# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:55:15+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 = 63 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
"2015717","13.193","0.003","13.982","0.003","20.193","0.004","90","","91.36","0.03","90","","3723.8","1.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaqua-1κ^3^O,2κ^4^O,3κ^3^O-bis(benzene-1,3,5-tricarboxylato)- 1κO,3κO-di-μ-4,4'-bipyridine-1:2κ^2^N:N';2:3κ^2^N:N'-di-4,4'-bipyridine- 1κN,3κN-tricobalt(II) 4,4'-bipyridine solvate octahydrate","","- C68 H82 Co3 N10 O30 -","- C68 H82 Co3 N10 O30 -","- C136 H164 Co6 N20 O60 -","2","0.5","AV3039","Hong-Zhen Xie; Zhi-Feng Li; Yue-Qing Zheng","A new trinuclear cobalt(II) complex: decaaqua-1κ^3^<i>O</i>,2κ^4^<i>O</i>,3κ^3^<i>O</i>-bis(benzene-1,3,5-tricarboxylato)-1κ<i>O</i>,3κ<i>O</i>-di-μ-4,4'-bipyridine-1:2κ^2^<i>N</i>:<i>N</i>';2:3κ^2^<i>N</i>:<i>N</i>'-di-4,4'-bipyridine-1κ<i>N</i>,3κ<i>N</i>-tricobalt(II) 4,4'-bipyridine solvate octahydrate","Acta Crystallographica Section C","2007","63","1","m30","m32","10.1107/S0108270106044726","","","0.71073","MoKα","","0.1468","0.0642","","","0.1249","0.1543","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015718","12.823","0.003","8.28","0.0017","16.776","0.003","90","","101.53","0.03","90","","1745.2","0.7","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","poly[[μ-4,4'-bipyridine-μ~3~-pyridine,2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]","","- C18 H12 Cu2 N3 O7 -","- C18 H12 Cu2 N3 O7 -","- C72 H48 Cu8 N12 O28 -","4","1","AV3040","You-Ren Dong; Xian-Wen Wang; Yue-Qing Zheng","A novel mixed-valence copper complex, poly[[μ~2~-4,4'-bipyridine-μ~3~-pyridine-2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]","Acta Crystallographica Section C","2007","63","1","m19","m21","10.1107/S0108270106044751","","","0.71073","MoKα","","0.2079","0.056","","","0.082","0.1157","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015719","7.5109","0.0012","11.9244","0.0017","8.1794","0.0012","90","","98.405","0.013","90","","724.7","0.19","113","2","113","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-trihydroxy-1,3,5-triazinane-2,4,6-trione dihydrate","","- C3 H7 N3 O8 -","- C3 H7 N3 O8 -","- C12 H28 N12 O32 -","4","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0369","0.0335","","","0.0854","0.0881","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015720","7.765","0.002","12.139","0.003","12.783","0.003","66.36","0.02","76.78","0.02","82.79","0.02","1073.8","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-benzyloxy-1,3,5-triazinane-2,4,6-trione","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C48 H42 N6 O12 -","2","1","AV3046","Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević-Mladar Takač, Milena","Cyclic trihydroxamic acid derivatives","Acta Crystallographica Section C","2007","63","1","o45","o47","10.1107/S0108270106049985","","","0.71073","MoKα","","0.0722","0.0545","","","0.1441","0.1669","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015721","8.17","0.0012","8.9036","0.0013","15.279","0.002","100.828","0.002","90.935","0.002","104.581","0.002","1054.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitro-1,2-benzenedicarboxylato) -κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:\ <i>O</i>^2^,<i>O</i>^1^ -bis[triaqua(3-nitro-2-carboxybenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate","","- C32 H30 La2 N4 O32 -","- C32 H30 La2 N4 O32 -","- C32 H30 La2 N4 O32 -","1","0.5","AV3048","Xiong, Li-Qin; Qi, Chuan-Min","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)-κ^8^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^3^;O^3^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^1^-bis[triaqua(2-carboxy-3-nitrobenzoato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] dihydrate","Acta Crystallographica Section C","2007","63","1","m10","m12","10.1107/S0108270106047822","","","0.71073","MoKα","","0.03","0.0243","","","0.0565","0.059","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015722","5.7037","0.0007","10.7251","0.0014","10.5678","0.0014","90","","90.267","0.002","90","","646.45","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BTSA","Bis(tert-butylsulfonyl)ethyne","","- C10 H18 O4 S2 -","- C10 H18 O4 S2 -","- C20 H36 O8 S4 -","2","0.5","AV3049","Werz, Daniel B.; Ohlbach, Frank; Rominger, Frank; Gleiter, Rolf","Bis(<i>tert</i>-butylsulfonyl)ethyne and 1-<i>tert</i>-butylsulfinyl-2-<i>tert</i>-butylsulfonylethyne","Acta Crystallographica Section C","2007","63","1","o1","o3","10.1107/S0108270106047834","","","0.71073","MoKα","","0.0378","0.0368","","","0.0837","0.0842","","","","","","1.278","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015723","5.7463","0.0004","10.7328","0.0008","10.5299","0.0007","90","","92.109","0.001","90","","648.98","0.08","200","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-tert-Butylsulfonyl-2-tert-butylsulfinylethyne","","- C10 H18 O3 S2 -","- C10 H18 O3 S2 -","- C20 H36 O6 S4 -","2","0.5","AV3049","Werz, Daniel B.; Ohlbach, Frank; Rominger, Frank; Gleiter, Rolf","Bis(<i>tert</i>-butylsulfonyl)ethyne and 1-<i>tert</i>-butylsulfinyl-2-<i>tert</i>-butylsulfonylethyne","Acta Crystallographica Section C","2007","63","1","o1","o3","10.1107/S0108270106047834","","","","","","0.0842","0.0618","","","0.1342","0.1474","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015724","8.256","0.002","16.343","0.003","10.647","0.005","90","","95.499","0.003","90","","1430","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dimagnesium μ-oxo-bis(pentachlororuthenate(IV) hexadecahydrate","","- Cl10 H32 Mg2 O17 Ru2 -","- Cl10 H32 Mg2 O17 Ru2 -","- Cl20 H64 Mg4 O34 Ru4 -","2","0.5","BC3021","Boufas, Sihem; Merazig, Hocine; Bendjeddou, Lamia; Dénés, Georges; Beghidja, Adel","Mg~2~Ru~2~Cl~10~O·16H~2~O","Acta Crystallographica Section C","2007","63","1","i7","i9","10.1107/S0108270106050839","","","0.71073","MoKα","","","0.0284","","","","0.0634","","","","","","1.039","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015725","7.262","0.001","7.262","0.001","22.47","0.005","90","","90","","120","","1026.2","0.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","Magnesium selenite 7.5-hydrate","","","- H15 Mg O10.5 Se -","- H14.98 Mg O10.5 Se -","- H59.92 Mg4 O42 Se4 -","4","0.166667","BC3022","Michel Fleck","Orientational disorder of [Mg(H~2~O)~6~] octahedra in the novel magnesium selenite hydrate Mg(SeO~3~)·7.5H~2~O","Acta Crystallographica Section C","2007","63","1","i1","i3","10.1107/S0108270106047949","","","0.71073","MoKα","","0.0251","0.023","","","0.0519","0.0527","","","","","","1.208","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015726","8.9333","0.0012","6.2164","0.0007","7.5815","0.0012","90","","110.238","0.013","90","","395.03","0.1","292","3","292","3","","","","","","","","4","C 1 2/m 1","-C 2y","12","copper(II) diselenite(IV) dichloride","tricopper(II) diselenium(IV) dichloride hexaoxide","","- Cl2 Cu3 O6 Se2 -","- Cl2 Cu3 O6 Se2 -","- Cl4 Cu6 O12 Se4 -","2","0.25","BC3024","Becker, Richard; Berger, Helmuth; Johnsson, Mats","Monoclinic Cu~3~(SeO~3~)~2~Cl~2~: an oxohalide with an unusual CuO~4~Cl trigonal‒bipyramidal coordination","Acta Crystallographica Section C","2007","63","1","i4","i6","10.1107/S0108270106050621","","","0.71073","MoKα","","0.0266","0.026","","","0.0762","0.0764","","","","","","1.651","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015727","8.9738","0.0006","12.8267","0.0007","11.187","0.0008","90","","98.875","0.005","90","","1272.25","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaquabis[6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olato-κO^4^]bis(3- methylpyridine-κN)nickel(II)}","","- C20 H26 N4 Ni O10 S2 -","- C20 H26 N4 Ni O10 S2 -","- C40 H52 N8 Ni2 O20 S4 -","2","0.5","BG3023","Dege, Necmi; İçbudak, Hasan; Adıyaman, Elif","Bis(acesulfamato-κ<i>O</i>^4^)diaquabis(3-methylpyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2007","63","1","m13","m15","10.1107/S0108270106050591","","","0.71073","MoKα","","0.0545","0.035","","","0.0795","0.0848","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015728","12.4268","0.0002","3.796","0.0001","16.9218","0.0003","90","","107.812","0.001","90","","759.97","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazine‒chloranilic acid (1/1)","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0443","0.0339","","","0.0911","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015729","12.432","0.0003","3.7702","0.0001","16.8848","0.0004","90","","107.778","0.001","90","","753.62","0.03","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","phenazinium chloranilate","","- C18 H10 Cl2 N2 O4 -","- C18 H10 Cl2 N2 O4 -","- C36 H20 Cl4 N4 O8 -","2","1","BM3017","Gotoh, Kazuma; Asaji, Tetsuo; Ishida, Hiroyuki","Hydrogen bonding in two solid phases of phenazine‒chloranilic acid (1/1) determined at 170 and 93 K","Acta Crystallographica Section C","2007","63","1","o17","o20","10.1107/S0108270106049468","","","0.71075","MoKα","","0.0427","0.0323","","","0.0841","0.0885","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015730","22.8628","0.0011","3.6294","0.0002","9.061","0.0004","90","","107.915","0.0014","90","","715.41","0.06","296.1","","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","calcium europium tin oxide","calcium europium tin heptaoxide","","- Ca1.5 Eu3 O7 Sn0.5 -","- Ca1.5 Eu3 O7 Sn0.5 -","- Ca6 Eu12 O28 Sn2 -","4","0.5","FA3035","Yusuke Kaminaga; Takahiro Yamada; Yamane, Hisanori","Ca~1.5~Eu~3~Sn~0.5~O~7~: a calcium europium tin oxide with a novel structure","Acta Crystallographica Section C","2007","63","1","i10","i12","10.1107/S0108270106039916","","","0.71069","MoKα","","0.0297","0.0264","","","0.0579","0.0606","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015731","8.3908","0.0007","9.0698","0.0008","9.7303","0.001","64.734","0.005","71.721","0.01","88.198","0.011","631.33","0.11","293","2","293","2","","","","","","","","4","P 1","P 1","1","2'-Deoxy-5-propynylcytidine","4-amino-1-(2-deoxy-β-D-erythropentofuranosyl)-5-(prop-1- ynyl)pyrimidine-2(1H)-one","","- C12 H15 N3 O4 -","- C12 H15 N3 O4 -","- C24 H30 N6 O8 -","2","2","FA3048","Seela, Frank; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-5-propynylcytidine: a nucleoside forming two solid-state conformations","Acta Crystallographica Section C","2007","63","1","o54","o57","10.1107/S0108270106050736","","","0.71073","MoKα","","0.0431","0.0394","","","0.1085","0.1116","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015732","26.757","0.004","11.2998","0.0015","7.9943","0.0012","90","","96.709","0.012","90","","2400.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>E</i>)-phenyldiazenyl]anilinium hydrogenphosphate","","- C24 H25 N6 O4 P -","- C24 H25 N6 O4 P -","- C96 H100 N24 O16 P4 -","4","1","FA3051","Halasz, Ivan; Kaja Lukić; Hrvoj Vančik","Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene","Acta Crystallographica Section C","2007","63","1","o61","o64","10.1107/S0108270106050979","","","0.71073","MoKα","","0.0987","0.0748","","","0.2109","0.2293","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015733","4.5515","0.0004","10.5973","0.0009","34.705","0.003","90","","90","","90","","1673.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-phenyldiazenyl]anilinium dihydrogenphosphate‒phosphoric acid (1/1)","","- C12 H17 N3 O8 P2 -","- C12 H17 N3 O8 P2 -","- C48 H68 N12 O32 P8 -","4","1","FA3051","Halasz, Ivan; Kaja Lukić; Hrvoj Vančik","Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene","Acta Crystallographica Section C","2007","63","1","o61","o64","10.1107/S0108270106050979","","","0.71073","MoKα","","0.0503","0.0396","","","0.0963","0.1009","","","","","","1.073","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015734","9.4872","0.0009","15.4477","0.0014","10.7567","0.0009","90","","105.878","0.004","90","","1516.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1,4,8,11-tetraazacyclotetradecane(2+) [hepta-μ-sulfido-trisulfidohexaantimony(III)]]","","- C10 H20 N4 S10 Sb6 -","- C10 H20 N4 S10 Sb6 -","- C20 H40 N8 S20 Sb12 -","2","0.5","GA3032","Lees, Rachel J. E.; Powell, Anthony V.; Watkin, David J.; Chippindale, Ann M.","1,4,8,11-Tetraazacyclotetradecane antimony(III) sulfide","Acta Crystallographica Section C","2007","63","1","m27","m29","10.1107/S010827010605044X","","","0.71073","MoKα","","0.0554","0.0492","","0.0382","0.0377","0.0377","","","","","","1.0801","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015735","11.5432","0.0006","9.5417","0.0005","13.1351","0.0007","90","","101.904","0.002","90","","1415.61","0.13","150","2","150","2","","","","","","","","8","P 1 n 1","P -2yac","7","","chloro[(diphenylphosphinoamino)diphenylphosphine oxide]methylpalladium(II) dimethyl sulfoxide solvate","","- C27 H30 Cl N O2 P2 Pd S -","- C27 H30 Cl N O2 P2 Pd S -","- C54 H60 Cl2 N2 O4 P4 Pd2 S2 -","2","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.024","0.0225","","","0.0534","0.0542","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015736","17.3748","0.0005","14.3919","0.0004","18.3124","0.0005","90","","90","","90","","4579.1","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloro{diethoxy[2-(diphenylphosphino)phenyl]methane]methylpalladium(II)","","- C24 H28 Cl O2 P Pd -","- C24 H28 Cl O2 P Pd -","- C192 H224 Cl8 O16 P8 Pd8 -","8","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.0267","0.0201","","","0.0499","0.0557","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015737","16.6938","0.0011","22.1074","0.0015","36.666","0.003","90","","94.46","0.004","90","","13490.8","1.7","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl- κ^2^C^1^,N}iodo(triphenylphosphine-κP)palladium(II)","","- C37 H31 I N O4 P Pd -","- C37 H31 I N O4 P Pd -","- C592 H496 I16 N16 O64 P16 Pd16 -","16","4","GD3068","Jones, Peter G.; López-Serrano, Joaquín","An organometallic compound with <i>Z</i>' = 4: {2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl-κ^2^<i>C</i>^1^,<i>N</i>}iodo(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2007","63","1","m16","m18","10.1107/S0108270106051870","","","0.71073","MoKα","","0.0543","0.0296","","","0.0636","0.0697","","","","","","0.954","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015738","7.444","0.002","10.067","0.002","15.33","0.003","85.06","0.03","89.91","0.03","80.2","0.03","1127.7","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(perchlorato-κO)copper(II) bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(methanol-κO)copper(II) bis(perchlorate) methanol disolvate","","- C20 H52 Cl4 Cu2 N12 O28 -","- C20 H52 Cl4 Cu2 N12 O28 -","- C20 H52 Cl4 Cu2 N12 O28 -","1","0.5","GG3051","Liu, Guang-Fei; Li, Lin-Lin; Zhang,Yong; Lang, Jian-Ping; Ng, Seik Weng","Bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(perchlorato-κ<i>O</i>)copper(II) bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(methanol-κ<i>O</i>)copper(II) bis(perchlorate) methanol disolvate","Acta Crystallographica Section C","2007","63","1","m1","m3","10.1107/S0108270106043265","","","0.71073","MoKα","","0.029","0.027","","","0.074","0.076","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015739","10.5331","0.001","6.8752","0.0006","20.0035","0.0018","90","","90","","90","","1448.6","0.2","133","2","133","2","","","","","","","","2","P n a 21","P 2c -2n","33","","2',5'-Dimethyl-p-terphenyl","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","GG3053","Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr","Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section C","2007","63","1","o73","o76","10.1107/S0108270106052668","","","0.71073","MoKα","","0.0773","0.0687","","","0.1433","0.1474","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015740","11.1019","0.0012","8.2736","0.0011","17.726","0.002","90","","90.248","0.004","90","","1628.2","0.3","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2',5'-bis(bromomethyl)-p-terphenyl","","- C20 H16 Br2 -","- C20 H16 Br2 -","- C80 H64 Br8 -","4","1","GG3053","Jones, Peter G.; Zemanek, Aleksander; Kuś, Piotr","Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-<i>p</i>-terphenyl and 2',5'-bis(bromomethyl)-<i>p</i>-terphenyl","Acta Crystallographica Section C","2007","63","1","o73","o76","10.1107/S0108270106052668","","","0.71073","MoKα","","0.0732","0.0452","","","0.117","0.1318","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015741","7.2228","0.0004","8.4433","0.0003","10.5938","0.0005","98.234","0.003","107.609","0.002","97.907","0.003","598.13","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C26 H30 N6 O4 -","2","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.0841","0.0493","","","0.12","0.1355","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015742","6.1272","0.0002","11.6374","0.0003","20.3182","0.0007","90","","98.629","0.002","90","","1432.38","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.0702","0.0418","","","0.0987","0.1121","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015743","8.0166","0.0002","7.5082","0.0002","18.5507","0.0005","90","","91.814","0.0016","90","","1116.01","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(5-Amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","GG3055","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o21","o25","10.1107/S0108270106050360","","","0.71073","MoKα","","0.054","0.04","","","0.1122","0.1208","","","","","","1.099","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015744","12.74","0.0004","10.8595","0.0003","13.9187","0.0004","90","","110.728","0.001","90","","1801.01","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate","","- C16 H16 Cl3 N3 O3 -","- C16 H16 Cl3 N3 O3 -","- C64 H64 Cl12 N12 O12 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.0538","0.0409","","","0.0839","0.0895","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015745","10.8081","0.0006","10.3597","0.0003","14.427","0.0007","90","","95.281","0.002","90","","1608.52","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone monohydrate","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C64 H76 N12 O20 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.085","0.0471","","","0.1168","0.1334","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015746","8.993","0.0005","16.2713","0.001","11.6311","0.0006","90","","90.354","0.003","90","","1701.92","0.17","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone dihydrate","","- C16 H21 N3 O6 -","- C16 H21 N3 O6 -","- C64 H84 N12 O24 -","4","1","GG3058","Peralta, Monica A.; Souza, Marcus N. V. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o68","o72","10.1107/S0108270106052486","","","0.71073","MoKα","","0.1271","0.0647","","","0.1057","0.1213","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015747","11.0921","0.0003","19.3442","0.0003","20.1742","0.0004","90","","90","","90","","4328.73","0.16","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","hexakis(4-cyanophenyl)benzene","4,4',4'',4''',4'''',4'''''-benzenehexaylhexabenzonitrile dichloromethane disolvate","","- C50 H28 Cl4 N6 -","- C50 H28 Cl4 N6 -","- C200 H112 Cl16 N24 -","4","0.5","GZ3032","Gagnon, Eric; Maly, Kenneth E.; Maris, Thierry; Wuest, James D.","A new pseudopolymorph of hexakis(4-cyanophenyl)benzene","Acta Crystallographica Section C","2007","63","1","o4","o6","10.1107/S0108270106046452","","","1.54178","CuKα","","0.0582","0.0577","","","0.1379","0.1382","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015748","3.7734","0.0005","30.03","0.004","12.075","0.0016","90","","93.894","0.002","90","","1365.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-hydroxybiochanin A monohydrate","4'-methoxy-5,6,7-trihydroxyisoflavone monohydrate","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","GZ3040","Zun-Ting Zhang; Yan-Chang Wang","Hydrogen bonding and π‒π stacking in 6-hydroxybiochanin A monohydrate","Acta Crystallographica Section C","2007","63","1","o51","o53","10.1107/S0108270106044908","","","0.71073","MoKα","","0.0913","0.0461","","","0.0996","0.1219","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015749","4.81","0.0008","10.776","0.0018","10.8756","0.0018","69.325","0.003","85.792","0.003","81.946","0.003","522.03","0.15","300","","300","","","","","","","","","4","P 1","P 1","1","Bis(glycyl-L-aspartic acid) oxalate 0.4-hydrate","bis[2-(2-ammonioacetamido)butanedioic acid] oxalate 0.4-hydrate","","- C14 H22.8 N4 O14.4 -","- C14 H22 N4 O14 -","- C14 H22 N4 O14 -","1","1","HJ3023","R. Chitra; Vijay Thiruvenkatam; R. R. Choudhury; M. V. Hosur; T. N. Guru Row","Conformation and structure of bis(glycyl-<small>L</small>-aspartic acid) oxalate 0.4-hydrate","Acta Crystallographica Section C","2007","63","1","o11","o13","10.1107/S0108270106048566","","","0.71073","MoKα","","0.072","0.0592","","","0.1277","0.1334","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015750","5.5238","0.0007","26.581","0.003","44.093","0.005","90","","90","","90","","6474.1","1.3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","glycyl-L-valine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C196 H392 N56 O84 -","28","7","JZ3047","Görbitz, Carl Henrik; Agustsdottir, Silja; Bleken, Francesca","Pearls on a string: a <i>Z</i>' = 7 structure for glycyl-<small>L</small>-valine","Acta Crystallographica Section C","2007","63","1","o58","o60","10.1107/S0108270106052474","","","0.71073","MoKα","","0.1245","0.0734","","","0.1575","0.1716","","","","","","1.284","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015751","9.435","0.001","18.098","0.008","13.612","0.002","90","","102.485","0.009","90","","2269.3","1.1","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium 2-[(2,4-dinitrophenyl)sulfanylaminocarbonyl]benzoate","","- C20 H24 N4 O7 S -","- C20 H24 N4 O7 S -","- C80 H96 N16 O28 S4 -","4","1","LN3028","Brito, Iván; Vargas, Danitza; Reyes, Andrea; Cárdenas, Alejandro; López-Rodríguez, Matías","Diisopropylammonium 2-[(2,4-dinitrophenyl)sulfanylaminocarbonyl]benzoate","Acta Crystallographica Section C","2007","63","1","o48","o50","10.1107/S0108270106050840","","","0.71073","MoKα","","","0.0587","","","","0.1657","","","","","","1.168","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015752","10.9665","0.0014","10.9665","0.0014","30.796","0.006","90","","90","","90","","3703.7","1","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-tert-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1H-pyrazole","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","1","LN3029","Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-<i>tert</i>-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1<i>H</i>-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2007","63","1","o29","o32","10.1107/S0108270106050335","","","0.71073","MoKα","","0.0888","0.0515","","","0.1042","0.1202","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015753","12.5184","0.0002","18.5142","0.0005","21.758","0.0005","90","","96.073","0.0015","90","","5014.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-tert-butyl-1- phenyl-1H-pyrazole","","- C28 H30 N6 O -","- C28 H30 N6 O -","- C224 H240 N48 O8 -","8","2","LN3029","Abonía, Rodrigo; Rengifo, Emerson; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 3-<i>tert</i>-butyl-5-[(4-methoxybenzyl)amino]-1-phenyl-1<i>H</i>-pyrazole and tetramolecular hydrogen-bonded aggregates in 5-[(benzotriazol-1-ylmethyl)(4-methoxybenzyl)amino]-3-<i>tert</i>-butyl-1-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2007","63","1","o29","o32","10.1107/S0108270106050335","","","0.71073","MoKα","","0.1239","0.0591","","","0.0972","0.1132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015754","24.76","0.02","8.59","0.01","11.55","0.01","90","","107.11","0.03","90","","2348","4","296.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^O:O')disilver(I)(Ag—Ag)]- μ~2~-di-2-pyridylamine-κ^2^N^2^:N^2'^]","","- C26 H23 Ag2 N3 O4 -","- C26 H23 Ag2 N3 O4 -","- C104 H92 Ag8 N12 O16 -","4","0.5","RB3021","Odoko, Mamiko; Ise, Tomoyasu; Okabe, Nobuo","<i>catena</i>-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~2~-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^] and <i>catena</i>-poly[[(di-2-pyridylamine-κ<i>N</i>^2^)(μ~2~-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~3~-4-nitrobenzoato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2007","63","1","m22","m26","10.1107/S010827010605102X","","","0.7107","MoKα","","","0.0306","","","","0.0578","","","","","","0.802","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015755","7.259","0.008","11.07","0.01","15.38","0.02","82.66","0.05","84.84","0.04","72.01","0.04","1164","2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[(di-2-pyridylamine-κN^2^)(μ~2~-4-nitrobenzoato- κ^2^O:O')disilver(I)(Ag—Ag)]-μ~3~-4-nitrobenzoato-κ^3^O:O':O']","","- C24 H17 Ag2 N5 O8 -","- C24 H17 Ag2 N5 O8 -","- C48 H34 Ag4 N10 O16 -","2","1","RB3021","Odoko, Mamiko; Ise, Tomoyasu; Okabe, Nobuo","<i>catena</i>-Poly[[bis(μ~2~-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~2~-di-2-pyridylamine-κ^2^<i>N</i>^2^:<i>N</i>^2'^] and <i>catena</i>-poly[[(di-2-pyridylamine-κ<i>N</i>^2^)(μ~2~-4-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')disilver(I)(<i>Ag{—</i>Ag})]-μ~3~-4-nitrobenzoato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>']","Acta Crystallographica Section C","2007","63","1","m22","m26","10.1107/S010827010605102X","","","0.7107","MoKα","","","0.0327","","","","0.0882","","","","","","1.009","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015756","10.9891","0.0011","11.4986","0.0011","14.8928","0.0015","82.308","0.002","83.418","0.002","66","0.002","1699.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(μ- ferrocenecarboxylato)trimanganese(II)]","","- C76 H66 Fe6 Mn3 N2 O14 -","- C76 H66 Fe6 Mn3 N2 O14 -","- C76 H66 Fe6 Mn3 N2 O14 -","1","0.5","SF3022","Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong","Poly[diaqua(μ-4,4'-bipyridine)tetrakis(μ-ferrocenecarboxylato)bis(ferrocenecarboxylato)trimanganese(II)]","Acta Crystallographica Section C","2007","63","1","m4","m6","10.1107/S0108270106047196","","","0.71073","MoKα","","0.0666","0.0399","","","0.0867","0.1023","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015757","6.0243","0.0002","7.5022","0.0003","15.9717","0.0008","90","","90","","90","","721.85","0.05","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0344","0.0287","","0.0688","0.0671","0.0688","","","","","","1.0049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015758","6.0177","0.0002","6.4672","0.0002","18.0218","0.0007","90","","90","","90","","701.37","0.04","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0304","0.0272","","0.0661","0.0647","0.0661","","","","","","1.0288","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015759","10.8271","0.0002","10.8271","0.0002","19.9208","0.0003","90","","90","","90","","2335.24","0.07","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","7-Amino-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","SK3071","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","7-Amino-2-<i>tert</i>-butyl-5-methylpyrazolo[1,5-<i>a</i>]pyrimidine: a three-dimensional framework structure built from two N—H···N hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o26","o28","10.1107/S0108270106044817","","","0.71073","MoKα","","0.0429","0.0349","","","0.0872","0.0912","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015760","6.3212","0.0005","9.4121","0.0011","10.2496","0.0012","90.311","0.005","94.183","0.007","92.946","0.007","607.35","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 5-amino-1-(4-cyanophenyl)-1H-imidazole-4-carboxylate","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C26 H24 N8 O4 -","2","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.1098","0.0602","","","0.1261","0.1468","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015761","13.1153","0.0006","8.7114","0.0004","11.5273","0.0004","90","","107.064","0.003","90","","1259.05","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-amino-1-(4-chlorophenyl)-1H-imidazole-4-carboxylate","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.0645","0.0467","","","0.1143","0.1261","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015762","7.9045","0.0004","12.995","0.0007","11.7737","0.0005","90","","98.81","0.004","90","","1195.11","0.1","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","ethyl 5-amino-1-(2,6-difluorophenyl)-1H-imidazole-4-carboxylate","","- C12 H11 F2 N3 O2 -","- C12 H11 F2 N3 O2 -","- C48 H44 F8 N12 O8 -","4","1","SK3077","Costa, Marilia S.; Boechat, Nubia; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","Three ethyl 5-amino-1-aryl-1<i>H</i>-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section C","2007","63","1","o33","o37","10.1107/S0108270106048402","","","0.71073","MoKα","","0.0455","0.0343","","","0.0745","0.0802","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015763","13.3271","0.0005","12.7054","0.0005","15.7748","0.0006","90","","90","","90","","2671.09","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","SK3078","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K: sheets built from O—H···O, O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o42","o44","10.1107/S0108270106050451","","","0.71073","MoKα","","0.0937","0.0532","","","0.1295","0.1552","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015764","5.9233","0.0003","8.8858","0.0006","11.7819","0.0006","85.69","0.004","83.5","0.004","84.015","0.003","611.51","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C24 H24 N8 O8 -","2","1","SQ3044","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2007","63","1","o38","o41","10.1107/S0108270106044611","","","0.71073","MoKα","","0.0677","0.0463","","","0.1164","0.1275","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015765","8.3646","0.0003","11.5735","0.0006","12.7953","0.0007","88.328","0.003","88.526","0.003","75.362","0.003","1197.75","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","SQ3044","Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1<i>H</i>-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2007","63","1","o38","o41","10.1107/S0108270106044611","","","0.71073","MoKα","","0.0996","0.0684","","","0.1619","0.1731","","","","","","1.197","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015766","9.9601","0.0014","9.0436","0.0013","20.708","0.003","90","","94.659","0.003","90","","1859.1","0.5","297","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 2-cyano-2-(trimethylphosphonio)ethenoate","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","SQ3045","Fernando Castañeda; Clifford A. Bunton; Ricardo Baggio; María Teresa Garland","Cyano-stabilized triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","1","o65","o67","10.1107/S0108270106051201","","","0.71073","MoKα","","0.0939","0.0646","","","0.1367","0.15","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015767","10.1144","0.0011","8.9938","0.001","19.968","0.002","90","","91.744","0.002","90","","1815.