuran-2-yl) ketone","","- C17 H8 Br2 O3 -","- C17 H8 Br2 O3 -","- C68 H32 Br8 O12 -","4","0.5","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.0249","0.0187","","","0.0405","0.0426","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015080","7.3816","0.0003","8.2874","0.0006","34.591","0.002","90","","95.487","0.005","90","","2106.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-mesityl-3-methylcyclobutyl 3-methylnaphtho[1,2-b]furan-2-yl ketone","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","SQ1211","Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.","C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives","Acta Crystallographica Section C","2005","61","7","o438","o441","10.1107/S0108270105016185","","","0.71073","MoKα","","0.06","0.0441","","","0.0993","0.1057","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015081","8.794","0.0004","9.289","0.0004","12.767","0.0013","81.47","0.02","86.4","0.02","65.79","0.02","940.66","0.19","200","","200","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[cyclo-tetra-μ-chloro-tetracopper(I)]-bis{3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κN,1η^2^;1'η^2^,2'κN]","","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","- C34 H36 Cl4 Cu4 N4 O6 S2 -","1","0.5","SQ1213","Goreshnik, Evgeny; Karpyak, Volodymyr; Mys'kiv, Marian","<i>catena</i>-Poly[[<i>cyclo</i>-tetra-μ-chlorotetracopper(I)]-bis{μ-3-[(2-morpholino-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene)methylphenoxy]propene}-2κ<i>N</i>,1'η^2^;1η^2^,2'κ<i>N</i>]","Acta Crystallographica Section C","2005","61","8","m390","m392","10.1107/S0108270105020299","","","0.7107","MoKα","","0.0816","0.0548","","","0.1265","0.1614","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015082","5.7396","0.0004","6.0284","0.0004","23.8301","0.0017","83.457","0.001","89.241","0.001","63.154","0.001","730.2","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","R/S-ibuprofen sodium dihydrate","sodium (RS)-α-methyl [4-(isobutyl)phenyl]acetate dihydrate","","- C13 H21 Na O4 -","- C13.012 H20.978 Na O4 -","- C26.024 H41.956 Na2 O8 -","2","1","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0616","0.0475","","","0.1244","0.1351","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015083","5.7767","0.0005","6.0835","0.0005","23.88","0.002","83.151","0.001","86.482","0.001","61.612","0.001","733.01","0.11","173","2","173","2","","","","","","","","4","P 1","P 1","1","S-ibuprofen sodium dihydrate","sodium S-α-Methyl-4-(isobutyl)phenylacetate dihydrate","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","2","SQ1215","Zhang, Yue-Gang; Grant, David J. W.","Similarity in structures of racemic and enantiomeric ibuprofen sodium dihydrates","Acta Crystallographica Section C","2005","61","9","m435","m438","10.1107/S0108270105024807","","","0.71073","MoKα","","0.0454","0.0402","","","0.1084","0.1131","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015084","4.714","0.001","14.674","0.003","15.162","0.003","90","","93.31","0.03","90","","1047.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium gallium hydrogen arsenate","caesium gallium(III) hydrogen arsenate(V)","","- As3 Cs Ga H5 O12 -","- As3 Cs Ga H5 O12 -","- As12 Cs4 Ga4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0277","0.0238","","","0.0643","0.0663","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015085","4.744","0.001","14.625","0.003","15.127","0.003","90","","93.48","0.03","90","","1047.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","caesium chromium hydrogen arsenate","caesium chromium(III) hydrogen arsenate(V)","","- As3 Cr Cs H5 O12 -","- As3 Cr Cs H5 O12 -","- As12 Cr4 Cs4 H20 O48 -","4","0.5","SQ1217","Schwendtner, Karolina; Kolitsch, Uwe","CsGa(H~1.5~AsO~4~)~2~(H~2~AsO~4~) and isotypic CsCr(H~1.5~AsO~4~)~2~(H~2~AsO~4~): decorated kröhnkite-like chains in two unusual hydrogen arsenates","Acta Crystallographica Section C","2005","61","9","i90","i93","10.1107/S0108270105023243","","","0.71073","MoKα","","0.0354","0.0242","","","0.0497","0.0527","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015086","9.0502","0.0012","4.526","0.0003","9.9697","0.0011","90","","98.576","0.004","90","","403.8","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","β-2-aminopyridinium dihydrogenphosphate","","- C5 H9 N2 O4 P -","- C5 H9 N2 O4 P -","- C10 H18 N4 O8 P2 -","2","1","SQ1219","Demir, Selcuk; Yilmaz, Veysel T.; Harrison, William T. A.","A second polymorph of 2-aminopyridinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","9","o565","o567","10.1107/S0108270105024923","","","0.71073","MoKα","","0.1019","0.0602","","","0.1202","0.1374","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015087","17.2616","0.0017","7.3476","0.0005","15.536","0.0015","90","","101.815","0.008","90","","1928.7","0.3","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-poly[[diaquamanganese(II)]bis(μ-3-hydroxy-2-naphthoato-κ^2^O:O')]","","- C22 H18 Mn O8 -","- C22 H18 Mn O8 -","- C88 H72 Mn4 O32 -","4","1","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0946","0.0872","","","0.3118","0.3159","","","","","","1.214","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015088","6.8188","0.0005","5.2121","0.0003","29.639","0.003","90","","94.917","0.007","90","","1049.5","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetraaquabis(1-hydroxy-2-naphthoato)manganese(II)","","- C22 H22 Mn O10 -","- C22 H22 Mn O10 -","- C44 H44 Mn2 O20 -","2","0.5","TA1467","Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael","Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese","Acta Crystallographica Section C","2005","61","7","m361","m364","10.1107/S0108270105015659","","","0.71073","MoKα","","0.0489","0.0432","","","0.1114","0.1131","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015089","11.4724","0.0014","29.713","0.004","19.495","0.002","90","","92.09","0.002","90","","6641","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti","dichlorodeca-μ~2~oxo-hexakis(pentamethylcyclopentadienyl)hexatitanium(IV)","","- C60 H90 Cl2 O10 Ti7 -","- C60 H90 Cl2 O10 Ti7 -","- C240 H360 Cl8 O40 Ti28 -","4","1","TA1483","Jie Chen; Ning-Hai Hu; Jie Zhan; Yue-Sheng Li","The new polynuclear titanium(IV) complex [(Cp*TiCl)(μ-O)~2~(Cp*Ti)~2~(μ-O)(μ-O)~2~]~2~Ti (Cp* is η^5^-C~5~Me~5~)","Acta Crystallographica Section C","2005","61","7","m337","m338","10.1107/S0108270105016021","","","0.71073","MoKα","","0.0568","0.043","","","0.1125","0.1214","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015090","8.5841","0.0012","9.0352","0.0012","18.738","0.002","90","","90","","90","","1453.3","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1H-imidazole","","- C15 H17 Cl N4 O2 -","- C15 H17 Cl N4 O2 -","- C60 H68 Cl4 N16 O8 -","4","1","TA1498","Kubicki, Maciej; Wagner, Paweł","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2005","61","8","o509","o511","10.1107/S0108270105021608","","","0.71073","MoKα","","0.042","0.0308","","","0.0518","0.0541","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015091","7.5036","0.0015","17.219","0.003","9.4799","0.0019","90","","96.905","0.003","90","","1216","0.4","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 3,5-dinitrosalicylate","strychninium 3,5-dinitrosalicylate","","- C28 H26 N4 O9 -","- C28 H26 N4 O9 -","- C56 H52 N8 O18 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","0.71073","MoKα","","0.0664","0.0577","","","0.1375","0.1424","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015092","7.5762","0.0009","12.3729","0.0009","20.891","0.004","90","","97.96","0.01","90","","1939.4","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid)","strychninium‒5-nitrosalicylate‒5-nitrosalicylic acid (1/1/2)","","- C42 H37 N5 O17 -","- C42 H37 N5 O17 -","- C84 H74 N10 O34 -","2","1","TA1499","Graham Smith; Urs D. Wermuth; Jonathan M. White","The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct","Acta Crystallographica Section C","2005","61","7","o464","o468","10.1107/S0108270105018226","","","1.5418","CuKα","","0.0635","0.056","","","0.1578","0.1675","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015093","8.4778","0.0015","13.085","0.002","6.7562","0.0011","90","","105.001","0.014","90","","723.9","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,6-diaminopyridinium 5-sulfosalicylate monohydrate","2,6-diaminopyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate'","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C24 H30 N6 O14 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.053","0.0335","","","0.096","0.112","","","","","","0.886","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015094","6.98","0.0014","9.1573","0.0015","10.849","0.002","84.618","0.014","97.698","0.016","102.879","0.014","668.4","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","1,4-phenylenediaminium 5-sulfosalicylate","1,4-phenylenediaminium 3-carboxylato-4-hydroxybenzenesolfonate","","- C13 H14 N2 O6 S -","- C13 H14 N2 O6 S -","- C26 H28 N4 O12 S2 -","2","1","TA1503","Graham Smith; Urs D. Wermuth; Peter C. Healy","Layered structures in proton-transfer compounds of 5-sulfosalicylic acid with the aromatic polyamines 2,6-diaminopyridine and 1,4-phenylenediamine","Acta Crystallographica Section C","2005","61","9","o555","o558","10.1107/S010827010502439X","","","0.71069","MoKα","","0.0459","0.0395","","","0.1014","0.1113","","","","","","0.826","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015095","19.751","0.0006","17.645","0.0006","17.1978","0.0007","90","","114.982","0.003","90","","5432.