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-cyano-1-(trimethylphosphonio)prop-1-en-2-olate","","- C22 H18 N O P -","- C22 H18 N O P -","- C88 H72 N4 O4 P4 -","4","1","SQ3045","Fernando Castañeda; Clifford A. Bunton; Ricardo Baggio; María Teresa Garland","Cyano-stabilized triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","1","o65","o67","10.1107/S0108270106051201","","","0.71073","MoKα","","0.0698","0.0537","","","0.1321","0.1434","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015768","18.999","0.004","3.841","0.0008","41.69","0.008","90","","122.96","0.03","90","","2552.7","1.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chlorobenzonitrile","","- C7 H4 Cl N -","- C7 H4 Cl N -","- C112 H64 Cl16 N16 -","16","4","SQ3046","Britton, Doyle","<i>o</i>-Chloro- and <i>o</i>-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing","Acta Crystallographica Section C","2007","63","1","o14","o16","10.1107/S0108270106048451","","","0.71073","MoKα","","0.08","0.048","","","0.093","0.102","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015769","3.9247","0.001","10.348","0.003","16.387","0.004","90","","95.011","0.004","90","","663","0.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","SQ3046","Britton, Doyle","<i>o</i>-Chloro- and <i>o</i>-bromobenzonitrile: pseudosymmetry and pseudo-isostructural packing","Acta Crystallographica Section C","2007","63","1","o14","o16","10.1107/S0108270106048451","","","0.71073","MoKα","","0.029","0.022","","","0.048","0.051","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015770","17.48","0.004","11.114","0.002","29.698","0.006","90","","93.894","0.008","90","","5756","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-(fluorene-9,9-diyl)diphenol‒6-methyl-2H-pyridone (1/2)","","- C37 H32 N2 O4 -","- C37 H32 N2 O4 -","- C296 H256 N16 O32 -","8","1","AV3045","Lavy, T.; Meirovich, N.; Sparkes, H. A.; Howard, J. A. K.; Kaftory, M.","Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2<i>H</i>-pyridone","Acta Crystallographica Section C","2007","63","2","o89","o92","10.1107/S010827010604474X","","","0.71073","MoKα","","0.0689","0.0481","","","0.1339","0.1473","","","","","","1.163","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015771","14.432","0.004","14.665","0.005","35.675","0.01","90","","90.133","0.014","90","","7550","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-(fluorene-9,9-diyl)diphenol‒6-methyl-2H-pyridone‒water (1/3/3)","","- C43 H45 N3 O8 -","- C43 H45 N3 O8 -","- C344 H360 N24 O64 -","8","1","AV3045","Lavy, T.; Meirovich, N.; Sparkes, H. A.; Howard, J. A. K.; Kaftory, M.","Cocrystals composed of 4,4'-(fluorene-9,9-diyl)diphenol and 6-methyl-2<i>H</i>-pyridone","Acta Crystallographica Section C","2007","63","2","o89","o92","10.1107/S010827010604474X","","","0.71073","MoKα","","0.0755","0.0551","","","0.1078","0.1132","","","","","","1.277","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015772","6.1882","0.0006","15.935","0.0015","17.2295","0.0016","90","","90","","90","","1699","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(5-tert-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","AV3047","Sun, Xu-Xia; Qi, Chuan-Min; Huang, Hai-Bo; Ma, Shu-Lan","1-[(5-<i>tert</i>-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","Acta Crystallographica Section C","2007","63","2","o87","o88","10.1107/S0108270106051511","","","0.71073","MoKα","","0.039","0.032","","","0.0855","0.0891","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015773","8.6343","0.0014","8.7713","0.0014","11.2379","0.0015","110.158","0.013","98.428","0.012","100.631","0.014","764.6","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-Butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C26 H42 N6 O12 -","2","1","AV3051","Ejsmont, Krzysztof; Gajda, Roman; Makowski, Maciej","Conformation of <i>tert</i>-butoxycarbonylglycyl-dehydroalanyl-glycine methyl ester in the crystalline state and calculated in the gas phase","Acta Crystallographica Section C","2007","63","2","o80","o83","10.1107/S0108270106052590","","","0.71073","MoKα","","0.0337","0.0305","","","0.0803","0.0824","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015774","9.533","0.0005","36.635","0.002","10.0344","0.0006","90","","95.479","0.001","90","","3488.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromobis[2-(dimethylamino)methyl]tin(IV) tetrabromo[2-(dimethylamino)methyl]tin(IV)","","- C27 H37 Br6 N3 Sn2 -","- C27 H37 Br6 N3 Sn2 -","- C108 H148 Br24 N12 Sn8 -","4","1","AV3053","Varga, Richard A.; Silvestru, Cristian","Hydrogen bonding in dibromo[2-(dimethylaminomethyl)phenyl][2-(dimethylammoniomethyl)phenyl]tin(IV) tetrabromo[2-(dimethylaminomethyl)phenyl]tin(IV)","Acta Crystallographica Section C","2007","63","2","m48","m50","10.1107/S010827010605150X","","","0.71073","MoKα","","0.0663","0.0534","","","0.117","0.1221","","","","","","1.111","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015775","18.769","0.004","42.406","0.009","7.217","0.0014","90","","90","","90","","5744","2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ- acetylenedicarboxylato-κ^3^O,O'O''] monohydrate]","","- C14 H12 Mn N2 O6 -","- C14 H12 Mn N2 O6 -","- C224 H192 Mn16 N32 O96 -","16","1","AV3056","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ~3~-acetylenedicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''] monohydrate]","Acta Crystallographica Section C","2007","63","2","m65","m67","10.1107/S0108270106056022","","","0.71073","MoKα","","0.021","0.0192","","","0.0473","0.0487","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015776","12.651","0.001","21.071","0.005","9.262","0.001","90","","106.09","0.01","90","","2372.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[N,N-Bis(2-pyridylmethyl)aminomethyl]-6-[N-(2-hydroxyanilino)methyl]- 4-methylphenol","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C108 H112 N16 O8 -","4","1","BM3018","Bortoluzzi, Adailton J.; Neves, Ademir; Rey, Nicolas A.","2-{[Bis(2-pyridylmethyl)amino]methyl}-6-[(2-hydroxyanilino)methyl]-4-methylphenol: a novel binucleating asymmetric ligand as a precursor to synthetic models for metalloenzymes","Acta Crystallographica Section C","2007","63","2","o84","o86","10.1107/S0108270106050517","","","0.71073","MoKα","","0.151","0.0531","","","0.121","0.155","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015777","12.527","0.001","12.606","0.001","13.3233","0.0011","94.945","0.001","94.621","0.001","108.295","0.001","1977.2","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","bis(μ 1,1-dimethylguanidinato)bis[(2,2'-bipyridine)platinum(II)](Pt—Pt) bis(hexafluorophosphate) bis(acetonitrile)","","- C30 H38 F12 N12 P2 Pt2 -","- C30 H38 F12 N12 P2 Pt2 -","- C60 H76 F24 N24 P4 Pt4 -","2","1","BM3021","Sakai, Ken; Yokokawa, Kazuo; Yokoyama, Yoshimi","Pt~2~^II^ and Pt~2~^III^ dimers containing a Pt~2~(2,2'-bipyridine)~2~(μ-<i>N</i>,<i>N</i>-dimethylguanidinato)~2~ unit","Acta Crystallographica Section C","2007","63","2","m36","m41","10.1107/S0108270106053601","","","0.71073","MoKα","","0.0806","0.0612","","","0.1452","0.1541","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015778","12.6189","0.0006","28.9553","0.0014","14.4197","0.0007","90","","114.712","0.001","90","","4786.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-N,N-dimethylguanidinato)bis[(2,2'- bipyridine)sulfatoplatinum(III)](Pt—Pt) guanidinium nitrate hexahydrate","","- C29 H54 N14 O17 Pt2 S2 -","- C29 H42 N14 O17 Pt2 S2 -","- C116 H168 N56 O68 Pt8 S8 -","4","1","BM3021","Sakai, Ken; Yokokawa, Kazuo; Yokoyama, Yoshimi","Pt~2~^II^ and Pt~2~^III^ dimers containing a Pt~2~(2,2'-bipyridine)~2~(μ-<i>N</i>,<i>N</i>-dimethylguanidinato)~2~ unit","Acta Crystallographica Section C","2007","63","2","m36","m41","10.1107/S0108270106053601","","","0.71073","MoKα","","0.0843","0.041","","","0.1027","0.1136","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015779","9.6949","0.0002","10.4915","0.0002","16.9001","0.0002","97.645","0.001","101.458","0.001","113.215","0.001","1505.09","0.05","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","[(Acetato-κ^2^O,O')(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ-acetato- κ^2^O:O'-[(acetato-κO)(di-2-pyridylamine-κ^2^N^2^,N^2'^)(isothiocyanato- κN)copper(II)]","","- C27 H27 Cu2 N7 O6 S -","- C27 H27 Cu2 N7 O6 S -","- C54 H54 Cu4 N14 O12 S2 -","2","1","DN3030","Youngme, Sujittra; Chotkhun, Thidarat; Chaichit, Narongsak","μ-Acetato-1:2κ^2^<i>O</i>:<i>O</i>'-diacetato-1κ^2^<i>O</i>,<i>O</i>';2κ<i>O</i>-bis(di-2-pyridylamine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-isothiocyanato-2κ<i>N</i>-dicopper(II)","Acta Crystallographica Section C","2007","63","2","m59","m61","10.1107/S0108270106054163","","","0.71073","MoKα","","0.0501","0.0375","","","0.0879","0.0989","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015780","7.3964","0.0004","10.8144","0.0007","14.08","0.0011","90","","90","","90","","1126.23","0.13","110","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bipyridine-κN)dioxouranium(VI)]-di-μ-hydroxo]","","- C10 H10 N2 O4 U -","- C10 H10 N2 O4 U -","- C40 H40 N8 O16 U4 -","4","1","DN3033","Thuéry, Pierre","π-Stacking and hydrogen bonding in <i>catena</i>-poly[[(4,4'-bipyridine-κ<i>N</i>)dioxouranium(VI)]-di-μ-hydroxo]","Acta Crystallographica Section C","2007","63","2","m54","m56","10.1107/S0108270106054412","","","0.71073","MoKα","","0.0387","0.0331","","","0.0833","0.0857","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015781","10.3728","0.0002","17.1008","0.0004","12.9444","0.0003","90","","111.041","0.001","90","","2143.02","0.08","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate","","- C26 H21 N O3 S -","- C26 H21 N O3 S -","- C104 H84 N4 O12 S4 -","4","1","DN3034","J. Suresh; R. Suresh Kumar; S. Perumal; A. Mostad; S. Natarajan","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate and ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3-carboxylate: supramolecular aggregation through C—H···O, C—H···F and C—H···π interactions","Acta Crystallographica Section C","2007","63","2","o141","o144","10.1107/S0108270107000224","","","0.71073","MoKα","","0.0439","0.0402","","","0.1085","0.1119","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015782","12.092","0.001","10.489","0.001","18.496","0.002","90","","94.78","0.01","90","","2337.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3- carboxylate","","- C27 H21 F2 N O3 S -","- C27 H21 F2 N O3 S -","- C108 H84 F8 N4 O12 S4 -","4","1","DN3034","J. Suresh; R. Suresh Kumar; S. Perumal; A. Mostad; S. Natarajan","Ethyl 4-hydroxy-2,6-diphenyl-5-(phenylsulfanyl)pyridine-3-carboxylate and ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-(4-methylphenylsulfanyl)pyridine-3-carboxylate: supramolecular aggregation through C—H···O, C—H···F and C—H···π interactions","Acta Crystallographica Section C","2007","63","2","o141","o144","10.1107/S0108270107000224","","","0.71073","MoKα","","0.0778","0.0425","","","0.1104","0.128","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015783","9.466","0.001","21.025","0.003","14.643","0.002","90","","98.67","0.002","90","","2881","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rare earth MOCVD precursor","Tris(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')erbium(III)","","- C27 H29 Er N2 O6 -","- C27 H29 Er N2 O6 -","- C108 H116 Er4 N8 O24 -","4","1","DN3035","Neelgund, Gururaj M.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)","Acta Crystallographica Section C","2007","63","2","m74","m76","10.1107/S0108270107000248","","","0.71073","MoKα","","0.0541","0.041","","","0.094","0.0979","","","","","","1.256","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015784","3.821","0.001","11.725","0.002","15.118","0.003","90","","96.55","0.03","90","","672.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ortho-chloronitrobenzene","1-chloro,2-nitrobenzene","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","EM1004","Mossakowska, Izabella; Wójcik, Grażyna","1-Chloro-2-nitrobenzene: N—O···Cl halogen bonds and aromatic π‒π stacking, and thermal vibrations in the vicinity of the melting point","Acta Crystallographica Section C","2007","63","2","o123","o125","10.1107/S0108270106048797","","","0.71073","MoKα","","0.0867","0.0747","","","0.1909","0.2048","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015785","13.0702","0.0008","21.8905","0.0016","7.7957","0.0005","90","","90","","90","","2230.5","0.3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3,4-di-2-pyridyl-1,2,5-oxadiazole","","- C12 H8 N4 O -","- C12 H8 N4 O -","- C96 H64 N32 O8 -","8","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1392","0.065","","","0.0716","0.0828","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015786","13.5254","0.0004","13.1646","0.0004","7.6908","0.0002","90","","90","","90","","1369.4","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-[3-(2-pyridyl)-1,2,5-oxadiazol-4-yl]pyridinium perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","0.5","FA3049","Liu, Na; Cheng, Ai-Ling; Gao, En-Qing","3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt","Acta Crystallographica Section C","2007","63","2","o93","o95","10.1107/S0108270106052401","","","0.71073","MoKα","","0.1105","0.0637","","","0.1976","0.2213","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015787","5.5515","0.0008","12.6547","0.0012","17.0171","0.0019","90","","90","","90","","1195.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2'-Deoxy-2-fluorotubercidin","7-(2-deoxy-β-D-erythro-pentofuranosyl)- 2-fluoro-7H-pyrrolo[2,3-d]pyrimidin-2-amine","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","FA3053","Seela, Frank; Peng , Xiaohua; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-2-fluorotubercidin","Acta Crystallographica Section C","2007","63","2","o96","o98","10.1107/S0108270106053704","","","0.71073","MoKα","","0.0506","0.0418","","","0.1088","0.1149","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015788","8.1272","0.0006","10.0646","0.0008","18.2504","0.0014","90","","90","","90","","1492.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S)-trans-4-ethylammonio-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran- 2-sulfonamide 7,7-dioxide chloride","","- C10 H17 Cl N2 O4 S3 -","- C10 H17 Cl N2 O4 S3 -","- C40 H68 Cl4 N8 O16 S12 -","4","1","GA3036","Krishnan Ravikumar; Balasubramanian Sridhar","Dorzolamide hydrochloride: an antiglaucoma agent","Acta Crystallographica Section C","2007","63","2","o108","o110","10.1107/S0108270106055338","","","0.71073","MoKα","","0.0247","0.0242","","","0.0641","0.0645","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015789","6.2168","0.001","9.7823","0.001","14.0973","0.0007","98.977","0.003","101.16","0.002","93.697","0.007","826.83","0.16","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(4-bromophenyldiazenyl)-2,6-dimethylphenyl acrylate","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C34 H30 Br2 N4 O4 -","2","1","GD3067","Kocaokutgen, Hasan; Ibrahim Uçar; Gür, Mahmut; Özkınalı, Sevil; Büyükgüngör, Orhan","(<i>E</i>)-4-(4-Bromophenyldiazenyl)-2,6-dimethylphenyl acrylate and (<i>E</i>)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","Acta Crystallographica Section C","2007","63","2","o111","o113","10.1107/S0108270106054369","","","0.71073","MoKα","","0.0683","0.0413","","","0.0968","0.1089","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015790","6.1589","0.0008","11.2603","0.0015","12.3461","0.0016","82.78","0.011","80.07","0.011","85.321","0.011","835.13","0.19","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","(E)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","GD3067","Kocaokutgen, Hasan; Ibrahim Uçar; Gür, Mahmut; Özkınalı, Sevil; Büyükgüngör, Orhan","(<i>E</i>)-4-(4-Bromophenyldiazenyl)-2,6-dimethylphenyl acrylate and (<i>E</i>)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate","Acta Crystallographica Section C","2007","63","2","o111","o113","10.1107/S0108270106054369","","","0.71073","MoKα","","0.1549","0.0835","","","0.1847","0.2162","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015791","9.83","0.002","12.364","0.003","11.56","0.003","90","","103.09","0.03","90","","1368.5","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate methanol solvate","","- C31 H35 N3 O9 -","- C31 H35 N3 O9 -","- C62 H70 N6 O18 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0704","0.0551","","","0.121","0.1303","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015792","10.085","0.002","12.338","0.003","11.615","0.003","90","","108.61","0.03","90","","1369.7","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium 4-nitrobenzoate dihydrate","","- C30 H35 N3 O10 -","- C30 H35 N3 O10 -","- C60 H70 N6 O20 -","2","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.0327","0.03","","","0.0766","0.0781","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015793","8.075","0.002","12.464","0.002","29.994","0.003","90","","90","","90","","3018.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 4-nitrobenzoate 2.6 hydrate","","- C30 H36.2 N3 O10.6 -","- C30 H34.6 N3 O10.6 -","- C120 H138.4 N12 O42.4 -","4","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.1163","0.0882","","","0.2387","0.2613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015794","5.64","0.001","8.768","0.002","10.704","0.002","90","","92.49","0.03","90","","528.83","0.18","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-leucine perchlorate","L-Leucinium perchlorate","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","GD3071","Jan Janczak; Genivaldo Julio Perpétuo","<small>L</small>-Leucinium perchlorate","Acta Crystallographica Section C","2007","63","2","o117","o119","10.1107/S0108270106055156","","","0.71073","MoKα","","0.057","0.0422","","","0.098","0.1068","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015795","7.9355","0.0003","24.7376","0.0009","11.1332","0.0005","90","","106.589","0.002","90","","2094.54","0.15","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-(+)-3-[5-cyano-2-(4-fluorophenyl)-1,3-dihydroisobenzofuran-2- yl]propanaminium oxalate oxalic acid 0.325-hydrate","","- C44 H46 F2 N4 O10.325 -","- C44 H46 F2 N4 O10.325 -","- C88 H92 F4 N8 O20.65 -","2","1","GD3075","Harrison, William T. A.; Yathirajan, H. S.; Bindya, S.; Anilkumar, H. G.; Devaraju","Escitalopram oxalate: co-existence of oxalate dianions and oxalic acid molecules in the same crystal","Acta Crystallographica Section C","2007","63","2","o129","o131","10.1107/S010827010605520X","","","0.71073","MoKα","","0.0751","0.0422","","","0.0825","0.0949","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015796","40.0004","0.0007","8.8672","0.0001","16.9706","0.0004","90","","111.062","0.0008","90","","5617.17","0.18","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2-methylquinoline-8-selenolato-κ^2^N,Se)antimony(III)","","- C30 H24 N3 Sb Se3 -","- C30 H24 N3 Sb Se3 -","- C240 H192 N24 Sb8 Se24 -","8","1","GG3054","Silina, Elga; Belyakov, Sergey; Ashaks, Janis; Pecha, Lucija; Zaruma, Daina","Tris(2-methylquinoline-8-selenolato-κ^2^<i>N</i>,<i>Se</i>)antimony(III)","Acta Crystallographica Section C","2007","63","2","m62","m64","10.1107/S0108270106053285","","","0.71073","MoKα","","0.1043","0.0486","","","0.1224","0.17","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015797","8.3321","0.0002","18.3668","0.0004","10.8568","0.0002","90","","94.45","0.002","90","","1656.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0398","0.0347","","","0.083","0.0858","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015798","14.223","0.0007","7.9862","0.0004","14.1156","0.0007","90","","93.908","0.003","90","","1599.63","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-nitrobenzyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one","","- C16 H13 N3 O5 S -","- C16 H13 N3 O5 S -","- C64 H52 N12 O20 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.1528","0.1215","","","0.4013","0.4375","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015799","4.6687","0.0004","9.621","0.0008","35.478","0.003","90","","95.335","0.003","90","","1586.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0786","0.061","","","0.2076","0.2389","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015800","22.3","0.0004","9.9352","0.0003","14.6945","0.0004","90","","96.435","0.002","90","","3235.13","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(2-nitrobenzyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C16 H13 N3 O5 S -","- C16 H13 N3 O5 S -","- C128 H104 N24 O40 S8 -","8","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0523","0.0362","","","0.088","0.0956","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015801","13.9981","0.0006","10.1236","0.0003","10.1491","0.0004","90","","106.333","0.002","90","","1380.2","0.09","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-fluorobenzyl)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one","","- C16 H13 F2 N O S -","- C16 H13 F2 N O S -","- C64 H52 F8 N4 O4 S4 -","4","1","GG3061","Cunico, Wilson; Capri, Liliane R.; Gomez, C. R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Five symmetrically substituted 2-aryl-3-benzyl-1,3-thiazolidin-4-ones: supramolecular structures in zero, one and two dimensions","Acta Crystallographica Section C","2007","63","2","o102","o107","10.1107/S0108270106055272","","","0.71073","MoKα","","0.0736","0.0592","","","0.1378","0.1452","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015802","10.1044","0.0003","11.7533","0.0005","12.1655","0.0005","117.232","0.002","97.48","0.003","99.585","0.002","1231.11","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","2","GG3063","Cuervo, Paola; Abonía, Rodrigo; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-pyridyl)prop-2-en-1-one crystallizes with <i>Z</i>' = 2: hydrogen-bonded supramolecular substructures in one and two dimensions, each containing only one type of molecule","Acta Crystallographica Section C","2007","63","2","o99","o101","10.1107/S0108270106055545","","","0.71073","MoKα","","0.1079","0.0589","","","0.1453","0.1689","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015803","7.7358","0.0003","9.4543","0.0005","29.9093","0.0013","90","","90","","90","","2187.46","0.17","295","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","gold(III) tetrachloride salt of L-cocaine complex","(1R,2R,3S,5S,8S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate tetrachlorogold(III)","","- C17 H22 Au Cl4 N O4 -","- C17 H22 Au Cl4 N O4 -","- C68 H88 Au4 Cl16 N4 O16 -","4","1","GZ3036","Wood, Matthew R.; Brettell, Thomas A.; Lalancette, Roger A.","The gold(III) tetrachloride salt of <small>L</small>-cocaine","Acta Crystallographica Section C","2007","63","2","m33","m35","10.1107/S0108270106053108","","","1.54178","CuKα","","0.029","0.028","","","0.07","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015804","8.5473","0.001","6.2423","0.0007","9.1325","0.0011","90","","114.701","0.004","90","","442.68","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","β-Erythrocytidine","1-(β-D-Erythrofuranosyl)cytidine","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","GZ3050","Kline, Paul C.; Noll, Bruce C.; Zhao, Hongqiu; Serianni, Anthony S.","1-(β-<small>D</small>-Erythrofuranosyl)cytidine (β-erythrocytidine)","Acta Crystallographica Section C","2007","63","2","o137","o140","10.1107/S0108270106055053","","","1.54178","CuKα","","0.029","0.0278","","","0.0709","0.0756","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015805","5.699","0.001","7.428","0.001","20.053","0.002","90","","93.384","0.007","90","","847.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NDSB-201","3-(1-Pyridinio)propanesulfonate","","- C8 H11 N O3 S -","- C8 H11 N O3 S -","- C32 H44 N4 O12 S4 -","4","1","GZ3054","Katarzyna D. Koclega; Maksymilian Chruszcz; Anna Gawlicka-Chruszcz; Marcin Cymborowski; Wladek Minor","3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate","Acta Crystallographica Section C","2007","63","2","o114","o116","10.1107/S0108270106054692","","","1.54179","CuKα","","0.0301","0.03","","","0.082","0.0821","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015806","12.628","0.001","11.209","0.001","9.982","0.001","90","","107.26","0.004","90","","1349.3","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NDSB-256","3-(benzyldimethylammonio)propanesulfonate monohydrate","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","GZ3054","Katarzyna D. Koclega; Maksymilian Chruszcz; Anna Gawlicka-Chruszcz; Marcin Cymborowski; Wladek Minor","3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate","Acta Crystallographica Section C","2007","63","2","o114","o116","10.1107/S0108270106054692","","","1.54179","CuKα","","0.0421","0.0385","","","0.1002","0.1015","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015807","8.9511","0.0006","24.128","0.002","12.6581","0.0009","90","","94.806","0.008","90","","2724.2","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TrpyPdOAc^F^","Trifluoracetato-(1,3,12,14-tetramethyl-2,7,8,13- tetraethyltripyrrinato)palladium(II)","","- C28 H34 F3 N3 O2 Pd -","- C28 H34 F3 N3 O2 Pd -","- C112 H136 F12 N12 O8 Pd4 -","4","1","GZ3060","Bröring, Martin; Prikhodovski, Serguei; Köhler, Silke","(3,8,9,14-Tetraethyl-2,4,13,15-tetramethyltripyrrinato)(trifluoroacetato)palladium(II)","Acta Crystallographica Section C","2007","63","2","m68","m70","10.1107/S010827010605579X","","","0.71073","MoKα","","0.0525","0.0392","","","0.0998","0.1032","","","","","","1.185","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015808","7.6217","0.0006","15.8538","0.0013","16.3696","0.0012","90","","90","","90","","1978","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mesitylnitramine","2,4,6-trimethyl-N-nitroaniline","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","HJ3024","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,4,6-Trimethyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2007","63","2","o126","o128","10.1107/S0108270106055776","","","0.71073","MoKα","","0.1296","0.0462","","","0.1107","0.1417","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015809","10.8631","0.0009","5.3684","0.0005","24.661","0.002","90","","97.833","0.007","90","","1424.7","0.2","90","0.1","90","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-Methyl-3-phenyldiazenyl-9H-carbazole","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","HJ3027","Kyzioł, Janusz B.; Ejsmont, Krzysztof","9-Methyl-3-phenyldiazenyl-9<i>H</i>-carbazole: X-ray and DFT-calculated structures","Acta Crystallographica Section C","2007","63","2","o77","o79","10.1107/S0108270106053571","","","0.71073","MoKα","","0.0832","0.0335","","","0.0536","0.0575","","","","","","0.84","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015810","9.688","0.002","7.7579","0.0017","10.219","0.004","90","","102.684","0.019","90","","749.3","0.4","122","1","122","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Vanadyltriflate","Pentaaquaoxovanadium(IV) trifluoromethanesulfonate","","- C2 H10 F6 O12 S2 V -","- C2 H10 F6 O12 S2 V -","- C4 H20 F12 O24 S4 V2 -","2","0.5","IZ3014","Magnussen, Magnus; Brock-Nannestad, Theis; Bendix, Jesper","Pentaaquaoxovanadium(IV) bis(trifluoromethanesulfonate)","Acta Crystallographica Section C","2007","63","2","m51","m53","10.1107/S010827010605219X","","","0.71073","MoKα","","0.0434","0.0379","","","0.0986","0.1039","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015811","15.7776","0.0019","17.191","0.002","25.513","0.003","90","","93.914","0.003","90","","6903.8","1.4","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}- 4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate","","- C29 H38 F6 N4 Ni2 O7.5 P -","- C29 H38 F6 N4 Ni2 O7.5 P -","- C232 H304 F48 N32 Ni16 O60 P8 -","8","2","LN3026","Chen, Jing-Wen; Liu, Bin; Chen, Xiao-Qing; Li, Yi-Zhi","Bis(μ-acetato)(μ-2,6-bis{[(2-hydroxyethyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)dinickel(II) hexafluorophosphate hemihydrate","Acta Crystallographica Section C","2007","63","2","m42","m44","10.1107/S0108270106053480","","","0.71073","MoKα","","0.0989","0.0601","","","0.0945","0.1018","","","","","","1.103","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015812","11.3575","0.0007","11.6949","0.0007","13.8332","0.0008","101.753","0.001","107.337","0.001","108.916","0.001","1564.77","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","tetra-μ~2~-acetato-diaquadi-μ~2~-chloro-tetrachlorotetrakis[μ~4~- 3-hydroxy-2,2-bis(oxidomethyl)propanolato]tetramethanoldi-μ~5~-oxo- octamanganese(II)tetramanganese(III), [Mn^III^~4~Mn^II^~8~Cl~6~O~2~(CH~3~O)~2~(C~2~H~3~O~2~)~4~(C~3~H~5~O~4~)~4~\ (CH~4~MeO)~4~(H~2~O)~2~]","","- C34 H74 Cl6 Mn12 O34 -","- C34 H74 Cl6 Mn12 O34 -","- C34 H74 Cl6 Mn12 O34 -","1","0.5","SF3024","Mukherjee, Arindam; Boskovic, Colette; Gable, Robert W.","A dodecanuclear manganese(II,III) complex of pentaerythritol","Acta Crystallographica Section C","2007","63","2","m71","m73","10.1107/S010827010700042X","","","0.71073","MoKα","","0.031","0.0284","","","0.0791","0.0807","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015813","14.1074","0.0008","8.5839","0.0005","19.4144","0.0011","90","","95.635","0.001","90","","2339.