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(1,5- cyclooctadiene)rhodium(I)","","- C27 H34 Br N2 O2 Rh -","- C27 H34 Br N2 O2 Rh -","- C216 H272 Br8 N16 O16 Rh8 -","8","2","TR1125","Dinçer, Muharrem; Özdemir, Namık; Günay, M. Emin; Çetinkaya, Bekir; Büyükgüngör, Orhan","[1,3-Bis(2-ethoxyphenyl)imidazolidin-2-ylidene]bromo(cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section C","2005","61","8","m373","m375","10.1107/S0108270105013284","","","0.71073","MoKα","","0.0367","0.0262","","","0.0593","0.0617","","","","","","1.019","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015096","8.01","0.002","10.526","0.002","28.685","0.006","90","","90","","90","","2418.5","0.9","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-Glucopyranoside","","- C22 H24 N2 O9 S2 -","- C22 H24 N2 O9 S2 -","- C88 H96 N8 O36 S8 -","4","1","TY1004","Zao-Zao Qiu; Xin-Ping Hui; Peng-Fei Xu","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2005","61","8","o475","o476","10.1107/S0108270105003951","","","0.7107","MoKα","","","0.0334","","","","0.0463","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015097","9.185","0.0004","5.8294","0.0002","7.9552","0.0003","90","","100.79","0.02","90","","418.41","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dilanthanum ruthenium pentoxide","","- La2 O5 Ru -","- La2 O5 Ru -","- La8 O20 Ru4 -","4","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0258","","","","","","","","1.61","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015098","9.1614","0.0008","5.8075","0.0005","7.9584","0.0008","89.78","0.08","101","0.08","91.76","0.08","415.45","0.13","1.49","0.02","1.49","0.02","","","","","","","","3","P -1","-P 1","2","","dilanthanum ruthenium pentoxide","","- La4 O10 Ru2 -","- La4 O10 Ru2 -","- La8 O20 Ru4 -","2","1","TY1006","Stefan G. Ebbinghaus","High- and low-temperature La~2~RuO~5~ by powder neutron diffraction","Acta Crystallographica Section C","2005","61","9","i96","i98","10.1107/S010827010501509X","","neutron","1.4935","neutron","","0.0179","","","","","","","","1.62","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015099","11.569","0.003","15.152","0.007","17.66","0.008","90","","103.9","0.03","90","","3005","2","296.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Dichlorooxo(quinoline-8-thiolato-κ^2^N,S)(triphenylphosphine oxide-κO)rhenium(V) acetone solvate","","- C30 H27 Cl2 N O3 P Re S -","- C30 H27 Cl2 N O3 P Re S -","- C120 H108 Cl8 N4 O12 P4 Re4 S4 -","4","1","AV1252","Yoshitaro Miyashita; Tetuya Ohashi; Akiomi Imai; Nagina Amir; Kiyoshi Fujisawa; Ken-ichi Okamoto","Dichlorooxo(quinoline-8-thiolato-κ^2^<i>N</i>,<i>S</i>)(triphenylphosphine oxide-κ<i>O</i>)rhenium(V) acetone solvate","Acta Crystallographica Section C","2005","61","11","m476","m478","10.1107/S0108270105027770","","","0.7107","MoKα","","","0.0451","","","","0.1494","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015100","9.0511","0.0011","10.0953","0.0012","10.6586","0.0013","68.849","0.002","81.453","0.002","87.433","0.002","898.18","0.19","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate","","- C21 H22 O6 -","- C21 H22 O6 -","- C42 H44 O12 -","2","1","AV1256","K. Manoj; S. Devaraj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","O—H···O-bridged dimers linked <i>via</i> C—H···O and C—H···π interactions in 4,6-di-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-orthoformate","Acta Crystallographica Section C","2005","61","11","o628","o630","10.1107/S0108270105029422","","","0.71073","MoKα","","0.0518","0.0448","","","0.1081","0.1126","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015101","18.202","0.008","5.7","0.002","18.703","0.009","90","","112.091","0.003","90","","1798","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^2^O^1^,N:κO^2^;κO^2^:κ^2^O^1^] chloride]","","- C18 H20 Cl Mn N2 O4 -","- C18 H20 Cl Mn N2 O4 -","- C72 H80 Cl4 Mn4 N8 O16 -","4","0.5","AV1257","Zhang, Li-Fang; Ni, Zhong-Hai; Zong, Zhi-Min; Wei, Xian-Yong; Ge, Chun-Hua; Kou, Hui-Zhong","A novel one-dimensional complex: <i>catena</i>-poly[[manganese(III)-di-μ-2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^2^<i>O</i>^1^,<i>N</i>:κ<i>O</i>^2^;κ<i>O</i>^2^:κ^2^<i>O</i>^1^] chloride]","Acta Crystallographica Section C","2005","61","12","m542","m544","10.1107/S0108270105034219","","","0.7107","MoKα","","0.0524","0.0449","","","0.1002","0.1027","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015102","8.3589","0.0005","11.9903","0.0007","24.1438","0.0014","75.507","0.005","86.063","0.005","77.418","0.005","2286.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2- yl]hydrazonomethyl}phenol","","- C24 H26 Br N3 O S -","- C24 H26 Br N3 O S -","- C96 H104 Br4 N12 O4 S4 -","4","2","AV1259","Mustafa Serkan Soylu; Nezihe Çalışkan; Alaaddin Çukurovali; Ibrahim Yılmaz; Orhan Büyükgüngör","4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazonomethyl}phenol, with N—H···N, C—H···π and π‒π interactions","Acta Crystallographica Section C","2005","61","12","o725","o727","10.1107/S0108270105034724","","","0.71073","MoKα","","0.0716","0.0408","","","0.0883","0.0987","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015103","20.8934","0.0004","14.24","0.0003","22.8886","0.0004","90","","110.014","0.001","90","","6398.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-b]isoquinoline-5,11-dione","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C304 H240 N16 O80 -","16","4","AV1262","M. Yogavel; D. Velmurugan; W. G. Rajeswaran; P. C. Srinivasan; H.-K. Fun","1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-<i>b</i>]isoquinoline-5,11-dione","Acta Crystallographica Section C","2005","61","12","o715","o717","10.1107/S0108270105035158","","","0.71073","MoKα","","0.1423","0.0677","","","0.1674","0.2099","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015104","11.191","0.003","12.1156","0.0011","12.6742","0.001","90","","90","","90","","1718.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mercury(II) (-)-sparteine dichloride","Dichloro[(6R,7S,8S,14S)-(-)-sparteine-κ^2^N,N']mercury(II)","","- C15 H26 Cl2 Hg N2 -","- C15 H26 Cl2 Hg N2 -","- C60 H104 Cl8 Hg4 N8 -","4","1","AV1265","Choi, Sung-Nak; Kim, Sang-Yub; Ryu, Hae-Wook; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","Acta Crystallographica Section C","2005","61","12","m504","m506","10.1107/S0108270105033858","","","0.71073","MoKα","","0.0768","0.0454","","","0.0739","0.0821","","","","","","1.008","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015105","26.1571","0.0008","15.3971","0.0005","7.1673","0.0002","90","","101.078","0.002","90","","2832.8","0.15","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-formato-1κ^2^O:2κ^2^O'-di-μ-pyridin-2-olato-1κO:2κN;1κN:2κO- bis[(2-pyridone-κO)copper(II)] acetonitrile 1.02-solvate","","- C24.04 H23.06 Cu2 N5.02 O8 -","- C24.04 H23.06 Cu2 N5.02 O8 -","- C96.16 H92.24 Cu8 N20.08 O32 -","4","0.5","AV1269","Lea Glažar; Marjeta Radišek; Primož Šegedin; Amalija Golobič","Di-μ-formato-1κ^2^<i>O</i>:2κ^2^<i>O</i>'-di-μ-pyridin-2-olato-1κ<i>O</i>:2κ<i>N</i>;1κ<i>N</i>:2κ<i>O</i>-bis[(2-pyridone-κ<i>O</i>)copper(II)] acetonitrile 1.02-solvate","Acta Crystallographica Section C","2005","61","12","m526","m528","10.1107/S0108270105033871","","","0.71073","MoKα","","0.066","0.05","","0.048","","0.044","","","1.093","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015106","12.816","0.003","6.4045","0.0005","10.5889","0.0008","90","","90","","90","","869.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","potassium titanyl phosphate","","- K2 O10 P2 Ti2 -","- K2 O10 P2 Ti2 -","- K8 O40 P8 Ti8 -","4","1","BC1075","Stefan T. Norberg; Nobuo Ishizawa","K-site splitting in KTiOPO~4~ at room temperature","Acta Crystallographica Section C","2005","61","10","i99","i102","10.1107/S0108270105027010","","","0.75052","synchrotron","","0.02","0.019","","0.026","0.025","0.025","","","1.016","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015107","9.9128","0.0004","10.783","0.0003","13.4209","0.0005","90","","90","","90","","1434.56","0.09","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium copper(II) bis(dihydrogendiphosphate) dihydrate","","- Cu H8 K2 O16 P4 -","- Cu H8 K2 O16 P4 -","- Cu4 H32 K8 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0437","0.0243","","","0.062","0.0713","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015108","9.9117","0.0003","10.7736","0.0003","13.4219","0.0005","90","","90","","90","","1433.25","0.08","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium nickel(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 Ni O16 P4 -","- H8 K2 Ni O16 P4 -","- H32 K8 Ni4 O64 P16 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0276","0.0252","","","0.0866","0.0894","","","","","","1.31","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015109","9.7699","0.0002","10.9749","0.0003","13.4201","0.0003","90","","90","","90","","1438.95","0.06","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium zinc(II) bis(dihydrogendiphosphate) dihydrate","","- H8 K2 O16 P4 Zn -","- H8 K2 O16 P4 Zn -","- H32 K8 O64 P16 Zn4 -","4","0.5","BC1079","Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla","K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra","Acta Crystallographica Section C","2005","61","12","i120","i124","10.1107/S0108270105036656","","","0.71069","MoKα","","0.0347","0.0301","","","0.0877","0.0904","","","","","","1.74","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015110","8.6165","0.0002","7.4725","0.0001","9.2811","0.0003","90","","92.746","0.002","90","","596.89","0.03","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","dipotassium tetrachromate(VI)","dipotassium tetrachromium(VI) tridecaoxide","","- Cr4 K2 O13 -","- Cr4 K2 O13 -","- Cr8 K4 O26 -","2","1","BC1081","Barbara M. Casari; Vratislav Langer","Dipotassium tetrachromate(VI), K~2~Cr~4~O~13~","Acta Crystallographica Section C","2005","61","12","i117","i119","10.1107/S0108270105035833","","","0.71073","MoKα","","0.0707","0.0478","","","0.0929","0.1052","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015111","9.5257","0.0006","5.6597","0.0003","12.4288","0.0007","90","","96.779","0.003","90","","665.38","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N-(2-hydroxyethyl)-β-alaninato]copper(II)","","- C10 H20 Cu N2 O6 -","- C10 H20 Cu N2 O6 -","- C20 H40 Cu2 N4 O12 -","2","0.5","BG1015","Pestov, Alexander V.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Podberezskaya, Nina V.; Yatluk, Yury G.; Skorik, Yury A.","Bis[<i>N</i>-(2-hydroxyethyl)-β-alaninato]copper(II)","Acta Crystallographica Section C","2005","61","12","m510","m512","10.1107/S0108270105033780","","","0.71073","MoKα","","0.043","0.027","","","0.0624","0.0694","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015112","7.0984","0.0009","25.139","0.003","7.937","0.001","90","","97.034","0.006","90","","1405.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methylammonium) octaantimony(III) dodecasulfide persulfide","","- C H6 N S7 Sb4 -","- C H6 N S7 Sb4 -","- C4 H24 N4 S28 Sb16 -","4","1","BG1018","Lees, Rachel J. E.; Powell, Anthony V.; Chippindale, Ann M.","Methylammonium antimony sulfide","Acta Crystallographica Section C","2005","61","12","m516","m518","10.1107/S0108270105032361","","","0.71073","MoKα","","0.0308","0.0241","","0.03","0.0272","0.0272","","","","","","1.0779","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015113","12.028","0.002","7.428","0.0015","22.062","0.004","90","","90","","90","","1971.