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Azido-κN)bis(di-2-pyridylamine)copper(II) hexafluorophosphate","","- C20 H18 Cu F6 N9 P -","- C20 H18 Cu F6 N9 P -","- C80 H72 Cu4 F24 N36 P4 -","4","1","SF3027","Youngme, Sujittra; Phatchimkun, Jaturong; Pakawatchai, Chaveng; Prabpai, Samran; Kongsaeree, Palangpon","(Azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) hexafluorophosphate and (azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","Acta Crystallographica Section C","2007","63","2","m45","m47","10.1107/S0108270106052693","","","0.71073","MoKα","","0.0594","0.0432","","","0.1027","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015814","7.056","0.0002","27.836","0.0013","12.878","0.0006","90","","99.009","0.002","90","","2498.18","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(azido-κN)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","SF3027","Youngme, Sujittra; Phatchimkun, Jaturong; Pakawatchai, Chaveng; Prabpai, Samran; Kongsaeree, Palangpon","(Azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) hexafluorophosphate and (azido-κ<i>N</i>)bis(di-2-pyridylamine)copper(II) chloride tetrahydrate","Acta Crystallographica Section C","2007","63","2","m45","m47","10.1107/S0108270106052693","","","0.71073","MoKα","","0.0673","0.0455","","","0.1248","0.1473","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015815","31.385","0.002","12.4151","0.0007","16.5874","0.0011","90","","100.246","0.006","90","","6360.2","0.7","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acetonitrile){2,6-bis[1-(2-ethyl-6- methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate","","- C29.5 H35 Cl3 N4 Ru -","- C29.5 H35 Cl3 N4 Ru -","- C236 H280 Cl24 N32 Ru8 -","8","1","SK3081","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(Acetonitrile){2,6-bis[1-(2-ethyl-6-methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate: a chain of edge-fused <i>R</i>~6~^6^(24) rings","Acta Crystallographica Section C","2007","63","2","m77","m80","10.1107/S0108270107001266","","","0.71073","MoKα","","0.0915","0.0529","","","0.1458","0.1592","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015816","9.356","0.0001","9.4049","0.0001","11.1174","0.0002","90.1103","0.0005","104.308","0.0005","106.125","0.0006","907.99","0.02","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","(Z)-2-(1-Benzyl-5-nitro-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C46 H42 N6 O6 -","2","1","SK3086","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Benzyl-5-nitro-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2007","63","2","o135","o136","10.1107/S0108270106055971","","","0.71073","MoKα","","0.0519","0.0399","","","0.0999","0.1071","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015817","9.5068","0.0012","6.5035","0.001","11.4259","0.0016","90","","104.572","0.015","90","","683.71","0.17","293","1","293","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-chloro-μ~2~-1,4-oxathiane-κ^2^S:S-copper(I)]","","- C4 H8 Cl Cu O S -","- C4 H8 Cl Cu O S -","- C16 H32 Cl4 Cu4 O4 S4 -","4","1","SQ3054","Salivon, Natalya F.; Filinchuk, Yaroslav E.; Olijnyk, Volodymyr V.","Poly[μ~2~-chloro-μ~2~-1,4-oxathiane-κ^2^<i>S</i>:<i>S</i>-copper(I)]","Acta Crystallographica Section C","2007","63","2","m57","m58","10.1107/S0108270106054047","","","0.71069","MoKα","","0.0758","0.0337","","","0.0628","0.0699","","","","","","0.765","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015818","7.6865","0.0003","11.0294","0.0008","26.8912","0.0013","90","","90","","90","","2279.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","P,P'-di[3-(trimethylsilyl)-1-propyl] ethylenebisphosphonic acid","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate","","- C14 H36 O6 P2 Si2 -","- C14 H36 O6 P2 Si2 -","- C56 H144 O24 P8 Si8 -","4","0.5","SQ3056","McLauchlan, Craig C.; Ziegler, Amanda J.; Sosnowski, Cyndi R.; Herlinger, Albert W.","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate, H~2~DTMSP[EBP]","Acta Crystallographica Section C","2007","63","2","o132","o134","10.1107/S0108270106055818","","","0.71073","MoKα","","0.0449","0.0327","","","0.0801","0.0869","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015819","3.9788","0.0007","21.203","0.004","3.6583","0.0007","90","","90","","90","","308.62","0.1","295","2","295","2","","","","","","","","3","C m m m","-C 2 2","65","Trimagnesium dinickel diterbium","diterbium dinickel trimagnesium","","- Mg3 Ni2 Tb2 -","- Mg3 Ni2 Tb2 -","- Mg6 Ni4 Tb4 -","2","0.125","SQ3057","Solokha, Pavlo; De Negri, Serena; Saccone, Adriana; Pavlyuk, Volodymyr; Marciniak, Bernard; Tedenac, Jean-Claude","Tb~2~Ni~2~Mg~3~: a new structure type derived from the Ru~3~Al~2~B~2~ type","Acta Crystallographica Section C","2007","63","2","i13","i16","10.1107/S0108270107001503","","","0.71073","MoKα","","0.0352","0.0323","","","0.0764","0.078","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015820","8.8191","0.0014","10.7923","0.0018","9.3793","0.0014","90","","90.631","0.012","90","","892.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ethylenediammonium oxotrithiotungstate(VI)","ethylenediammonium oxotrithiotungstate(VI)","","- C2 H10 N2 O S3 W -","- C2 H10 N2 O S3 W -","- C8 H40 N8 O4 S12 W4 -","4","1","AV3050","Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang","Competing hydrogen-bond acceptors in ethylenediammonium oxotrithiotungstate(VI)","Acta Crystallographica Section C","2007","63","3","m81","m84","10.1107/S0108270106056393","","","0.71073","MoKα","","0.0404","0.0261","","","0.0663","0.0697","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015821","7.355","0.004","7.965","0.004","11.056","0.006","73.827","0.008","83.588","0.007","63.647","0.007","557.4","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(3-carboxy-4-nitrobenzoato-κO)manganese(II) dihydrate","","- C16 H20 Mn N2 O18 -","- C16 H20 Mn N2 O18 -","- C16 H20 Mn N2 O18 -","1","0.5","AV3055","Xiong, Li-Qin; Qi, Chuan-Min; Yu, Hui; Liang, Sheng-Wen","Tetraaquabis(5-carboxy-2-nitrobenzoato-κ<i>O</i>)manganese(II) dihydrate: a metal‒water chain complex containing cyclic water tetramers","Acta Crystallographica Section C","2007","63","3","m117","m119","10.1107/S0108270106056010","","","0.71073","MoKα","","0.0347","0.0296","","","0.08","0.0839","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015822","13.9136","0.0016","10.4852","0.0012","12.3991","0.0014","90","","102.165","0.002","90","","1768.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II) dinitrate:","","- C12 H16 Co N4 O10 -","- C12 H16 Co N4 O10 -","- C48 H64 Co4 N16 O40 -","4","0.5","AV3059","Li, Zhi-Gang; Wang, Guan-Hua; Niu, Jia-Jia; Xu, Jing-Wei; Hu, Ning-Hai","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) dinitrate: a hydrogen-bonded supramolecular network","Acta Crystallographica Section C","2007","63","3","m94","m96","10.1107/S0108270107002314","","","0.71073","MoKα","","0.0315","0.0289","","","0.073","0.075","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015823","6.9692","0.0002","12.3802","0.0005","14.5513","0.0007","90","","90","","90","","1255.49","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","AV3063","Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2007","63","3","o166","o168","10.1107/S0108270107002788","","","0.71073","MoKα","","0.0579","0.0449","","","0.1009","0.1067","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015824","8.3859","0.0014","8.7715","0.0019","10.0402","0.001","80.784","0.013","68.195","0.011","87.373","0.014","676.8","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","bis[μ-1,2-bis(1H-1,2,4-triazol-1-yl)ethane- κ^2^N^4^:N^4'^]bis[diisothiocyanatozinc(II)]","","- C16 H16 N16 S4 Zn2 -","- C16 H16 N16 S4 Zn2 -","- C16 H16 N16 S4 Zn2 -","1","0.5","AV3065","Yu-Mei Zhang; Yu-Ping Zhang; Bao-Long Li; Yong Zhang","A novel dimeric zinc(II) complex: bis[μ-1,2-bis(1<i>H</i>-1,2,4-triazol-1-yl)ethane-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[diisothiocyanatozinc(II)]","Acta Crystallographica Section C","2007","63","3","m120","m122","10.1107/S0108270107005215","","","0.71073","MoKα","","0.0386","0.0324","","","0.0789","0.083","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015825","13.7129","0.0017","7.9403","0.0009","24.862","0.003","90","","101.879","0.005","90","","2649.1","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","potassium 3',4'-ethylenedithio-3-methylamidotetrathiafulvalene(+) tetraisothiocyanatomercury(II)","","- C14 H9 Hg K N5 O S10 -","- C14 H9 Hg K N5 O S10 -","- C56 H36 Hg4 K4 N20 O4 S40 -","4","1","AV3066","Simonov, Sergey; Zorina, Leokadiya; Kushch, Natal'ya; Mézière, Cécile; Batail, Patrick","3-Methylamido-3',4'-ethylenedithiotetrathiafulvalene(+) potassium tetraisothiocyanatomercury(II)","Acta Crystallographica Section C","2007","63","3","m126","m128","10.1107/S0108270107006154","","","0.71073","MoKα","","0.0596","0.0304","","","0.0622","0.0693","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015826","13.0541","0.0011","6.9672","0.0006","34.604","0.003","90","","90","","90","","3147.3","0.5","183","2","183","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E,Z,E)-1-(4-methoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0597","0.0427","","","0.121","0.1359","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015827","18.914","0.009","6.88","0.003","25.927","0.011","90","","90","","90","","3374","3","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E,Z,E)-1-(4-ethoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.1495","0.0638","","","0.1297","0.155","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015828","15.3615","0.0011","6.8341","0.0005","17.6625","0.0012","90","","106.215","0.001","90","","1780.5","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,Z,E)-1-(4-nitrophenyl)-6-(4-n-propoxyphenyl)hexa-1,3,5-triene","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0505","0.0411","","","0.1063","0.1156","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015829","17.0571","0.001","6.7244","0.0004","17.2095","0.001","90","","105.884","0.001","90","","1898.54","0.19","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E,Z,E)-1-(4-n-butoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","AV3067","Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto","Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes","Acta Crystallographica Section C","2007","63","3","o196","o200","10.1107/S0108270107005690","","","0.71073","MoKα","","0.0546","0.0463","","","0.1219","0.1295","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015830","13.914","0.0007","7.50076","0.00017","16.2547","0.0006","90","","98.806","0.002","90","","1676.43","0.11","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0564","0.0411","","","0.1138","0.1237","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015831","13.864","0.0006","7.4755","0.0003","16.208","0.0011","90","","98.821","0.002","90","","1659.93","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0509","0.0392","","","0.1059","0.1136","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015832","13.8385","0.0007","7.4614","0.0003","16.1873","0.0011","90","","98.871","0.002","90","","1651.42","0.16","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0461","0.0367","","","0.0966","0.1027","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015833","13.7961","0.0005","7.44012","0.00017","16.1488","0.0005","90","","98.914","0.003","90","","1637.57","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C60 H84 Al4 O24 -","4","1","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0422","0.0341","","","0.0887","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015834","22.7424","0.0011","7.4467","0.0002","29.6165","0.0013","90","","103.221","0.002","90","","4882.8","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aluminiumacetylacetonate","Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)","","- C15 H21 Al O6 -","- C15 H21 Al O6 -","- C180 H252 Al12 O72 -","12","3","AV3070","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K","Acta Crystallographica Section C","2007","63","3","m129","m134","10.1107/S0108270107005707","","","0.71073","MoKα","","0.0514","0.0383","","","0.1025","0.1107","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015835","8.194","0.002","9.959","0.002","15.358","0.003","104.27","0.03","103.99","0.03","91.1","0.03","1174.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[tetrakis(μ-propionato-κ^2^O:O')dicopper(II)]-μ-3- pyridylmethanol-κ^2^N:O-[bis(propionato-κO)bis(μ-3-pyridylmethanol- κ^2^N,O)copper(II)]-μ-3-pyridylmethanol-κO:N]","","- C42 H58 Cu3 N4 O16 -","- C42 H58 Cu3 N4 O16 -","- C42 H58 Cu3 N4 O16 -","1","0.5","BG3026","Moncol, Jan; Maroszova, Jaroslava; Melník, Milan; Koman, Marian","<i>catena</i>-Poly[[tetrakis(μ-propionato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)]-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>-[bis(propionato-κ<i>O</i>)bis(3-pyridylmethanol-κ<i>N</i>)copper(II)]-μ-3-pyridylmethanol-κ<i>O</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","3","m114","m116","10.1107/S0108270107004386","","","0.71069","MoKα","","0.0947","0.0534","","","0.1383","0.1531","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015836","12.1624","0.0004","7.2782","0.0002","21.4837","0.0007","90","","90","","90","","1901.75","0.1","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","butylammonium hexachloridotin(IV)","","- C8 H24 Cl6 N2 Sn -","- C8 H24 Cl6 N2 Sn -","- C32 H96 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0375","","","","0.1029","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015837","12.2351","0.0005","7.2021","0.0003","24.5723","0.0009","90","","90","","90","","2165.27","0.15","243","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentylammonium hexachloridotin(IV)","","- C10 H28 Cl6 N2 Sn -","- C10 H28 Cl6 N2 Sn -","- C40 H112 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0434","","","","0.1181","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015838","12.3622","0.0003","7.3179","0.0002","26.6245","0.0006","90","","90","","90","","2408.59","0.1","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","hexylammonium hexachloridotin(IV)","","- C12 H32 Cl6 N2 Sn -","- C12 H32 Cl6 N2 Sn -","- C48 H128 Cl24 N8 Sn4 -","4","0.5","BM3022","Lemmerer, Andreas; Billing, David G.; Reisinger, Sandra A.","Isostructural crystal packing and hydrogen bonding in alkylammonium tin(IV) chloride compounds","Acta Crystallographica Section C","2007","63","3","m97","m100","10.1107/S0108270107004659","","","0.71073","MoKα","","","0.0752","","","","0.2171","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015839","12.243","0.002","7.1124","0.0013","13.777","0.003","90","","93.697","0.003","90","","1197.2","0.4","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1-phenylethylammonium) hexachloridostannate(IV)","","- C16 H24 Cl6 N2 Sn -","- C16 H24 Cl6 N2 Sn -","- C32 H48 Cl12 N4 Sn2 -","2","0.5","BM3024","Billing, David G.; Lemmerer, Andreas; Rademeyer, Melanie","Bis(1-phenylethylammonium) hexachloridostannate(IV) and bis(2-phenylethylammonium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","3","m101","m104","10.1107/S0108270107004970","","","0.71073","MoKα","","","0.0307","","","","0.0968","","","","","","1.3","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015840","7.335","0.003","25.695","0.004","11.974","0.002","90","","90.03","0.02","90","","2256.8","1.1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-phenylethylammonium) hexachloridostannate(IV)","","- C16 H24 Cl6 N2 Sn -","- C16 H24 Cl6 N2 Sn -","- C64 H96 Cl24 N8 Sn4 -","4","1","BM3024","Billing, David G.; Lemmerer, Andreas; Rademeyer, Melanie","Bis(1-phenylethylammonium) hexachloridostannate(IV) and bis(2-phenylethylammonium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","3","m101","m104","10.1107/S0108270107004970","","","0.71073","MoKα","","","0.0501","","","","0.122","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015841","24.4297","0.0003","31.7167","0.0007","4.4409","0.0001","90","","90","","90","","3440.94","0.12","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(2,5-dihydroxyphenyl)-2-oxazoline","2-(2-Oxazolin-2-yl)benzene-1,4-diol","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","1","DN2121","Vratislav Langer; Eva Scholtzová; Dalma Gyepesová; Jozef Lustoň; Juraj Kronek","2-(2-Oxazolin-2-yl)benzene-1,4-diol: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","3","o187","o189","10.1107/S0108270107004131","","","0.71073","MoKα","","0.0489","0.0365","","","0.0879","0.0963","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015842","12.6852","0.0019","4.5157","0.0004","12.1383","0.0018","90","","113.915","0.011","90","","635.62","0.16","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(3-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0669","0.0509","","","0.0974","0.1008","","","","","","1.371","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015843","14.0683","0.0012","6.9497","0.0007","6.5553","0.0006","90","","98.264","0.007","90","","634.26","0.1","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","(E)-2-[(4-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C28 H24 Br2 N2 O4 -","2","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0473","0.0342","","","0.0701","0.0747","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015844","13.3255","0.0008","8.709","0.0005","11.9743","0.0006","90","","113.845","0.004","90","","1271.02","0.13","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-[(2-bromophenyl)iminomethyl]-4-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","DN3025","Özek, Arzu; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","Three (<i>E</i>)-2-[(bromophenyl)iminomethyl]-4-methoxyphenols","Acta Crystallographica Section C","2007","63","3","o177","o180","10.1107/S0108270107003241","","","0.71073","MoKα","","0.0394","0.0269","","","0.0537","0.0572","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015845","10.4847","0.0013","14.4641","0.0018","9.2203","0.0011","90","","107.244","0.002","90","","1335.