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","","- C9 H8 O6 Sr -","- C9 H8 O6 Sr -","- C72 H64 O48 Sr8 -","8","1","BG1021","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","Acta Crystallographica Section C","2005","61","12","m523","m525","10.1107/S0108270105034554","","","0.71073","MoKα","","0.0409","0.0285","","","0.0585","0.0625","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015114","7.2228","0.0011","24.518","0.003","5.033","0.0007","90","","120.521","0.01","90","","767.8","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","4,5-Bis(furoylsulfanyl)-1,3-dithiolane-2-thione","","- C13 H6 O4 S5 -","- C13 H6 O4 S5 -","- C26 H12 O8 S10 -","2","0.5","BM1613","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng","4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","2005","61","10","o583","o585","10.1107/S0108270105026053","","","0.71069","MoKα","","0.0495","0.0349","","","0.0814","0.0907","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015115","7.9415","0.0009","22.123","0.003","8.9747","0.001","90","","103.606","0.002","90","","1532.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","β-dpknph","β-di-2-pyridyl ketone 4-nitrophenylhydrazone","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","BM1616","Bakir, Mohammed; Conry, Rebecca R.; Green, Orville","Polymorphic di-2-pyridyl ketone 4-nitrophenylhydrazone (dpknph): the structure of β-dpknph","Acta Crystallographica Section C","2005","61","10","o607","o609","10.1107/S0108270105027320","","","0.71073","MoKα","","0.0898","0.0409","","","0.083","0.095","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015116","5.7562","0.0001","11.2464","0.0001","12.1365","0.0001","90","","98.162","0.001","90","","777.716","0.017","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-hydroxyphenyl)-2-oxazoline","2-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0451","0.0395","","","0.1129","0.119","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015117","11.365","0.0002","12.5867","0.0001","11.2966","0.0002","90","","99.534","0.001","90","","1593.63","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-hydroxyphenyl)-2-oxazoline","3-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","2","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.083","0.0681","","","0.1646","0.1746","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015118","4.7778","0.0001","14.9883","0.0002","10.9194","0.0001","90","","95.945","0.001","90","","777.74","0.02","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-hydroxyphenyl)-2-oxazoline","4-(4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","DN1097","Vratislav Langer; Miroslav Koóš; Dalma Gyepesová; Mariana Sládkovičová; Jozef Lustoň; Juraj Kronek","Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxyphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline","Acta Crystallographica Section C","2005","61","10","o602","o606","10.1107/S0108270105027812","","","0.71073","MoKα","","0.0707","0.0467","","","0.1183","0.1327","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015119","14.8955","0.0005","20.3681","0.001","24.9276","0.0011","90","","106.169","0.003","90","","7263.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane [7,13,21,27-tetraphenyl-3,17- dioxapentacyclo[23.3.1.1^5,9^.1^11,15^.1^9,23^]ditriaconta- 1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32- tetraolato]dioxouranium dimethylsulfoxide trisolvate","","- C78 H96 N2 O17 S3 U -","- C78 H96 N2 O17 S3 U -","- C312 H384 N8 O68 S12 U4 -","4","1","DN1098","Masci, Bernardo; Levi Mortera, Stefano; Thuéry, Pierre","Inclusion of diprotonated [2.2.2]cryptand in the cavity of uranyl-complexed <i>p</i>-phenyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2005","61","11","m482","m484","10.1107/S0108270105030581","","","0.71073","MoKα","","0.0745","0.0524","","","0.1348","0.1458","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015120","9.0924","0.0005","9.0924","0.0005","5.2862","0.0008","90","","90","","120","","378.47","0.06","290","","290","","","","","","","","","3","P 63","P 6c","173","","Gallium tris(iodate)","","- Ga I3 O9 -","- Ga I3 O9 -","- Ga2 I6 O18 -","2","0.333333","EM1002","Chen, Xuean; Xue, Hai-Ping; Chang, Xi-Nan; Zang, He-Gui; Xiao, Wei-Qiang","Gallium tris(iodate), Ga(IO~3~)~3~","Acta Crystallographica Section C","2005","61","11","i109","i110","10.1107/S0108270105029835","","","0.71073","MoKα","","0.0166","0.0158","","","0.0365","0.0367","","","","","","1.271","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015121","7.3004","0.001","32.252","0.004","6.5364","0.0007","90","","91.145","0.015","90","","1538.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium Benzoate","catena-poly[[[diaquacalcium(I)]-μ-aqua-μ-benzoato-κ^4^O:O,O':O'] benzoate]","","- C14 H16 Ca O7 -","- C14 H16 Ca O7 -","- C56 H64 Ca4 O28 -","4","1","FA1149","Senkovska, Irena; Thewalt, Ulf","Triaquabenzoatocalcium(II) monobenzoate: coordination polymer chains linked into a two-dimensional framework by hydrogen bonds","Acta Crystallographica Section C","2005","61","10","m448","m449","10.1107/S0108270105027484","","","0.71073","MoKα","","0.0378","0.0268","","","0.0601","0.0625","","","","","","0.971","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015122","7.7238","0.0002","5.90226","0.00017","10.4499","0.0003","90","","90","","90","","476.39","0.02","300","","300","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0552","","","","","","","","0.6283","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015123","7.69999","0.00015","5.86734","0.00011","10.4039","0.0002","90","","90","","90","","470.032","0.016","200","","200","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0473","","","","","","","","0.7255","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015124","7.6902","0.00013","5.84889","0.00009","10.37848","0.00017","90","","90","","90","","466.815","0.013","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0474","","","","","","","","0.8259","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015125","7.68265","0.00011","5.83059","0.00008","10.35278","0.00015","90","","90","","90","","463.746","0.011","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.037","","","","","","","","0.8161","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015126","7.67874","0.00009","5.81248","0.00007","10.32788","0.00012","90","","90","","90","","460.959","0.009","50","","50","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.033","","","","","","","","0.8982","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015127","7.67735","0.0001","5.80377","0.00008","10.31316","0.00013","90","","90","","90","","459.529","0.01","1.5","","1.5","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Thallium Fluoroberyllate","","- Be F4 Tl2 -","- Be F4 Tl2 -","- Be4 F16 Tl8 -","4","0.5","FA1150","da Silva, Iván; González-Silgo, Cristina; González-Platas, Javier; Rodríguez-Carvajal, Juan; Martínez-Sarrión, María Luisa; Mestres, Lourdes","Powder neutron diffraction of Tl~2~BeF~4~ at six temperatures from room temperature to 1.5K","Acta Crystallographica Section C","2005","61","12","i113","i116","10.1107/S010827010503249X","","neutron","1.2251","neutron","","0.0357","","","","","","","","0.9134","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015128","4.1002","0.0004","36.118","0.004","8.3164","0.0008","90","","103.157","0.002","90","","1199.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(RS)-1,2,3,4-tetrahydroazulene-2,6-dicarboxylic acid 6-ethyl ester","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","FA1151","Hussain, Zakir; Oeser, Thomas; Hopf, Henning","(<i>RS</i>)-6-Ethyl 2-carboxy-1,2,3,4-tetrahydroazulene-6-carboxylate","Acta Crystallographica Section C","2005","61","11","o652","o653","10.1107/S0108270105029744","","","0.71073","MoKα","","0.0674","0.0612","","","0.1326","0.1359","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015129","5.886","0.0002","10.4741","0.0004","20.2724","0.0008","81.09","0.002","89.223","0.002","80.845","0.002","1218.92","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","FA1156","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2005","61","11","o660","o661","10.1107/S0108270105030593","","","1.54178","CuKα","","0.05","0.0416","","","0.111","0.1141","","","","","","0.972","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015130","10.3202","0.001","7.4068","0.0008","11.2845","0.0011","90","","105.505","0.005","90","","831.19","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.0775","0.0468","","","0.118","0.1322","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015131","9.6507","0.0011","9.8918","0.0011","10.0082","0.001","76.118","0.006","67.655","0.007","69.334","0.009","820.61","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-(dimethylamino)benzoic acid","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","FA1157","Aakeröy, Christer B; Desper, John; Levin, Brock","Two new polymorphs of 4-(<i>N</i>,<i>N</i>-dimethylamino)benzoic acid","Acta Crystallographica Section C","2005","61","12","o702","o704","10.1107/S0108270105035122","","","0.71073","MoKα","","0.1056","0.0521","","","0.1235","0.1419","","","","","","0.851","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015132","14.6634","0.0012","10.896","0.0006","13.6985","0.0011","90","","110.866","0.006","90","","2045.1","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^,N.N')(dipicolinato- κ^3^O^2^,N,O^6^)copper(II) trihydrate","","- C21 H21 Cu N3 O7 -","- C21 H21 Cu N3 O7 -","- C84 H84 Cu4 N12 O28 -","4","1","FA1158","Ibrahim Uçar; Ahmet Bulut; Orhan Büyükgüngör","(2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II) trihydrate","Acta Crystallographica Section C","2005","61","11","m479","m481","10.1107/S010827010503146X","","","0.71073","MoKα","","0.0641","0.0421","","","0.098","0.1066","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015133","14.802","0.003","8.6144","0.0018","17.832","0.004","90","","90","","90","","2273.8","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate","","- C22 H20 Cl Co N6 O6 -","- C22 H20 Cl Co N6 O6 -","- C88 H80 Cl4 Co4 N24 O24 -","4","1","FA1161","Adams, Harry; Shongwe, Musa S.; Al-Bahri, Ibtisam; Al-Busaidi, Eiman; Morris, Michael J.","Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate: a consequence of cobalt ion-assisted oxidative deamination of a tris(pyridyl)aminal ligand","Acta Crystallographica Section C","2005","61","12","m497","m500","10.1107/S0108270105033913","","","0.71073","MoKα","","0.0668","0.0599","","","0.1543","0.1593","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015134","6.863","0.006","39.81","0.03","13.527","0.011","90","","93.276","0.015","90","","3690","5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","2","FG1861","Zhi-Min Jin; Hai Feng; Li Li; Mao-Lin Hu","Hydrogen bonding and π‒π interactions in a laminar structure: benzene-1,3-dicarboxylic acid‒4-methylpyridine (1/2)","Acta Crystallographica Section C","2005","61","10","o593","o595","10.1107/S0108270105026181","","","0.71073","MoKα","","0.0787","0.0652","","","0.1617","0.1733","","","","","","1.068","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015135","14.6984","0.0003","5.0061","0.0001","21.1204","0.0005","90","","96.5502","0.0012","90","","1543.93","0.06","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","methyl α-lactoside","methyl 4-O-β-D-galactopyranosyl-α-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","FG1865","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-glucopyranoside (methyl α-lactoside)","Acta Crystallographica Section C","2005","61","12","o674","o677","10.1107/S0108270105033706","","","0.71073","MoKα","","0.0336","0.0321","","","0.0867","0.0947","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015136","10.2345","0.0002","10.2345","0.0002","7.0799","0.0003","90","","90","","120","","642.23","0.03","180","2","180","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","catena-Poly[sodium [[tricyanatozinc(II)]-μ-1,4-diazobicyclo[2.2.2]octane-κ^2^N:N']]","","- C9 H12 N5 Na O3 Zn -","- C9 H12 N5 Na O3 Zn -","- C18 H24 N10 Na2 O6 Zn2 -","2","0.0833333","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.0322","0.0306","","","0.0756","0.0762","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015137","14.388","0.001","16.483","0.002","26.438","0.003","90","","90.024","0.006","90","","6270","1.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dicyanatozinc(II)]-μ-4,4'-bipyridine-κ^2^N:N']","","- C12 H8 N4 O2 Zn -","- C12 H8 N4 O2 Zn -","- C240 H160 N80 O40 Zn20 -","20","5","FG1873","Bond, Andrew D.; McKenzie, Christine J.","One-dimensional zinc-based coordination polymers incorporating cyanate anions","Acta Crystallographica Section C","2005","61","12","m519","m522","10.1107/S0108270105033962","","","0.71073","MoKα","","0.2055","0.0707","","","0.1601","0.2209","","","","","","0.894","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015138","8.7941","0.0018","17.45","0.004","11.007","0.002","90","","98.174","0.016","90","","1671.9","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.0441","0.0359","","","0.0893","0.0937","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015139","28.461","0.005","9.456","0.002","15.86","0.003","90","","122.819","0.011","90","","3587.1","1.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4-(2-methoxyphenyl)-7,7- dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one hemihydrate","","- C18 H21 N2 O5.5 -","- C18 H21 N2 O5.5 -","- C144 H168 N16 O44 -","8","1","FG1879","Vladimir N. Nesterov; Victor P. Kislyi; Joseph L. Sabutis; Volodymyr V. Nesterov; David J. Wiedenfeld; Victor V. Semenov","2-Amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5<i>H</i>-chromen-5-one hemihydrate","Acta Crystallographica Section C","2005","61","12","o741","o744","10.1107/S0108270105037078","","","0.71073","MoKα","","0.1453","0.0547","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015140","20.6762","0.0007","7.2443","0.0002","10.3501","0.0003","90","","116.575","0.002","90","","1386.5","0.08","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,3-dibromo-1,3-diphenylpropan-1-one","","- C15 H12 Br2 O -","- C15 H12 Br2 O -","- C60 H48 Br8 O4 -","4","1","FG1880","Harrison, William T. A.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Anilkumar, H. G.","Do C—H···O and C—H···π interactions help to stabilize a non-centrosymmetric structure for racemic 2,3-dibromo-1,3-diphenylpropan-1-one?","Acta Crystallographica Section C","2005","61","12","o728","o730","10.1107/S0108270105036942","","","0.71073","MoKα","","0.0291","0.0264","","","0.057","0.0582","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015141","7.7492","0.0004","18.3881","0.001","18.6756","0.0011","90","","96.187","0.001","90","","2645.6","0.3","187","1","187","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","poly[3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium octa-μ-bromochloro(4.4/3.6)-tricadmate(II)","","- C12 H18 Br4.41 Cd3 Cl3.59 N4 O S -","- C12 H18 Br4.409 Cd3 Cl3.591 N4 O S -","- C48 H72 Br17.636 Cd12 Cl14.364 N16 O4 S4 -","4","1","FG1881","Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki","Interactions of thiamine with polymeric halogenocadmate anions in the organic‒inorganic hybrid compound (thiaminium)[Cd~3~Br~4.4~Cl~3.6~]","Acta Crystallographica Section C","2005","61","12","m538","m541","10.1107/S0108270105037145","","","0.71073","MoKα","","0.0369","0.0271","","","0.0569","0.06","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015142","4.9794","0.0007","6.147","0.0009","6.8905","0.001","106.85","0.002","90.177","0.002","94.213","0.002","201.24","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","dimethyl selenoxide","","- C2 H6 O Se -","- C2 H6 O Se -","- C4 H12 O2 Se2 -","2","1","FR1528","Filatov, Alexander S.; Block, Eric; Petrukhina, Marina A.","Dimethyl selenoxide","Acta Crystallographica Section C","2005","61","10","o596","o598","10.1107/S0108270105027587","","","0.71073","MoKα","","0.0183","0.0171","","","0.0444","0.0449","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015143","32.7","0.007","12.926","0.003","16.065","0.003","90","","104.73","0.03","90","","6567","3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrimethaminium(2+) nitrate","2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidine-1,3-diium dinitrate","","- C12 H15 Cl N6 O6 -","- C12 H15 Cl N6 O6 -","- C192 H240 Cl16 N96 O96 -","16","2","GA1099","Kasthuri Balasubramani; Packianathan Thomas Muthiah; Urszula Rychlewska; Agnieszka Plutecka","Hydrogen-bonding patterns in pyrimethaminium dinitrate","Acta Crystallographica Section C","2005","61","10","o586","o588","10.1107/S0108270105016513","","","0.71073","MoKα","","0.1408","0.0594","","","0.1544","0.231","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015144","11.718","0.005","10.794","0.005","13.868","0.006","90","","99.727","0.008","90","","1728.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Di-2-pyridyl ketone N^4^,N^4^-(butane-1,4-diyl)thiosemicarbazonato- κ^3^N,N',S]dioxovanadium(V)","","- C16 H16 N5 O2 S V -","- C16 H16 N5 O2 S V -","- C64 H64 N20 O8 S4 V4 -","4","1","GA1108","Varughese Philip; E. Manoj; M. R. Prathapachandra Kurup; Munirathinam Nethaji","[Di-2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-(butane-1,4-diyl)thiosemicarbazonato-κ^3^<i>N</i>,<i>N</i>',<i>S</i>]dioxovanadium(V)","Acta Crystallographica Section C","2005","61","11","m488","m490","10.1107/S0108270105030337","","","0.71073","MoKα","","0.0539","0.0391","","","0.1033","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015145","7.924","0.001","13.578","0.002","25.003","0.003","90","","90","","90","","2690.1","0.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]- μ-chloro]","","- C13 H10 Br Cl N2 O Zn -","- C13 H10 Br Cl N2 O Zn -","- C104 H80 Br8 Cl8 N16 O8 Zn8 -","8","1","GA1109","You, Zhong-Lu","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","10","m456","m458","10.1107/S010827010502932X","","","0.71073","MoKα","","0.1133","0.0561","","","0.1091","0.128","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015146","18.892","0.007","7.336","0.003","18.357","0.007","90","","116.552","0.005","90","","2275.8","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","","- C34 H54 Fe O28 S2 -","- C34 H54 Fe O28 S2 -","- C68 H108 Fe2 O56 S4 -","2","0.5","GA1112","Zun-Ting Zhang; Xin-Li Cheng","Hydrogen bonding and π‒π stacking in hexaaquairon(II) bis(4',7-dimethoxyisoflavone-3'-sulfonate) octahydrate","Acta Crystallographica Section C","2005","61","12","m529","m531","10.1107/S0108270105036218","","","0.71073","MoKα","","0.0757","0.0418","","","0.0934","0.1125","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015147","13.131","0.001","7.829","0.001","16.911","0.002","90","","111.903","0.001","90","","1613","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]-di-μ- thiocyanato-dicadmium(II)]","","- C14 H9 Cd Cl2 N3 O S -","- C14 H9 Cd Cl2 N3 O S -","- C56 H36 Cd4 Cl8 N12 O4 S4 -","4","1","GA1113","You, Zhong-Lu","<i>catena</i>-Poly[[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]dicadmium(II)]-di-μ-thiocyanato]","Acta Crystallographica Section C","2005","61","12","m532","m534","10.1107/S0108270105036127","","","0.71073","MoKα","","0.035","0.0281","","","0.0678","0.0709","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015148","8.0145","0.0014","6.66","0.001","16.489","0.004","90","","90.2","0.018","90","","880.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[di-μ~2~-aqua-di-μ~5~-croconato(2-)-nickel(II)dipotassium(I)] tetrahydrate]","","- C10 H12 K2 Ni O16 -","- C10 H12 K2 Ni O16 -","- C20 H24 K4 Ni2 O32 -","2","0.5","GD1416","Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao","Poly[[di-μ~2~-aqua-di-μ~5~-croconato(2‒)-nickel(II)dipotassium(I)] tetrahydrate]","Acta Crystallographica Section C","2005","61","12","m535","m537","10.1107/S0108270105036322","","","0.71073","MoKα","","0.0514","0.0362","","","0.0779","0.083","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015149","6.1449","0.0011","7.8343","0.001","13.08","0.003","90","","100.25","0.015","90","","619.6","0.