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3,3-dichloro-1H-indol-2(3H)-one","","- C15 H11 Cl2 N O -","- C15 H11 Cl2 N O -","- C60 H44 Cl8 N4 O4 -","4","1","DN3029","Lotter, A. N. C.; Fernandes, M. A.; Otterlo, W. A. L. van; Koning, C. B. de","1-Benzyl-3,3-dichloro-1<i>H</i>-indol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","3","o157","o159","10.1107/S0108270107002028","","","0.71073","MoKα","","0.0424","0.0319","","","0.0832","0.0881","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015846","23.5972","0.0007","10.7419","0.0004","12.0086","0.0004","90","","90","","90","","3043.93","0.18","123.1","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","","- C7 H18 F3 O3 P3 S -","- C7 H18 F3 O3 P3 S -","- C56 H144 F24 O24 P24 S8 -","8","1","FA3074","Weigand, Jan J.; Davidson, Reagan J.; Cameron, T. Stanley; Burford, Neil","A second polymorph of bis(dimethylphosphino)dimethylphosphonium trifluoromethanesulfonate","Acta Crystallographica Section C","2007","63","3","o193","o195","10.1107/S0108270107006671","","","0.7107","MoKα","","","0.052","","","","0.063","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015847","7.9154","0.0012","9.8527","0.0015","9.8141","0.0013","90","","94.198","0.012","90","","763.33","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-difluoro-4-formylphenylboronic acid","2,3-Difluoro-4-formylphenylboronic acid","","- C7 H5 B F2 O3 -","- C7 H5 B F2 O3 -","- C28 H20 B4 F8 O12 -","4","1","FG3045","Klis, Tomasz; Lulinski, Sergiusz; Serwatowski, Janusz","2,3-Difluoro-4-formylphenylboronic acid","Acta Crystallographica Section C","2007","63","3","o145","o146","10.1107/S0108270107001576","","","0.71073","MoKα","","0.0652","0.0387","","","0.1022","0.1093","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015848","14.0597","0.0011","9.4711","0.0007","14.5223","0.0012","90","","106.626","0.001","90","","1853","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato- κ^4^N,N',N'',O:κO'] perchlorate]","","- C16 H18 Cl Cu N3 O6 -","- C16 H18 Cl Cu N3 O6 -","- C64 H72 Cl4 Cu4 N12 O24 -","4","1","GA3027","Choi, Ki-Young; Choi, Seung-Chul; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik","<i>catena</i>-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>:κ<i>O</i>'] perchlorate]","Acta Crystallographica Section C","2007","63","3","m85","m87","10.1107/S0108270106049870","","","0.71073","MoKα","","0.0481","0.0377","","","0.1023","0.1103","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015849","16.418","0.005","7.171","0.004","22.428","0.005","90","","102.543","0.005","90","","2577.5","1.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-Poly[aquabarium(II)]-μ-aqua-bis(μ-2-carboxybiphenyl-2- carboxylato)barium(II)]","","- C28 H22 Ba O10 -","- C28 H22 Ba O10 -","- C112 H88 Ba4 O40 -","4","1","GD3066","Djehni Samia; Balegroune, Fadila; Guehria-Laidoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","<i>catena</i>-Poly[[aquabarium(II)]-μ-aqua-bis(μ-2'-carboxybiphenyl-2-carboxylato)]","Acta Crystallographica Section C","2007","63","3","m91","m93","10.1107/S0108270107001874","","","0.71073","MoKα","","0.0452","0.0302","","","0.0629","0.0688","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015850","16.6521","0.0008","15.5103","0.0007","17.8922","0.0008","90","","115.34","0.002","90","","4176.5","0.3","292","2","292","2","","","","","","","","6","C 1 c 1","C -2yc","9","","catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] [[μ-thiosulfato-bis[(thiosulfato-κS)zinc(II)]]-δi-μ-4,4'-bipyridine- κ^4^N:N'] dihydrate], {[Zn(C~10~H~8~N~2~)(H~2~O)~4~][Zn~2~(S~2~O~3~)~3~(C~10~H~8~N~2~)~2~].2H~2~O","","- C30 H36 N6 O15 S6 Zn3 -","- C30 H36 N6 O15 S6 Zn3 -","- C120 H144 N24 O60 S24 Zn12 -","4","1","GD3072","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","A polymeric zinc thiosulfate complex containing anionic and cationic chains based on tetrahedral and octahedral zinc sites","Acta Crystallographica Section C","2007","63","3","m123","m125","10.1107/S0108270107006166","","","0.71073","MoKα","","0.0217","0.0205","","","0.0505","0.0512","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015851","7.9063","0.0001","9.6543","0.0002","10.7025","0.0002","70.771","0.001","71.47","0.001","73.531","0.001","716.62","0.02","120","2","","","","","","","","","","6","P -1","-P 1","2","","4,4,6,6-tetrachlorocyclo-2,2-(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C10 H20 Cl8 N6 O4 P6 -","2","1","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0256","","","","0.0687","","","","","","1.016","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015852","11.7673","0.0002","9.2325","0.0001","16.3007","0.0003","90","","90","","90","","1770.93","0.05","120","2","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C10 H20 Cl2 N3 O4 P3 -","- C10 H20 Cl2 N3 O4 P3 -","- C40 H80 Cl8 N12 O16 P12 -","4","0.5","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0288","","","","0.0776","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015853","18.0604","0.0004","8.321","0.0001","11.8528","0.0003","90","","99.955","0.001","90","","1754.43","0.06","120","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene","","- C10 H20 Cl2 N3 O4 P3 -","- C10 H20 Cl2 N3 O4 P3 -","- C40 H80 Cl8 N12 O16 P12 -","4","0.5","GD3078","Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene","Acta Crystallographica Section C","2007","63","3","o152","o156","10.1107/S0108270107003046","","","0.71073","MoKα","","","0.0265","","","","0.0678","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015854","11.1758","0.0003","12.1731","0.0003","13.0499","0.0003","112.201","0.001","102.2","0.001","106.856","0.001","1466.34","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(N,N-dimethylformamide-κO)(nitrato-κ^2^O:O')silver(I)]- μ-1,2-bis(diphenylphosphino)ethane-κ^2^P:P']","","- C29 H31 Ag N2 O4 P2 -","- C29 H31 Ag N2 O4 P2 -","- C58 H62 Ag2 N4 O8 P4 -","2","1","GD3080","Menezes Vicenti, Juliano R. de; Burrow, Robert A.","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(nitrato-κ<i>O</i>)silver(I)]-μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'] at 100 and 293K: temperature effects on the volume of the solvent pocket","Acta Crystallographica Section C","2007","63","3","m88","m90","10.1107/S010827010700306X","","","0.71073","MoKα","","0.0785","0.0444","","","0.0971","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015855","11.0869","0.0003","11.9653","0.0004","12.9618","0.0004","112.322","0.002","102.41","0.002","106.216","0.002","1424.15","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(N,N-dimethylformamide-κO)(nitrato-κ^2^O:O')silver(I)]- μ-1,2-bis(diphenylphosphino)ethane-κ^2^P:P']","","- C29 H31 Ag N2 O4 P2 -","- C29 H31 Ag N2 O4 P2 -","- C58 H62 Ag2 N4 O8 P4 -","2","1","GD3080","Menezes Vicenti, Juliano R. de; Burrow, Robert A.","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(nitrato-κ<i>O</i>)silver(I)]-μ-1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'] at 100 and 293K: temperature effects on the volume of the solvent pocket","Acta Crystallographica Section C","2007","63","3","m88","m90","10.1107/S010827010700306X","","","0.71073","MoKα","","0.0433","0.034","","","0.0761","0.0805","","","","","","1.041","","","","has coordinates,has Fobs","278247","2022-09-28","15:09:32",""
"2015856","11.2597","0.0004","4.4118","0.0002","17.6256","0.0006","90","","98.253","0.003","90","","866.49","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(2-cyanoethyl)thymine","3-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanenitrile","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C32 H36 N12 O8 -","4","1","GD3083","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Supramolecular motifs in 1-(2-cyanoethyl)thymine and 1-(3-cyanopropyl)thymine","Acta Crystallographica Section C","2007","63","3","o201","o203","10.1107/S0108270107006385","","","0.71073","MoKα","","0.0589","0.0365","","","0.0973","0.1174","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015857","4.8591","0.0008","9.8205","0.0012","10.5979","0.0011","75.815","0.01","78.364","0.012","80.78","0.011","476.94","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-(3-cyanopropyl)thymine","4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)butanenitrile","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C18 H22 N6 O4 -","2","1","GD3083","Borowiak, Teresa; Dutkiewicz, Grzegorz; Spychała, Jarosław","Supramolecular motifs in 1-(2-cyanoethyl)thymine and 1-(3-cyanopropyl)thymine","Acta Crystallographica Section C","2007","63","3","o201","o203","10.1107/S0108270107006385","","","0.71073","MoKα","","0.049","0.0392","","","0.111","0.1207","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015858","23.227","0.005","14.526","0.003","20.765","0.004","90","","94.99","0.02","90","","6979","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua(phthalocyaninato)magnesium n-propylamine disolvate","","- C38 H36 Mg N10 O -","- C38 H36 Mg N10 O -","- C304 H288 Mg8 N80 O8 -","8","1","GD3085","Vasyl Kinzhybalo; Jan Janczak","Aqua(phthalocyaninato)magnesium <i>n</i>-propylamine disolvate","Acta Crystallographica Section C","2007","63","3","m105","m107","10.1107/S0108270107004921","","","0.71073","MoKα","","0.1439","0.0483","","","0.0913","0.1073","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015859","6.7725","0.0006","11.0759","0.001","12.3543","0.001","101.734","0.002","91.725","0.002","97.031","0.002","899.08","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4,5-Dibromophthalimide","","- C8 H3 Br2 N O2 -","- C8 H3 Br2 N O2 -","- C32 H12 Br8 N4 O8 -","4","2","GD3087","Williamson, Craig; Harrison, William T. A.","4,5-Dibromophthalimide forms two centrosymmetric dimers, one linked by C—H···O hydrogen bonds and one by N—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","3","o185","o186","10.1107/S0108270107005239","","","0.71073","MoKα","","0.0834","0.0472","","","0.1061","0.1163","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015860","7.8817","0.0017","8.6832","0.0011","14.5715","0.0015","90","","90","","90","","997.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dione","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0554","0.0449","","","0.1153","0.1212","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015861","7.452","0.003","9.117","0.001","24.78","0.003","90","","90","","90","","1683.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N^3^-anisoyl-6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-N^4^-(2-methoxybenzoyl)-1,2,4- triazin-3,5(2H,4H)-dione","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C64 H68 N12 O28 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0495","0.0348","","","0.0854","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015862","9.5695","0.001","13.895","0.0016","22.229","0.003","90","","101.72","0.009","90","","2894.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''- terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)","","- C29 H30 N6 O6 Ru -","- C29 H29.658 N6 O6 Ru -","- C116 H118.632 N24 O24 Ru4 -","4","1","GZ3063","Kelson, Eric P.; Dean, Norman S.; Algarín, Edgar","Aquabis(3-methoxy-2-pyridonato)(2,2':6',2''-terpyridine)ruthenium(II)‒acetonitrile‒water (1/1/1)","Acta Crystallographica Section C","2007","63","3","m108","m110","10.1107/S0108270107004246","","","0.71073","MoKα","","0.059","0.0571","","","0.1138","0.1149","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015863","12.7","0.003","6.9721","0.0017","18.422","0.005","90","","107.275","0.003","90","","1557.6","0.7","169","2","169","2","","","","","","","","3","C 1 2 1","C 2y","5","(1S,2R,3R,4S,5S,6R,7S,8S,11S)-myo-inositol-1,2-camphor acetal","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H26 O6 -","- C16 H26 O6 -","- C64 H104 O24 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.1049","0.0571","","","0.0993","0.1129","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015864","13.1708","0.0017","6.9513","0.0009","20.737","0.003","90","","97.899","0.002","90","","1880.5","0.4","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","(1R,2S,3S,4R,5R,6S,7R/S,8S,11S)-myo-inositol-1,2-camphor acetal trihydrate","5,6-(1,7,7-trimethylbicyclo[2.2.1]heptane-2,2-diyldioxy)benzene-1,2,3,4-tetrol","","- C16 H32 O9 -","- C16 H32 O9 -","- C64 H128 O36 -","4","1","GZ3065","Gainsford, Graeme J.; Baars, Sylvia M.; Falshaw, Andrew","Cocrystallization and configurations of <i>myo</i>-inositol-1,2-<small>L</small>-camphor acetals in two crystal structures","Acta Crystallographica Section C","2007","63","3","o169","o172","10.1107/S0108270107004416","","","0.71073","MoKα","","0.0363","0.0274","","","0.0575","0.0594","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015865","12.91","0.003","7.077","0.004","14.001","0.003","90","","111.67","0.03","90","","1188.8","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S)-Benzyl N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","GZ3069","Stefanowicz, Piotr; Jaremko, Mariusz; Jaremko, Łukasz; Kochel, Andrzej","(3<i>S</i>)-Benzyl <i>N</i>-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)carbamate: two-dimensional sheets built from O—H···O, N—H···O, C=O···C=O and C—H···O interactions linked into a three-dimensional complex framework <i>via</i> C—H···π(arene) interactions","Acta Crystallographica Section C","2007","63","3","o204","o206","10.1107/S0108270107006646","","","0.71073","MoKα","","0.054","0.0397","","","0.0786","0.0832","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015866","11.5195","0.0013","8.6516","0.0007","15.9173","0.0011","90","","109.865","0.005","90","","1492","0.2","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ia","6-(4-Fluorophenyl)-8-phenyl-2,3-dihydro-4H-imidazo[5,1-b][1,3]thiazin-4-one","","- C18 H13 F N2 O S -","- C18 H13 F N2 O S -","- C72 H52 F4 N8 O4 S4 -","4","1","HJ3028","Gallagher, John F.; Le Bas, Marie-Delphine H.; Coleman, Claire M.; O'Shea, Donal F.","6-(4-Fluorophenyl)-8-phenyl-2,3-dihydro-4<i>H</i>-imidazo[5,1-<i>b</i>][1,3]thiazin-4-one: an unusual [6‒5] fused-ring system","Acta Crystallographica Section C","2007","63","3","o160","o162","10.1107/S0108270107002375","","","0.71073","MolybdenumKα","","0.0428","0.0349","","","0.088","0.0933","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015867","11.387","0.002","12.135","0.003","13.804","0.003","97.48","0.03","106.37","0.03","116.39","0.04","1565.3","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-phenylbiguanidium 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate","","- C12 H16 N8 O6 -","- C12 H16 N8 O6 -","- C48 H64 N32 O24 -","4","2","HJ3031","Gustavo Portalone; Marcello Colapietro","The 1:1 cocrystals of the proton-transfer compound dilituric acid‒phenylbiguanide monohydrate","Acta Crystallographica Section C","2007","63","3","o181","o184","10.1107/S0108270107005483","","","0.710689","MoKα","","0.0672","0.0643","","","0.1877","0.1907","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015868","4.634","0.001","14.672","0.003","15.153","0.003","90","","93.11","0.03","90","","1028.