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","endo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0468","0.0359","","","0.0731","0.0764","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015150","24.47","0.003","8.8444","0.0008","11.8252","0.0014","90","","97.119","0.009","90","","2539.5","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","exo- 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C96 H144 N16 O32 -","8","2","GD1417","Tripathi, Anil Kumar; Bruhn, Clemens; Flock, Susanne; Frauenrath, Herbert","The <i>endo</i> and <i>exo</i> isomers of 1-(4-isopropyl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","2005","61","12","o705","o706","10.1107/S0108270105035134","","","0.71073","MoKα","","0.0595","0.0312","","","0.0783","0.0843","","","","","","0.895","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015151","9.3587","0.0012","10.3445","0.0013","16.925","0.002","92.079","0.002","95.775","0.002","95.245","0.002","1621.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","(I)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-phenylalanine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","4","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.067","0.0641","","","0.1478","0.1497","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015152","4.863","0.001","10.771","0.002","12.228","0.002","80.45","0.03","89.23","0.03","88.61","0.03","631.4","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","(II)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-serine monohydrate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0492","0.0479","","","0.1131","0.1139","","","","","","1.167","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015153","6.9334","0.0009","8.2977","0.001","13.2491","0.0016","90.78","0.002","93.498","0.002","107.293","0.002","726.02","0.16","100","2","100","2","","","","","","","","4","P 1","P 1","1","(III)","N-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-L-lysine","","- C13 H21 N5 O4 -","- C13 H21 N5 O4 -","- C26 H42 N10 O8 -","2","2","GG1264","Doi, Mitsunobu; Nakamoto, Yasuhiko; Asano, Akiko","Cytosine-containing hybrid dipeptides: <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-phenylalanine <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-serine monohydrate and <i>N</i>-[2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)propionyl]-<small>L</small>-lysine","Acta Crystallographica Section C","2005","61","10","o577","o582","10.1107/S0108270105026259","","","0.71073","MoKα","","0.0426","0.0381","","","0.0969","0.0998","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015154","7.1369","0.0002","18.6755","0.0006","9.8009","0.0004","90","","103.694","0.003","90","","1269.18","0.08","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Di-tert-butylphenol","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","GG1284","Lutz, Martin; Spek, Anthony L.","2,6-Di-<i>tert</i>-butylphenol revisited at 110 K","Acta Crystallographica Section C","2005","61","11","o639","o641","10.1107/S0108270105030325","","","0.71073","MoKα","","0.0483","0.0373","","","0.0932","0.1003","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015155","9.0644","0.0004","10.4661","0.0006","9.7703","0.0005","90","","103.131","0.003","90","","902.66","0.08","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2,3,4-Tetra-O-acetyl-β-D-glucopyranuronic acid monohydrate","","- C14 H20 O12 -","- C14 H20 O12 -","- C28 H40 O24 -","2","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0471","0.0376","","","0.0897","0.0938","","","","","","1.087","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015156","9.483","0.0008","12.6536","0.0012","15.1455","0.0014","90","","90","","90","","1817.4","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetra-O-acetyl-beta-D-glucose","1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0956","0.0464","","","0.1229","0.1483","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015157","13.907","0.003","7.856","0.002","15.357","0.003","90","","93.21","0.02","90","","1675.2","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolinium bromide monohydrate","","- C16 H26 Br N O3 -","- C16 H26 Br N O3 -","- C64 H104 Br4 N4 O12 -","4","1","GG1288","Hempel, Andrew; Lilian Y. Y. Ma; Camerman, Arthur; Mastropaolo, Donald; Camerman, Norman","7,8-Dihydroxy-4-propyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[<i>f</i>]quinolinium bromide monohydrate, a dopamine agonist","Acta Crystallographica Section C","2005","61","12","o681","o682","10.1107/S0108270105033329","","","1.54178","CuKα","","0.0794","0.0329","","","0.0789","0.0848","","","","","","0.699","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015158","14.0121","0.0002","19.6631","0.0003","15.3773","0.0002","90","","110.3","0.0008","90","","3973.63","0.1","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hydronium bis[(-)-N-(trans-4-isopropylcyclohexanecarbonyl)-D-phenylalanine] chloride","","- C38 H57 Cl N2 O7 -","- C38 H57 Cl N2 O7 -","- C152 H228 Cl4 N8 O28 -","4","2","GG1291","Limor Tessler; Israel Goldberg","Bis(nateglinide) hydronium chloride, and its unique self-assembly into extended polymeric arrays <i>via</i> O—H···O, N—H···Cl and O—H···Cl hydrogen bonds","Acta Crystallographica Section C","2005","61","12","o738","o740","10.1107/S0108270105037558","","","0.71073","MoKα","","0.0925","0.0553","","","0.1021","0.1151","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015159","11.3331","0.0009","5.4092","0.0003","20.3509","0.0018","90","","90.653","0.007","90","","1247.49","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C14 H9 N5 S -","- C14 H9 N5 S -","- C56 H36 N20 S4 -","4","1","GZ1015","Dinçer, Muharrem; Özdemir, Namık; Çetin, Ahmet; Cansız, Ahmet; Büyk̈güngör, Orhan","6-Phenyl-3-(4-pyridyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","2005","61","11","o665","o667","10.1107/S0108270105032403","","","0.71073","MoKα","","0.0614","0.0373","","","0.0719","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015160","13.9223","0.0018","14.2423","0.0018","21.57","0.003","83.079","0.002","72.024","0.002","70.605","0.002","3836.6","0.9","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","9,9-di-n-octyl-9H-fluorene","","- C29 H42 -","- C29 H42 -","- C174 H252 -","6","3","GZ1016","McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.","9,9-Di-<i>n</i>-octyl-9<i>H</i>-fluorene","Acta Crystallographica Section C","2005","61","12","o671","o673","10.1107/S0108270105032786","","","0.71073","MoKα","","0.1046","0.0596","","","0.1584","0.1903","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015161","5.554","0.001","18.754","0.003","8.974","0.002","90","","101.84","0.03","90","","914.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isatin 3-semicarbazone","1H-indole-2,3-dione 3-semicarbazone","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","1.54178","CuKα","","0.0593","0.0337","","","0.0789","0.0915","","","","","","0.929","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015162","3.984","0.002","20.93","0.006","12.122","0.002","90","","90","","90","","1010.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylisatin-3-semicarbazone","1-methylindole-2,3-dione 3-semicarbazone","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","0.71073","MoKα","","0.0343","0.0278","","","0.0742","0.0768","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015163","7.607","0.002","13.615","0.003","14.544","0.003","90","","90","","90","","1506.3","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis(1H-benzimidazol-2-ylmethyl)aminium chloride","","- C16 H16 Cl N5 -","- C16 H16 Cl N5 -","- C64 H64 Cl4 N20 -","4","1","HJ1062","Xue-Li Zhang; Sheng-Run Zheng; Yue-Peng Cai; Cheng-Yong Su","2,2'-(Iminodimethylene)bis(1<i>H</i>-benzimidazolium)(1+) chloride","Acta Crystallographica Section C","2005","61","11","o642","o644","10.1107/S0108270105021992","","","0.71073","MoKα","","0.0332","0.0266","","","0.0639","0.0672","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015164","7.4666","0.0006","10.0219","0.0008","10.3856","0.0008","90","","106.444","0.001","90","","745.36","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κN:κN':κO] monohydrate]","","- C14 H16 Co N4 O5 -","- C14 H16 Co N4 O5 -","- C28 H32 Co2 N8 O10 -","2","0.5","HJ1066","You-Huan Wei; An-Zhi Tan; Zi-Lu Chen; Fu-Pei Liang; Rui-Xiang Hu","Poly[[cobalt(II)-di-μ~3~-3,5-diaminobenzoato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>] monohydrate]","Acta Crystallographica Section C","2005","61","10","m453","m455","10.1107/S0108270105028349","","","0.71073","MoKα","","0.0299","0.0279","","","0.0773","0.0789","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015165","10.885","0.002","16.216","0.003","11.108","0.002","90","","96.04","0.03","90","","1949.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[μ-hexanedioato-1κO^1^:2κO^6^-bis[[[aqua(5-carboxypentanoato- κO]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN']copper(II)]]","","- C19 H23 Cu N2 O7 -","- C19 H23 Cu N2 O7 -","- C76 H92 Cu4 N8 O28 -","4","1","HJ1068","Jian-Li Lin; Yue-Qing Zheng","<i>catena</i>-Poly[[μ-hexanedioato-1κ<i>O</i>^1^:2κ<i>O</i>^6^-bis[aqua(5-carboxypentanoato-κ<i>O</i>)copper(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>']","Acta Crystallographica Section C","2005","61","12","m501","m503","10.1107/S0108270105032506","","","0.71073","MoKα","","0.0423","0.0357","","","0.0969","0.101","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015166","12.101","0.005","24.379","0.005","10.679","0.005","90","0.005","105.413","0.005","90","0.005","3037","2","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[[bis(4,4'-bipyridine-κN)cadmium(II)]-μ~3~-4,4'-dicarboxybiphenyl- 3,3'-dicarboxylato] 0.352-hydrate","","- C36 H24.7 Cd N4 O8.35 -","- C36 H24 Cd N4 O8.352 -","- C144 H96 Cd4 N16 O33.408 -","4","1","HJ1069","Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang","A novel cadmium(II) coordination polymer with biphenyl-3,3',4,4'-tetracarboxylic acid and 4,4'-bipyridine","Acta Crystallographica Section C","2005","61","11","m469","m471","10.1107/S0108270105028751","","","0.71069","MoKα","","0.1346","0.0482","","","0.0867","0.1151","","","","","","0.955","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2015167","20.174","0.003","7.343","0.001","10.614","0.0014","90","","90","","90","","1572.3","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","","","- C10 H21 I2 N3 -","- C10 H21 I2 N3 -","- C40 H84 I8 N12 -","4","0.5","HJ1071","Janzen, Daron E.; Ewbank, Paul C.; Mann, Kent R.","1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate","Acta Crystallographica Section C","2005","61","11","o631","o633","10.1107/S0108270105028763","","","0.71069","MoKα","","0.0409","0.0291","","","0.0432","0.0451","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015168","8.4822","0.0005","13.6287","0.0009","14.3131","0.0009","63.081","0.005","81.702","0.005","85.936","0.005","1459.86","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","N-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","","- C10 H17 N4 O6 P -","- C10 H17 N4 O6 P -","- C40 H68 N16 O24 P4 -","4","2","HJ1076","Dinçer, Muharrem; Özdemir, Namık; Sarıpınar, Emin; Kulak, Lalehan; Büyükgüngör, Orhan","<i>N</i>-(2,4-Dimethoxybenzylideneamino)guanidinium dihydrogenphosphate","Acta Crystallographica Section C","2005","61","12","o722","o724","10.1107/S0108270105037522","","","0.71073","MoKα","","0.0796","0.0549","","","0.1407","0.1529","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015169","9.6992","0.0018","6.4069","0.0012","12.919","0.002","90","","93.974","0.014","90","","800.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","deacetylcephalothin","(6R,7R)-3-hydroxymethyl-8-oxo-7-(2-thiophen-2-ylacetylamino) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid]","","- C14 H14 N2 O5 S2 -","- C14 H14 N2 O5 S2 -","- C28 H28 N4 O10 S4 -","2","1","JZ1751","Zachara, Janusz; Madura, Izabela D.; Zimniak, Andrzej; Oszczapowicz, Irena; Chrobak, Iwona","The hydrogen-bonding network in deacetylcephalothin","Acta Crystallographica Section C","2005","61","11","o625","o627","10.1107/S0108270105029811","","","0.71073","MoKα","","0.0431","0.0376","","","0.0867","0.0901","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015170","8.5118","0.0007","7.2369","0.0013","21.181","0.005","90","","96.714","0.015","90","","1295.8","0.4","295","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.084","0.0438","","","0.1071","0.1265","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015171","6.7621","0.0009","8.6521","0.0013","11.4715","0.0018","98.523","0.011","102.398","0.012","102.991","0.009","624.97","0.17","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C24 H26 N6 O4 S2 -","2","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.049","0.0453","","","0.1243","0.1296","","","","","","1.109","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015172","10.773","0.0019","9.271","0.004","12.5769","0.0016","90","","95.71","0.02","90","","1249.9","0.6","295","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methylanilino)pyridine-3-sulfonamide","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","JZ1757","Košutić Hulita, Nada; Danilovski, Aleksandar; Filić, Darko; Marinković, Marina; Meštrović, Ernest; Dumić, Miljenko","Supramolecular structures of three isomeric 4-(methylphenylamino)pyridine-3-sulfonamides","Acta Crystallographica Section C","2005","61","11","o648","o651","10.1107/S0108270105031902","","","0.71073","MoKα","","0.0728","0.0413","","","0.1046","0.1208","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015173","26.626","0.002","6.6818","0.0005","16.8821","0.0013","90","","107.565","0.001","90","","2863.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dichlorobis(2-picolylamine)iron(II)","cis/trans-dichlorobis(2-picolylamine)iron(II)","","- C12 H16 Cl2 Fe N4 -","- C12 H16 Cl2 Fe N4 -","- C96 H128 Cl16 Fe8 N32 -","8","1","LN1183","Karl W. Törnroos; Dmitry Chernyshov; Marc Hostettler; Hans-Beat Bürgi","Co-crystallized <i>cis</i> and <i>trans</i> isomers of dichlorobis(2-picolylamine)iron(II)","Acta Crystallographica Section C","2005","61","10","m450","m452","10.1107/S0108270105028167","","","0.71073","MoKα","","0.0389","0.0266","","","0.0591","0.063","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015174","11.382","0.002","14.048","0.003","13.162","0.003","90","","91.16","0.03","90","","2104.1","0.8","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(2,6-difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H14 F5 N O5 S -","- C22 H14 F5 N O5 S -","- C88 H56 F20 N4 O20 S4 -","4","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1377","0.048","","","0.1087","0.1442","","","","","","0.971","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015175","8.306","0.002","9.057","0.002","11.423","0.002","69.94","0.03","77.8","0.03","72.16","0.03","762.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2,6-difluorophenyl acridine-9-carboxylate","","- C20 H11 F2 N O2 -","- C20 H11 F2 N O2 -","- C40 H22 F4 N2 O4 -","2","1","LN1184","Artur Sikorski; Karol Krzymiński; Agnieszka Niziołek; Jerzy Błażejowski","9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C—H···O, C—F···π, S—O···π and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","12","o690","o694","10.1107/S0108270105033779","","","0.71073","MoKα","","0.1191","0.0423","","","0.1","0.1287","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015176","7.0679","0.0018","15.983","0.004","8.907","0.002","90","","104.78","0.01","90","","972.9","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒pyrene (1/1)","","- C24 H10 Cl4 N2 -","- C24 H10 Cl4 N2 -","- C48 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.041","0.032","","","0.077","0.081","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015177","7.1731","0.0018","15.599","0.004","9.104","0.002","90","","110.6","0.01","90","","953.5","0.4","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile‒phenanthrene (1/1)","","- C22 H10 Cl4 N2 -","- C22 H10 Cl4 N2 -","- C44 H20 Cl8 N4 -","2","0.5","LN1185","Britton, Doyle","1:1 Complexes of 2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile with pyrene and phenanthrene: pseudo-isomorphs","Acta Crystallographica Section C","2005","61","11","o662","o664","10.1107/S0108270105032002","","","0.71073","MoKα","","0.049","0.042","","","0.112","0.115","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015178","8.6379","0.0002","13.3638","0.0003","16.3161","0.0003","90","","90","","90","","1883.45","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1.3^]dodecan- 11-one thiosemicarbazone","","- C17 H25 Cl2 N3 S -","- C17 H25 Cl2 N3 S -","- C68 H100 Cl8 N12 S4 -","4","1","LN1186","Ourhriss, N; Giorgi, M.; Mazoir, N.; Benharref, A.","Absolute configuration and conformational disorder of a tricyclic thiosemicarbazone derivative","Acta Crystallographica Section C","2005","61","12","o699","o701","10.1107/S0108270105033470","","","0.71073","MoKα","","0.032","0.0294","","","0.0704","0.0724","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015179","20.8661","0.0003","9.6138","0.0002","16.0702","0.0005","90","","107.887","0.0008","90","","3067.9","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate methanol disolvate","","- C34 H47 N O6 -","- C34 H47 N O6 -","- C136 H188 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1176","0.0643","","","0.142","0.1679","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015180","23.818","0.0009","9.8444","0.0003","12.3959","0.0004","90","","93.177","0.0012","90","","2902.05","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidinium-1-yl]- butyl}phenyl)-2-methylpropionate dihydrate","","- C32 H43 N O6 -","- C32 H43 N O6 -","- C128 H172 N4 O24 -","4","1","LN1187","Limor Tessler; Israel Goldberg","The methanol disolvate and the dihydrate of fexofenadine, an antihistamine drug","Acta Crystallographica Section C","2005","61","12","o707","o710","10.1107/S0108270105035651","","","0.71073","MoKα","","0.1738","0.0731","","","0.1716","0.2143","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015181","11.086","0.002","21.846","0.005","7.2","0.0015","90","","105.615","0.004","90","","1679.4","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline- κ^2^N,N')cadmium(II)]-μ~3~-thiosulfato-κ^3^S:S:O]","","- C16 H18 Cd N2 O4 S2 -","- C16 H18 Cd N2 O4 S2 -","- C64 H72 Cd4 N8 O16 S8 -","4","1","OB1239","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[aqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ~3~-thiosulfato-κ^3^<i>S</i>:<i>S</i>:<i>O</i>]","Acta Crystallographica Section C","2005","61","11","m494","m496","10.1107/S0108270105025151","","","0.71073","MoKα","","0.0846","0.0579","","","0.1019","0.11","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015182","11.5406","0.0012","9.2179","0.0007","22.432","0.002","90","","90.263","0.008","90","","2386.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5- hexafluorocyclopent-1-ene","","- C27 H18 F6 S2 -","- C27 H18 F6 S2 -","- C108 H72 F24 S8 -","4","1","OB1244","Pu, Shou-Zhi; Liu, Gang; Chen, Bing; Wang, Ru-Ji","1-(2-Methyl-5-phenyl-3-thienyl)-2-(3-methyl-5-phenyl-2-thienyl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a novel photochromic hybrid diarylethene","Acta Crystallographica Section C","2005","61","10","o599","o601","10.1107/S0108270105028143","","","0.71073","MoKα","","0.0713","0.0544","","","0.1039","0.1116","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015183","13.1896","0.001","24.3104","0.0018","8.0185","0.0006","90","","100.103","0.002","90","","2531.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Mg N8 O -","- C33 H20 Mg N8 O -","- C132 H80 Mg4 N32 O4 -","4","1","RB1016","Ilia A. Guzei; Robert W. McGaff; Heidi M. Kieler","Why magnesium is five-coordinate in methanol(phthalocyaninato)magnesium(II)","Acta Crystallographica Section C","2005","61","11","m472","m475","10.1107/S0108270105029732","","","0.71073","Mo-Kα","","0.0655","0.043","","","0.1059","0.1195","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015184","16.93","0.003","10.7694","0.0018","17.665","0.003","90","","111.543","0.005","90","","2995.8","0.9","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Cyanophenyl)ethenyl]-N-methylpyridinium tetraphenylborate","","- C39 H33 B N2 -","- C39 H33 B N2 -","- C156 H132 B4 N8 -","4","1","SF1010","Dan Jin; De-Chun Zhang","4-[2-(4-Cyanophenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2005","61","11","o657","o659","10.1107/S010827010503060X","","","0.7107","MoKα","","0.0627","0.051","","","0.1143","0.1208","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015185","7.9043","0.0016","10.23","0.002","12.597","0.003","102.32","0.03","102.61","0.03","110.5","0.03","883","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium tetrahydrate","","- C6 H18 N4 O11 S3 V -","- C6 H18 N4 O11 S3 V -","- C12 H36 N8 O22 S6 V2 -","2","1","SF1012","Zhi-Yong Wu; Yan-Tuan Li; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)oxosulfatovanadium(IV) tetrahydrate","Acta Crystallographica Section C","2005","61","11","m463","m465","10.1107/S0108270105028982","","","0.71073","MoKα","","0.0365","0.0307","","","0.0823","0.0885","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015186","15.649","0.002","15.649","0.002","8.653","0.002","90","","90","","90","","2119","0.6","150","2","150","2","","","","","","","","5","I 4","I 4","79","","Dichlorotetrakis[3-(4-pyridyl)-1H-pyrazole]cobalt(II) acetonitrile tetrasolvate","","- C40 H40 Cl2 Co N16 -","- C40 H40 Cl2 Co N16 -","- C80 H80 Cl4 Co2 N32 -","2","0.25","SF1015","Graham M. Davies; Harry Adams; Michael D. Ward","Dichlorotetrakis[3-(4-pyridyl)-1<i>H</i>-pyrazole]cobalt(II) acetonitrile tetrasolvate: an infinite hydrogen-bonded network, in an instant","Acta Crystallographica Section C","2005","61","11","m485","m487","10.1107/S0108270105031732","","","0.71073","MoKα","","0.0341","0.029","","","0.0672","0.0692","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015187","5.9845","0.0002","5.5962","0.0002","19.1168","0.0006","90","","104.558","0.002","90","","619.67","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Nitrobenzaldehyde 3-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.0696","0.0644","","","0.147","0.1493","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015188","6.228","0.0007","5.3947","0.001","19.249","0.004","90","","106.847","0.011","90","","618.