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cesium aluminium bis[dihydrogen arsenate(V)] hydrogen arsenate(V)","","- Al As3 Cs H5 O12 -","- Al As3 Cs H5 O12 -","- Al4 As12 Cs4 H20 O48 -","4","1","IZ3017","Schwendtner, Karolina; Kolitsch, Uwe","CsAl(H~2~AsO~4~)~2~(HAsO~4~): a new monoclinic protonated arsenate with decorated kröhnkite-like chains","Acta Crystallographica Section C","2007","63","3","i17","i20","10.1107/S0108270106045550","","","0.71073","MoKα","","0.027","0.0243","","","0.0597","0.0612","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015869","47.506","0.008","5.392","0.002","8.288","0.002","90","","100.38","0.02","90","","2088.2","1","178","2","178","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","","- C21 H28 O8 -","- C21 H28 O8 -","- C84 H112 O32 -","4","1","JZ3053","Bats, Jan W.; Miculka, Christian; Noe, Christian R.","1,17-Diphenyl-2,4,6,8,10,12,14,16-octaoxaheptadecane","Acta Crystallographica Section C","2007","63","3","o190","o192","10.1107/S0108270107004830","","","1.5418","CuKα","","0.0366","0.0356","","","0.0987","0.1001","","","","","","1.079","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015870","9.7735","0.0002","24.4098","0.0005","19.7439","0.0005","90","","93.865","0.001","90","","4699.57","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-butyl 6_benzyl-2-(3,3-diethylureido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine- 3-carboxylate","","- C24 H33 N3 O3 S -","- C24 H33 N3 O3 S -","- C192 H264 N24 O24 S8 -","8","2","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0921","0.0507","","","0.1163","0.1281","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015871","12.0595","0.0004","8.9892","0.0003","18.0483","0.0006","90","","106.503","0.001","90","","1875.93","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-2-diethylamino-5,6,7,8-tetrahydro-3-oxa-9-thia-1,7-diazafluoren-4-one","","- C20 H23 N3 O2 S -","- C20 H23 N3 O2 S -","- C80 H92 N12 O8 S4 -","4","1","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0423","0.0328","","","0.0867","0.0904","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015872","9.2927","0.0002","29.3299","0.0006","7.5645","0.0001","90","","106.015","0.001","90","","1981.72","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(7-Benzyl-4-oxo-5,6,7,8-tetrahydro-4H-3,9-dithia-1,7-diazafluoren- 2-yl)benzamide","","- C23 H19 N3 O2 S2 -","- C23 H19 N3 O2 S2 -","- C92 H76 N12 O8 S8 -","4","1","SK3083","Pietsch, Markus; Nieger, Martin; Gütschow, Michael","<i>N</i>-Benzyltetrahydropyrido-anellated thiophene derivatives: new anticholinesterases","Acta Crystallographica Section C","2007","63","3","o147","o151","10.1107/S0108270107001461","","","0.71073","MoKα","","0.0391","0.0332","","","0.0873","0.0904","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015873","19.068","0.006","13.431","0.004","15.92","0.005","90","","104.744","0.004","90","","3943","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-{N,N'-Bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine- 1κ^2^N,N')dinickel(II) bis(perchlorate)","","- C34 H44 Cl2 N8 Ni2 O10 -","- C34 H44 Cl2 N8 Ni2 O10 -","- C136 H176 Cl8 N32 Ni8 O40 -","4","0.5","SK3088","Wei Sun; Yan-Tuan Li; Zhi-Yong Wu; Ning-Yu Xiao","μ-{<i>N</i>,<i>N</i>'-Bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')dinickel(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","3","m111","m113","10.1107/S010827010700282X","","","0.71073","MoKα","","0.0724","0.0407","","","0.0932","0.1129","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015874","13.9047","0.0007","5.4818","0.0003","16.8837","0.0009","90","","104.243","0.001","90","","1247.36","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-erythro-1,2-diphenyl-1,3-propanediol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","SK3092","Langer, Vratislav; Li, Shiming; Lundquist, Knut","Stereoisomers of 1,2-diaryl-1,3-propanediols: <i>erythro</i> forms","Acta Crystallographica Section C","2007","63","3","o163","o165","10.1107/S0108270107001928","","","0.71073","MoKα","","0.0641","0.0452","","","0.1148","0.1264","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015875","11.3363","0.0009","11.3363","0.0009","11.1523","0.0013","90","","90","","120","","1241.2","0.2","274","2","274","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] thiosulfate dihydrate]","","- C10 H20 N2 Ni O9 S2 -","- C10 H20 N2 Ni O9 S2 -","- C30 H60 N6 Ni3 O27 S6 -","3","0.5","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0411","0.0353","","","0.0793","0.0818","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015876","11.2916","0.001","11.2916","0.001","23.66","0.003","90","","90","","120","","2612.5","0.5","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] sulfate methanol solvate monohydrate","","- C11 H22 N2 Ni O10 S -","- C11 H22 N2 Ni O10 S -","- C66 H132 N12 Ni6 O60 S6 -","6","1","AV3057","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain","Acta Crystallographica Section C","2007","63","4","m153","m156","10.1107/S0108270107007214","","","0.71073","MoKα","","0.0915","0.0678","","","0.1346","0.1441","","","","","","0.923","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015877","10.728","0.006","7.731","0.005","8.674","0.005","90","","110.068","0.005","90","","675.7","0.7","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[μ~5~-pyrazine-2,3-dicarboxylato-cadmium(II)]","","- C6 H2 Cd N2 O4 -","- C6 H2 Cd N2 O4 -","- C24 H8 Cd4 N8 O16 -","4","1","AV3069","Yun-Yu Liu; Guang-Shan Zhu; Shi-Lun Qiu","A new two-dimensional Cd^II^ coordination polymer constructed by pyrazine-2,3-dicarboxylate","Acta Crystallographica Section C","2007","63","4","m159","m160","10.1107/S0108270107009699","","","0.71069","MoKα","","0.0253","0.0229","","","0.0535","0.0543","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015878","7.9602","0.0013","11.6135","0.0018","26.586","0.005","90","","90","","90","","2457.8","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4-Diethylmaleinimide","3,4-Diethyl-2,5-dihydro-1H-pyrrole-2,5-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C96 H132 N12 O24 -","12","3","AV3071","Bröring, Martin; Brégier, Frédérique; Kleeberg, Christian","3,4-Diethyl-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section C","2007","63","4","o225","o227","10.1107/S0108270107006737","","","0.71073","MoKα","","0.1011","0.0471","","","0.0974","0.1078","","","","","","0.8","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015879","10.78","0.0016","11.88","0.0011","11.47","0.0015","90","","114.82","0.005","90","","1333.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridyl N,N'-dioxide‒3-hydroxy-2-naphthoic acid (1/2)","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","AV3073","Lou, Ben-Yong; Huang, Yan-Bin","4,4'-Bipyridyl <i>N</i>,<i>N</i>'-dioxide‒3-hydroxy-2-naphthoic acid (1/2)","Acta Crystallographica Section C","2007","63","4","o246","o248","10.1107/S0108270107009717","","","0.71073","MoKα","","0.0727","0.0514","","","0.124","0.1372","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015880","11.273","0.005","9.858","0.004","8.077","0.005","90","","99.43","0.03","90","","885.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","nicotinamadium perchlorate","3-(aminocarbonyl)pyridinium perchlorate","","- C6 H7 Cl N2 O5 -","- C6 H7 Cl N2 O5 -","- C24 H28 Cl4 N8 O20 -","4","1","AV3074","S. Athimoolam; S. Natarajan","Lamellar aggregation and hydrogen-bonding motifs in 3-(aminocarbonyl)pyridinium perchlorate and hydrogen oxalate","Acta Crystallographica Section C","2007","63","4","o263","o266","10.1107/S0108270107010098","","","0.71073","MoKα","","0.111","0.0706","","","0.191","0.2203","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015881","12.8295","0.0007","6.3148","0.0005","11.1883","0.0009","90","","104.95","0.012","90","","875.75","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nicotinamidium oxalate","3-(aminocarbonyl)pyridinium oxalate","","- C8 H8 N2 O5 -","- C8 H8 N2 O5 -","- C32 H32 N8 O20 -","4","1","AV3074","S. Athimoolam; S. Natarajan","Lamellar aggregation and hydrogen-bonding motifs in 3-(aminocarbonyl)pyridinium perchlorate and hydrogen oxalate","Acta Crystallographica Section C","2007","63","4","o263","o266","10.1107/S0108270107010098","","","0.71073","MoKα","","0.0577","0.0397","","","0.0989","0.1092","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015882","17.176","0.002","8.2272","0.001","5.8996","0.0007","90","","90","","90","","833.67","0.17","295","2","","","","","","","","","","4","C m c m","-C 2c 2","63","","Copper(I,II) pentachromium(III) germanate","","- Cr4.56 Cu1.44 Ge2 O12 -","- Cr4.559 Cu1.441 Ge2 O12 -","- Cr18.236 Cu5.764 Ge8 O48 -","4","0.25","BC3029","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Cu(Cu~0.44~Cr~4.56~)Ge~2~O~12~: a close-packed oxide with CuO~4~ tetrahedra","Acta Crystallographica Section C","2007","63","4","i21","i24","10.1107/S0108270107005355","","","0.71073","MoKα","","","0.0238","","","","0.0526","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015883","9.2994","0.0013","10.9817","0.0016","11.6053","0.0017","85.816","0.007","88.349","0.006","71.349","0.007","1119.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(1,3-diphenylpropane-1,3-dionato-κ^2^O,O')cobalt(II)]-μ- ethylenebis(diphenylphosphine oxide)-κ^2^O:O']","","- C56 H46 Co O6 P2 -","- C56 H46 Co O6 P2 -","- C56 H46 Co O6 P2 -","1","0.5","BG3025","Harding, David J.; Harding, Phimphaka; Thurakitseree, Theerapol; Adams, Harry","Unexpected oxidation of a diphosphine by bis(1,3-diphenylpropane-1,3-dionato)cobalt(II), [Co(dbm)~2~]","Acta Crystallographica Section C","2007","63","4","m163","m165","10.1107/S010827010700933X","","","0.71073","MoKα","","0.0976","0.0522","","","0.1115","0.128","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015884","20.1983","0.0007","14.188","0.0005","6.3","0.0002","90","","99.935","0.013","90","","1778.34","0.13","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium nicotinate","Sodium 3-pyridine-3-carboxylate","","- C6 H4 N Na O2 -","- C6 H4 N Na O2 -","- C72 H48 N12 Na12 O24 -","12","1.5","DN2134","Forsyth, Craig M.; Dean, Pamela M.; MacFarlane, Douglas R.","Sodium pyridine-3-carboxylate","Acta Crystallographica Section C","2007","63","4","m169","m170","10.1107/S0108270107009936","","","0.71073","MoKα","","0.0305","0.0291","","","0.0821","0.0835","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015885","11.1205","0.0007","11.1205","0.0007","14.843","0.001","90","","90","","120","","1589.65","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","lithium trimanganese bis[trioxoselenate(IV)] hexakis[hydrogentrioxoselenate(IV)]","","- H6 Li Mn3 O24 Se8 -","- H6 Li Mn3 O24 Se8 -","- H18 Li3 Mn9 O72 Se24 -","3","0.166667","FA3060","Johnston, Magnus G.; Harrison, William T. A.","LiMn~3~(SeO~3~)~2~(HSeO~3~)~6~","Acta Crystallographica Section C","2007","63","4","i28","i30","10.1107/S0108270107001588","","","0.71073","MoKα","","0.0366","0.0238","","","0.0485","0.0508","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015886","9.4829","0.0004","9.5307","0.0004","25.3955","0.0008","90","","90","","90","","2295.21","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((E)-{(1R,2R)-2-[(E)-(2-Hydroxy-1- naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","FA3062","Karabıyık, Hasan; Güzel, Bilgehan; Aygün, Muhittin; Boğa, Gülnaz; Büyükgüngör, Orhan","1-((<i>E</i>)-{(1<i>R</i>,2<i>R</i>)-2-[(<i>E</i>)-(2-Hydroxy-1-naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate: a Schiff base compound having both OH and NH character","Acta Crystallographica Section C","2007","63","4","o215","o218","10.1107/S0108270107005689","","","0.71073","MoKα","","0.0444","0.033","","","0.0765","0.0816","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015887","5.958","0.0005","12.2984","0.001","11.9168","0.0009","90","","90.185","0.001","90","","873.19","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-bis(2-methoxybenzylidene)phenylene-1,4-diamine","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.043","0.0389","","","0.0918","0.0938","","","","","","1.142","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015888","7.1825","0.0004","7.2077","0.0004","17.3048","0.001","90","","91.068","0.001","90","","895.7","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-dimethoxy-(p-phenylenedimethylene)dianiline","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.038","0.0321","","","0.0845","0.09","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015889","4.1216","0.0004","15.2474","0.0016","11.0751","0.0012","90","","90.707","0.002","90","","695.95","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-iodobenzaldehyde azine","(E,E)-1,4-bis(3-iodophenyl)-2,3-diazabuta-1,3-diene","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","FA3067","Ojala, William H.; Arola, Trina M.; Herrera, Nell; Balidemaj, Barjeta; Ojala, Charles R.","Isomeric Schiff bases related by dual imino-group reversals","Acta Crystallographica Section C","2007","63","4","o207","o211","10.1107/S0108270107006233","","","0.71073","MoKα","","0.0156","0.0145","","","0.0345","0.0348","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015890","11.2377","0.0002","19.8722","0.0004","11.243","0.0002","90","","90.142","0.001","90","","2510.75","0.08","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexapotassium cerium dihydrogensulfate tethrasulfate monohydrate","hexapotassium cerium dihydrogensulfate tethrasulfate monohydrate","","- Ce H2 K6 O25 S6 -","- Ce K6 O25 S6 -","- Ce4 K24 O100 S24 -","4","1","FA3068","Barbara M. Casari; Vratislav Langer","A pseudo-merohedrally twinned rare-earth sulfate: K~6~[Ce(HSO~4~)~2~(SO~4~)~4~]·H~2~O, a novel structure type","Acta Crystallographica Section C","2007","63","4","i25","i27","10.1107/S010827010700875X","","","0.71073","MoKα","","0.0439","0.0327","","","0.0822","0.0886","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015891","9.8574","0.0011","11.4847","0.0013","12.5957","0.0014","94.245","0.002","103.258","0.002","93.898","0.002","1378.8","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV)","","- C14 H18 Br10 N4 Sn -","- C14 H18 Br10 N4 Sn -","- C28 H36 Br20 N8 Sn2 -","2","1","GA3039","Al-Far, Rawhi; Ali, Basem Fares","Bis(2-amino-3,5-dibromo-4,6-dimethylpyridinium) hexabromidostannate(IV)","Acta Crystallographica Section C","2007","63","4","m137","m139","10.1107/S0108270107006452","","","0.71073","MoKα","","0.0454","0.0323","","","0.071","0.0758","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015892","4.9322","0.0002","15.3739","0.0005","16.4044","0.0005","90","","92.388","0.002","90","","1242.82","0.07","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-trans-1,2-di-4-pyridylethylene-κ^2^N:N'-μ~2~-sulfato- κ^2^O:O'-zinc(II)]","","- C12 H10 N2 O4 S Zn -","- C12 H10 N2 O4 S Zn -","- C48 H40 N8 O16 S4 Zn4 -","4","0.5","GA3040","Yi-Cheng Shen; Zhao-Ji Li; Ye-Yan Qin; Yuan-Gen Yao","Poly[μ~2~-<i>trans</i>-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>'-μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>'-zinc(II)]","Acta Crystallographica Section C","2007","63","4","m135","m136","10.1107/S0108270107007123","","","0.71073","MoKα","","","0.037","","","0.0711","0.0766","","","","","","0.907","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015893","12.4717","0.0015","5.0859","0.0006","21.0412","0.0019","90","","105.243","0.011","90","","1287.