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C26 H20 N8 O8 -","2","0.5","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.154","0.0682","","","0.1762","0.2076","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015189","17.9563","0.0016","3.716","0.0002","22.0624","0.0017","90","","124.406","0.005","90","","1214.58","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrobenzaldehyde 2-nitrophenylhydrazone","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","SK1867","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three isomeric (<i>E</i>)-nitrobenzaldehyde nitrophenylhydrazones: chains of rings in isomorphous (<i>E</i>)-2-nitrobenzaldehyde 3-nitrophenylhydrazone and (<i>E</i>)-3-nitrobenzaldehyde 2-nitrophenylhydrazone, and centrosymmetric dimers in (<i>E</i>)-4-nitrobenzaldehyde 2-nitrophenylhydrazone","Acta Crystallographica Section C","2005","61","10","o613","o616","10.1107/S0108270105028799","","","0.71073","MoKα","","0.1205","0.0692","","","0.1505","0.1696","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015190","6.8859","0.0003","24.7258","0.0012","7.2582","0.0002","90","","107.953","0.002","90","","1175.61","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 F2 N3 O -","- C13 H9 F2 N3 O -","- C52 H36 F8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.052","0.0407","","","0.0956","0.1009","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015191","7.7369","0.0002","10.7764","0.0004","14.9091","0.0005","90","","90.24","0.0018","90","","1243.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-dichlorobenzaldehyde isonicotinoylhydrazone","","- C13 H9 Cl2 N3 O -","- C13 H9 Cl2 N3 O -","- C52 H36 Cl8 N12 O4 -","4","1","SK1868","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher","π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","2005","61","10","o617","o620","10.1107/S0108270105029136","","","0.71073","MoKα","","0.0403","0.0313","","","0.0853","0.0993","","","","","","1.154","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015192","7.6466","0.0006","17.0714","0.0012","19.7596","0.0014","90","","98.06","0.001","90","","2553.9","0.3","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate","","- C25 H33 N2 O4 P S -","- C25 H33 N2 O4 P S -","- C100 H132 N8 O16 P4 S4 -","4","1","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0528","0.0393","","","0.0827","0.0865","","","","","","0.929","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015193","29.333","0.002","9.9415","0.0007","23.3483","0.0017","90","","112.542","0.001","90","","6288.5","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","imidazolium 6,6'-di-tert-butyl-4,4'-dimethyl-2,2'-thiodiphenylphosphate diisopropyl hydrazodicarboxylate hemisolvate","","- C58 H82 N6 O12 P2 S2 -","- C58 H82 N6 O12 P2 S2 -","- C232 H328 N24 O48 P8 S8 -","4","0.5","SK1869","Pavan Kumar, K. V. P.; Kumara Swamy, K. C.","Two phosphate‒imidazole complexes with and without a hydrogen-bonded guest molecule","Acta Crystallographica Section C","2005","61","11","o668","o670","10.1107/S0108270105031744","","","0.71073","MoKα","","0.0798","0.0484","","","0.1209","0.1348","","","","","","0.947","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2015194","13.6671","0.0008","7.0632","0.0004","23.5991","0.0017","90","","90","","90","","2278.1","0.2","150","2","150","2","","","","","","","","5","P n a b","-P 2bc 2n","60","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0373","0.0248","","","0.0439","0.047","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015195","12.1244","0.0016","8.1353","0.0011","23.267","0.003","90","","91.654","0.002","90","","2294","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Caesium 5-hydroxyhydurilate hemihydrate","poly[[caesium-μ~5~-5-hydroxyhydurilato] hemihydrate]","","- C8 H6 Cs N4 O7.5 -","- C8 H6 Cs N4 O7.5 -","- C64 H48 Cs8 N32 O60 -","8","1","SK1870","Nichol, Gary S.; Clegg, William","Polymorphism in an unexpected caesium complex of 5-hydroxyhydurilic acid","Acta Crystallographica Section C","2005","61","10","m459","m462","10.1107/S0108270105029318","","","0.71073","MoKα","","0.0459","0.0435","","","0.0811","0.0818","","","","","","1.418","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015196","7.54","0.001","9.388","0.001","12.228","0.001","76.208","0.001","85.222","0.001","77.32","0.001","819.67","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]zinc(II)}","","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","- C30 H24 Cl4 N4 O6 Zn2 -","1","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.0578","0.0406","","","0.0995","0.1107","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015197","8.718","0.001","13.387","0.002","13.564","0.002","90","","103.305","0.002","90","","1540.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thiocyanato-bis{[2,4-dichloro-6-(2- pyridylmethyliminomethyl)phenolato]copper(II)}","","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C28 H18 Cl4 Cu2 N6 O2 S2 -","- C56 H36 Cl8 Cu4 N12 O4 S4 -","2","0.5","SK1871","You, Zhong-Lu","Di-μ-acetato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)} and di-μ-thiocyanato-bis{[2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]copper(II)}","Acta Crystallographica Section C","2005","61","11","m466","m468","10.1107/S0108270105030192","","","0.71073","MoKα","","0.082","0.0469","","","0.0911","0.1046","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015198","7.2773","0.0002","7.6207","0.0001","11.6821","0.0003","100.248","0.002","107.777","0.001","92.529","0.002","603.73","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N-(2-nitrophenyl)-2-iodobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C26 H18 I2 N4 O6 -","2","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0197","0.0184","","","0.0448","0.0453","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015199","8.8908","0.0002","9.7468","0.0002","15.0112","0.0002","90","","90","","90","","1300.82","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0173","0.0165","","","0.0357","0.0361","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015200","7.3096","0.0002","10.9305","0.0004","15.3801","0.0005","90","","94.569","0.002","90","","1224.93","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0501","0.0413","","","0.1062","0.112","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015201","8.2161","0.0003","10.8475","0.0003","14.1397","0.0004","90","","106.292","0.0018","90","","1209.59","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0655","0.0449","","","0.118","0.1316","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015202","7.7821","0.0003","10.6633","0.0004","14.8417","0.0006","90","","100.799","0.002","90","","1209.8","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-nitrobenzaldehyde isonicotinoylhydrazone","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0867","0.0513","","","0.12","0.1392","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015203","6.7545","0.0002","13.8578","0.0005","15.2311","0.0005","90","","91.098","0.002","90","","1425.41","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H11 N5 O6 -","- C13 H11 N5 O6 -","- C52 H44 N20 O24 -","4","1","SK1873","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four nitrobenzaldehyde isonicotinoylhydrazones at 120K: four different supramolecular structures in two and three dimensions","Acta Crystallographica Section C","2005","61","12","o683","o689","10.1107/S0108270105032580","","","0.71073","MoKα","","0.0516","0.0393","","","0.1068","0.1157","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015204","11.959","0.002","10.691","0.002","12.257","0.003","90","","104.93","0.03","90","","1514.2","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diisonicotinamidium squarate","bis(4-carbamoylpyridinium) squarate","","- C16 H14 N4 O6 -","- C16 H14 N4 O6 -","- C64 H56 N16 O24 -","4","0.5","SK1874","Köroglu, Ahmet; Bulut, Ahmet; Uçar, Ibrahim; Nichol, Gary S.; Harrington, Ross W.; Clegg, William","Proton sharing in bis(4-carbamoylpyridinium) squarate","Acta Crystallographica Section C","2005","61","12","o678","o680","10.1107/S0108270105032622","","","0.71073","MoKα","","0.0608","0.0387","","","0.0954","0.1051","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015205","11.93","0.002","21.79","0.004","7.77","0.0016","90","","90","","90","","2019.8","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N',N''-Tris(p-methoxyphenyl)phosphoric triamide","","- C21 H24 N3 O4 P -","- C21 H24 N3 O4 P -","- C84 H96 N12 O16 P4 -","4","1","SK1875","Li, Chenguang; Dyer, Daniel J.; Rath, Nigam P.; Robinson, Paul D.","<i>N</i>,<i>N</i>',<i>N</i>''-Tris(<i>p</i>-methoxyphenyl)phosphoric triamide","Acta Crystallographica Section C","2005","61","11","o654","o656","10.1107/S0108270105031720","","","0.71073","MoKα","","0.05","0.04","","","0.094","0.1","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015206","15.6775","0.001","6.2641","0.0004","22.811","0.002","90","","124.292","0.006","90","","1850.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","hydronium diaqua-1κO,2κO-trichloro-1κCl;2κ^2^Cl-μ-dimethylglycinato-1κO:2κ^2^O',N- dimethylglycinato-1κ^2^N,O-dicuprate(II)","","- C8 H23 Cl3 Cu2 N2 O7 -","- C8 H23 Cl3 Cu2 N2 O7 -","- C32 H92 Cl12 Cu8 N8 O28 -","4","1","SK1876","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.","Weak antiferromagnetic interactions in hydronium diaqua-1κ<i>O</i>,2κ<i>O</i>-trichloro-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-μ-dimethylglycinato-1κ<i>O</i>:2κ^2^<i>O</i>',<i>N</i>-dimethylglycinato-1κ^2^<i>N</i>,<i>O</i>-dicuprate(II)","Acta Crystallographica Section C","2005","61","12","m507","m509","10.1107/S0108270105034141","","","0.71073","MoKα","","0.0525","0.0293","","","0.0774","0.0869","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015207","5.9538","0.0004","8.994","0.0006","18.7484","0.0008","90","","98.324","0.004","90","","993.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Benzylethylammonium nitrate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","SK1877","Abonia, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","<i>N</i>-Benzylethylammonium nitrate: a three-dimensional hydrogen-bonded framework comprising substructures in zero, one and two dimensions","Acta Crystallographica Section C","2005","61","11","o645","o647","10.1107/S0108270105031719","","","0.71073","MoKα","","0.0541","0.0425","","","0.1239","0.1319","","","","","","1.113","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015208","4.965","0.0009","8.621","0.0017","10.261","0.0017","100.474","0.002","102.939","0.002","99.823","0.002","410.56","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","violuric acid methanol solvate","pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime methanol solvate","","- C5 H7 N3 O5 -","- C5 H7 N3 O5 -","- C10 H14 N6 O10 -","2","1","SK1883","Nichol, Gary S.; Clegg, William","Hydrogen-bonding and carbonyl‒carbonyl interactions in violuric acid methanol solvate","Acta Crystallographica Section C","2005","61","12","o718","o721","10.1107/S010827010503605X","","","0.6751","synchrotron","","0.0461","0.041","","","0.1091","0.1127","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015209","7.2055","0.0002","9.6702","0.0004","12.9606","0.0006","93.9639","0.0019","92.624","0.002","107.904","0.002","855.15","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-methyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C40 H42 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.0886","0.0528","","","0.1174","0.1372","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015210","7.0677","0.0002","11.2167","0.0004","12.1844","0.0004","83.6482","0.0015","86.333","0.002","73.2481","0.0018","918.74","0.05","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","(±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O3 -","- C21 H23 F2 N O3 -","- C42 H46 F4 N2 O6 -","2","1","SK1884","Linden, Anthony; Şimşek, Rahime; Gündz̈, Miyase; Şafak, Cihat","(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section C","2005","61","12","o731","o734","10.1107/S0108270105037066","","","0.71073","MoKα","","0.077","0.0519","","","0.1267","0.1429","","","","","","1.04","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015211","17.5504","0.0003","17.5504","0.0003","6.8504","0.0002","90","","90","","90","","2110.04","0.08","293","","293","","","","","","","","","5","I 4/m","-I 4","87","octakis(nitroso-acetato-palladium(II))","octakis(μ-acetato-κ^2^O:O)octakis(μ-nitroso-κ^2^N:O)octapalladium(II)","","- C16 H24 N8 O24 Pd8 -","- C16 H24 N8 O24 Pd8 -","- C32 H48 N16 O48 Pd16 -","2","0.125","SQ1216","Kirik, Sergei D.; Mulagaleev, Ruslan F.; Blokhin, Alexander I.","[Pd~8~(CH~3~COO)~8~(NO)~8~]: solution from X-ray powder diffraction data","Acta Crystallographica Section C","2005","61","10","m445","m447","10.1107/S0108270105027095","","","1.5418","CuKα","","","","","","","","","","1.39","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015212","10.292","0.001","10.292","0.001","8.1271","0.0008","90","","90","","120","","745.53","0.13","298","2","299","2","","","","","","","","4","P -3","-P 3","147","","tetrapotassium cobalt tetramolybdate","","- Co K4 Mo4 O15 -","- Co K4 Mo4 O15 -","- Co2 K8 Mo8 O30 -","2","0.333333","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0663","0.045","","","0.0878","0.0938","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015213","8.0804","0.0006","10.3856","0.0004","24.2048","0.0011","90","","90.728","0.005","90","","2031.1","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","hexapotassium cobalt pentamolybdate","","- Co K6 Mo5 O19 -","- Co K6 Mo5 O19 -","- Co4 K24 Mo20 O76 -","4","1","SQ1222","Engel, Jens; Ehrenberg, Helmut; Fuess, Hartmut","The K~2<i>n~</i>CoMo~2+<i>n~</i>O~7+4<i>n~</i> family of structures, with <i>n</i> = 2, 3 or 5","Acta Crystallographica Section C","2005","61","11","i111","i112","10.1107/S0108270105025242","","","0.71073","MoKα","","0.0637","0.0439","","","0.1024","0.1142","","","","","","1.345","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015214","8.2459","0.0008","12.6631","0.0015","14.3286","0.0016","111.782","0.002","98.825","0.002","100.605","0.002","1324.7","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaqua[trans-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-trans- 3-(4-pyridyl)acrylato] dihydrate]","","- C24 H26 N3 O10 Sm -","- C24 H26 N3 O10 Sm -","- C48 H52 N6 O20 Sm2 -","2","1","SQ1225","Zhu, Yan-Jun; Chen, Jin-Xiang; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-<i>trans</i>-3-(4-pyridyl)acrylato] dihydrate]","Acta Crystallographica Section C","2005","61","11","m491","m493","10.1107/S0108270105031471","","","0.7107","MoKα","","0.0292","0.0267","","","0.0627","0.0641","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015215","6.4664","0.0006","6.1623","0.0005","13.0851","0.0011","90","","94.548","0.002","90","","519.77","0.08","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Disilver(I) dimercury(II) tris[tetraoxotellurate(VI)]","","- Ag2 Hg2 O12 Te3 -","- Ag2 Hg2 O12 Te3 -","- Ag4 Hg4 O24 Te6 -","2","0.5","SQ1228","Weil, Matthias","Ag~2~Hg~2~(TeO~4~)~3~","Acta Crystallographica Section C","2005","61","10","i103","i105","10.1107/S0108270105028210","","","0.71073","MoKα","","0.0307","0.0239","","","0.0501","0.0515","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015216","11.5352","0.001","23.39","0.002","25.239","0.002","90","","98.423","0.002","90","","6736.2","1","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^C~2~,N]iridium(III)] dichloromethane disolvate","","- C66 H56 Cl6 Ir2 N8 O12 -","- C66 H56 Cl6 Ir2 N8 O12 -","- C264 H224 Cl24 Ir8 N32 O48 -","4","0.5","SQ1229","Chen, Lian-Qing; Yang, Chu-Luo; Qin, Jin-Gui","Di-μ-chloro-bis{bis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole- κ^2^<i>C</i>~2~,<i>N</i>]iridium(III)] dichloromethane disolvate","Acta Crystallographica, Section C","2005","61","","m513","m515","10.1107/S0108270105031951","","","0.71073","MoKα","","0.0712","0.0468","","","0.11","0.1221","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2015217","5.423","0.0002","16.2077","0.0009","24.0104","0.0013","90","","90","","90","","2110.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2',3'-Didehydro-2',3'-deoxythymidine","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","2","SQ1230","Mirmehrabi, Mahmoud; Rohani, Sohrab; Jennings, Michael C.","Stavudine","Acta Crystallographica Section C","2005","61","12","o695","o698","10.1107/S0108270105034591","","","0.71073","MoKα","","0.0921","0.0586","","","0.146","0.1677","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015218","13.922","0.001","9.4366","0.0006","16.799","0.001","90","","126.08","0.01","90","","1783.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[Bis(1,5-dimethyl-1H-pyrazol-3-ylmethyl)amino]phenol monohydrate","","- C18 H25 N5 O2 -","- C18 H25 N5 O2 -","- C72 H100 N20 O8 -","4","1","SQ1231","El Kodadi, Mohamed; Ramdani, Abdelkrim; Fouad, Malek; Eddike, Driss; Tillard, Monique; Belin, Claude","4-[Bis(1,5-dimethyl-1<i>H</i>-pyrazol-3-ylmethyl)amino]phenol monohydrate","Acta Crystallographica Section C","2005","61","12","o735","o737","10.1107/S010827010503461X","","","0.71073","MoKα","","0.0679","0.0492","","","0.114","0.1237","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015219","8.6245","0.0007","11.6423","0.001","13.1778","0.0011","97.658","0.003","104.134","0.003","110.821","0.003","1163.44","0.17","298","2","","","","","","","","","","5","P -1","-P 1","2","","(±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-b]pyrrole- 1,2-dicarboxylic anhydride","","- C27 H21 N O4 S -","- C27 H21 N O4 S -","- C54 H42 N2 O8 S2 -","2","1","TA1509","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Cordaro, Massimiliano; Risitano, Francesco; Grassi, Giovanni","An unusual acid: (±)-3-benzoyl-1,2-dimethyl-8a-phenyl-2-benzothieno[2,3-<i>b</i>]pyrrole-1,2-dicarboxylic anhydride","Acta Crystallographica Section C","2005","61","10","o610","o612","10.1107/S010827010502874X","","","0.71073","MoKα","","","0.0511","","","","0.1619","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015220","5.421","0.002","7.266","0.003","8.717","0.005","71.6","0.06","79.26","0.06","77.63","0.05","315.6","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","dicalcium copper tetratellurium decaoxide dichloride","","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","- Ca2 Cl2 Cu O10 Te4 -","1","0.5","TA1512","Takagi, Rie; Johnsson, Mats","Ca~2~CuTe~4~O~10~Cl~2~, a new synthetic tellurium(IV) oxochloride","Acta Crystallographica Section C","2005","61","10","i106","i108","10.1107/S0108270105028234","","","0.71073","MoKα","","0.021","0.0182","","","0.0429","0.0439","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015221","9.2355","0.0008","9.6894","0.0008","17.1446","0.0015","75.775","0.002","80.917","0.002","81.553","0.002","1459.1","0.2","130","2","130","2","","","","","","","","4","P 1","P 1","1","brucinium dihydrogen citrate trihydrate","2,3-dimethoxy-10-oxostrychnidinium dihydrogencitrate trihydrate","","- C29 H40 N2 O14 -","- C29 H40 N2 O14 -","- C58 H80 N4 O28 -","2","2","TA1515","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in brucinium dihydrogen citrate trihydrate at 130 K","Acta Crystallographica Section C","2005","61","11","o621","o624","10.1107/S0108270105028222","","","0.71073","MoKα","","0.0481","0.0403","","","0.0729","0.0754","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""