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetrakis(phenoxymethyl)pyrazine","","- C32 H28 N2 O4 -","- C32 H28 N2 O4 -","- C64 H56 N4 O8 -","2","0.5","GA3041","Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans","2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2007","63","4","o219","o222","10.1107/S010827010700710X","","","0.71073","MoKα","","0.1268","0.0621","","","0.1223","0.1503","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015894","6.4278","0.0007","9.7152","0.0012","12.0602","0.0012","91.152","0.01","102.748","0.008","107.217","0.008","698.69","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","","- C32 H28 N2 S4 -","- C32 H28 N2 S4 -","- C32 H28 N2 S4 -","1","0.5","GA3041","Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans","2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2007","63","4","o219","o222","10.1107/S010827010700710X","","","0.71073","MoKα","","0.0418","0.033","","","0.0792","0.0821","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015895","6.7854","0.0007","10.2766","0.0011","16.0242","0.0015","101.338","0.008","94.775","0.008","99.492","0.008","1072.82","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydrooxazol-4-ylidene)methyl]phenyl 4-methylphenylsulfonate","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C48 H38 N2 O12 S2 -","2","1","GD3084","Betül Şen; Gülsiye Öztürk; Serap Alp; Aygün, Muhittin; Büyükgüngör, Orhan","2-Methoxy-4-[(5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section C","2007","63","4","o223","o224","10.1107/S0108270107005720","","","0.71073","MoKα","","0.0878","0.0503","","","0.115","0.1325","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015896","9.397","0.003","18.314","0.002","7.399","0.004","90","","90","","90","","1273.3","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","GD3088","Montaño, Ángela Marcela; Henao, José Antonio; Vargas-Méndez, Leonor Y.; Kouznetsov, Vladimir V.; Atencio, Reinaldo","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","Acta Crystallographica Section C","2007","63","4","o228","o230","10.1107/S0108270107006221","","","0.71073","MoKα","","0.0465","0.0379","","","0.0961","0.1026","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015897","12.2197","0.001","11.0048","0.0011","17.2631","0.0014","90","","90","","90","","2321.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')cobalt(II)","","- C29 H16 Co N4 O5 -","- C29 H16 Co N4 O5 -","- C116 H64 Co4 N16 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0827","0.0408","","","0.0787","0.0914","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015898","12.2618","0.0016","10.929","0.002","17.171","0.003","90","","90","","90","","2301.1","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C29 H16 N4 Ni O5 -","- C29 H16 N4 Ni O5 -","- C116 H64 N16 Ni4 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0838","0.0429","","","0.0928","0.1162","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015899","14.6737","0.0016","10.5316","0.0013","15.7783","0.0017","90","","106.666","0.009","90","","2335.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')copper(II)","","- C29 H16 Cu N4 O5 -","- C29 H16 Cu N4 O5 -","- C116 H64 Cu4 N16 O20 -","4","0.5","GD3090","Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi","(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues","Acta Crystallographica Section C","2007","63","4","m166","m168","10.1107/S0108270107009377","","","0.71073","MoKα","","0.0631","0.0391","","","0.0791","0.0879","","","","","","1.011","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015900","7.717","0.0004","19.7883","0.0008","9.6468","0.0008","90","","128.155","0.005","90","","1158.38","0.15","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","triacetone aminium nitrate","2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C36 H72 N8 O16 -","4","1","GD3091","Rodrigues, V. H.; Cardoso, C.; Paixão, J. A.; Costa, M.M.R.R.","2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate","Acta Crystallographica Section C","2007","63","4","o243","o245","10.1107/S0108270107008268","","","1.54184","CuKα","","0.1","0.0589","","","0.1637","0.1907","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015901","8.8127","0.0007","11.5868","0.0009","13.5365","0.0011","81.433","0.006","77.957","0.006","73.665","0.006","1291.22","0.18","296","","296","","","","","","","","","7","P -1","-P 1","2","","trans-Diaqua{5,5'-[(E,E)-pyridine-2,6- diylbis(methylidynenitrilo)]bis[pyrimidine-2,4(1H,3H)-dione]}zinc(II) nitrate hexafluoridophosphate trihydrate","","- C15 H21 F6 N8 O12 P Zn -","- C15 H21 F6 N8 O12 P Zn -","- C30 H42 F12 N16 O24 P2 Zn2 -","2","1","GD3092","Özdemir, Namık; Dinçer, Muharrem; Doğaner, Gamze; Astley, Demet; Astley, Stephen T.","<i>trans</i>-Diaqua{5,5'-[(<i>E</i>,<i>E</i>)-pyridine-2,6-diylbis(methylidynenitrilo)]bis[pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]}zinc(II) nitrate hexafluorophosphate trihydrate","Acta Crystallographica Section C","2007","63","4","m147","m149","10.1107/S0108270107008633","","","0.71073","MoKα","","0.0367","0.0297","","","0.0802","0.0826","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015902","21.423","0.003","9.515","0.001","15.613","0.002","90","","90","","90","","3182.6","0.7","290","2","290","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","Naphthalene-1,7-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C160 H128 O32 -","16","2","GG3057","Marciniak, Bernard","Naphthalene-1,7-diol","Acta Crystallographica Section C","2007","63","4","o252","o254","10.1107/S0108270107009109","","","0.71073","MoKα","","0.068","0.039","","","0.0946","0.1229","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015903","9.5433","0.0002","9.1416","0.0002","21.8652","0.0004","90","","90","","90","","1907.54","0.07","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","metamitron","4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71069","MoKα","","0.0486","0.0388","","","0.0947","0.0993","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015904","11.6164","0.0003","7.1361","0.0002","12.0604","0.0003","90","","112.826","0.0015","90","","921.46","0.04","150","","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isometamitron","4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71073","MoKα","","0.045","0.0375","","","0.0949","0.0991","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015905","11.483","0.004","7.612","0.003","16.903","0.006","90","","95.79","0.03","90","","1469.9","0.9","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","α-epoxide","3β-acetoxy-9α,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.049","0.039","","","0.092","0.098","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015906","13.356","0.006","6.233","0.013","18.104","0.016","90","","92.14","0.07","90","","1506","3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","β-epoxide","3β-acetoxy-9β,11-epoxy-5α-lanost-9(11)-en-7-one","","- C32 H52 O4 -","- C32 H52 O4 -","- C64 H104 O8 -","2","1","GG3071","Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław","The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one","Acta Crystallographica Section C","2007","63","4","o249","o251","10.1107/S0108270107009754","","","0.71073","MoKα","","0.087","0.056","","","0.135","0.154","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015907","13.5266","0.0009","9.8617","0.0007","14.4429","0.0009","90","","112.083","0.003","90","","1785.3","0.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']cobalt(II)","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","0.5","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.0387","0.0278","","","0.0657","0.0681","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015908","13.7301","0.0006","9.8915","0.0005","14.8111","0.001","90","","112.063","0.003","90","","1864.21","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']cadmium(II)","","- C18 H16 Cd N6 O6 -","- C18 H16 Cd N6 O6 -","- C72 H64 Cd4 N24 O24 -","4","0.5","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.039","0.0327","","","0.0825","0.086","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015909","13.4483","0.0004","10.0101","0.0003","14.4749","0.0005","90","","111.674","0.002","90","","1810.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ^2^O,O']copper(II)","","- C18 H16 Cu N6 O6 -","- C18 H16 Cu N6 O6 -","- C72 H64 Cu4 N24 O24 -","4","1","GG3077","Lukashuk, Liliana V.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Diaquabis[4-(4<i>H</i>-1,2,4-triazol-4-yl)benzoato-κ^2^<i>O</i>,<i>O</i>']cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","4","m140","m143","10.1107/S0108270107009080","","","0.71073","MoKα","","0.0556","0.0377","","","0.0946","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","209316","2020-10-21","18:00:00",""
"2015910","16.581","0.003","4.7819","0.001","19.23","0.004","90","","100.674","0.003","90","","1498.3","0.5","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[μ~2~-4,4'-bipyridine-di-μ~3~-sulfito-dizinc(II)] monohydrate]","","- C10 H10 N2 O7 S2 Zn2 -","- C10 H10 N2 O7 S2 Zn2 -","- C40 H40 N8 O28 S8 Zn8 -","4","0.5","HJ3032","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Poly[[μ~2~-4,4'-bipyridine-di-μ~3~-sulfito-dizinc(II)] monohydrate]","Acta Crystallographica Section C","2007","63","4","m157","m158","10.1107/S0108270107009535","","","0.71073","MoKα","","0.0449","0.0342","","","0.0835","0.0891","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015911","7.73","0.002","20.439","0.003","13.321","0.002","90","","104.169","0.018","90","","2040.6","0.7","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","acetato(2,2'-{iminobis[(<i>E</i>)-propane-3,1- diylnitrilomethylylidyne]}diphenolato)cobalt(III)","","- C22 H26 Co N3 O4 -","- C22 H26 Co N3 O4 -","- C88 H104 Co4 N12 O16 -","4","1","JZ3056","Munro, Orde Q.; Govender, Santham","A new polymorph of a cobalt(III) Schiff base complex exhibits a one-dimensional C—H···O hydrogen-bonded extended structure with helical 2~1~ symmetry","Acta Crystallographica Section C","2007","63","4","m150","m152","10.1107/S0108270107007494","","","0.71073","MoKα","","","0.0332","","","","0.0827","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015912","7.01","0.0005","33.052","0.002","24.2496","0.0017","90","","90","","90","","5618.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(adeninium) phthalate phthalic acid 1.45-hydrate","","- C26 H24.91 N10 O9.45 -","- C26 H24.908 N10 O9.454 -","- C208 H199.264 N80 O75.632 -","8","1","LN3036","Sridhar, Balasubramanian; Ravikumar, Krishnan","Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate","Acta Crystallographica Section C","2007","63","4","o212","o214","10.1107/S0108270107006300","","","0.71073","MoKα","","0.0437","0.0399","","","0.1015","0.1044","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015913","7.2265","0.0014","9.698","0.0019","12.319","0.003","96.69","0.03","93.34","0.03","90.29","0.03","856","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(oxydiacetato- κ^3^O,O',O'')cobalt(II) trihydrate","","- C10 H18 Co N4 O9 S2 -","- C10 H18 Co N4 O9 S2 -","- C20 H36 Co2 N8 O18 S4 -","2","1","LN3044","Zhi-Yong Wu; Wei Sun; Yan-Tuan Li","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) trihydrate","Acta Crystallographica Section C","2007","63","4","m177","m180","10.1107/S0108270107011468","","","0.71073","MoKα","","0.0374","0.0303","","","0.0748","0.0783","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015914","7.0927","0.0014","10.092","0.002","10.633","0.002","101.76","0.03","96.29","0.03","98.09","0.03","730.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(4,4'-bipyridinium) diaquadioxalatoferrate(II) bis(hydrogen oxalate)","","- C28 H26 Fe N4 O18 -","- C28 H26 Fe N4 O18 -","- C28 H26 Fe N4 O18 -","1","0.5","SF3025","Xin Yang; Jiang Li; Xin-Hua Zhao; Hai-Wen Wang; Yong-Kui Shan","Hydrogen bonding and π‒π stacking in the three-dimensional supramolecular complex bis(4,4'-bipyridinium) diaquadioxalatoferrate(II) bis(hydrogen oxalate)","Acta Crystallographica Section C","2007","63","4","m171","m173","10.1107/S0108270107006440","","","0.71073","MoKα","","0.0767","0.0527","","","0.1112","0.1228","","","","","","1.076","","","","has coordinates","197922","2020-10-21","18:00:00",""
"2015915","31.578","0.014","8.006","0.004","12.006","0.006","90","","90","","90","","3035","3","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^O^3^,O^3'^:O^5^,O^5'^- bis[chloro(1,10-phenanthroline-κ^2^N,N')zinc(II)]","","- C33 H23 Cl2 N5 O4 Zn2 -","- C33 H23 Cl2 N5 O4 Zn2 -","- C132 H92 Cl8 N20 O16 Zn8 -","4","1","SF3026","Yan-Ting He; Kun-Lin Huang; Chang-Wen Hu; Wan-Long Pan; Ying-Nan Chi","A new two-dimensional supramolecule composed of μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^-bis[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]","Acta Crystallographica Section C","2007","63","4","m161","m162","10.1107/S0108270107009663","","","0.71073","MoKα","","0.0914","0.0465","","","0.0744","0.0887","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015916","14.3288","0.0005","12.0353","0.0004","13.1364","0.0005","90","","108.131","0.001","90","","2152.91","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate","","- C17 H28 Cl F3 Ge N2 O5 S -","- C17 H28 Cl F3 Ge N2 O5 S -","- C68 H112 Cl4 F12 Ge4 N8 O20 S4 -","4","1","SK3085","Komissarov, Eugene A.; Korlyukov, Alexander A.; Kramarova, Eugeniya P.; Bylikin, Sergey Yu.; Negrebetsky, Vadim V.; Baukov, Yuri I.","Chloridobis[(2-oxoazocan-1-yl)methyl]germanium(IV) trifluoromethanesulfonate","Acta Crystallographica Section C","2007","63","4","m144","m146","10.1107/S0108270107008736","","","0.71073","MoKα","","0.0503","0.0293","","","0.0612","0.0648","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015917","7.0932","0.0003","8.2032","0.0004","10.0526","0.0004","66.613","0.002","88.822","0.003","77.387","0.003","522.49","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Acetone 2,4-dinitrophenylhydrazone","","- C9 H10 N4 O4 -","- C9 H10 N4 O4 -","- C18 H20 N8 O8 -","2","1","SK3098","Wardell, James L.; Low, John N.; Glidewell, Christopher","A re-examination of supramolecular aggregation in two polymorphs of acetone 2,4-dinitrophenylhydrazone","Acta Crystallographica Section C","2007","63","4","o231","o233","10.1107/S0108270107006981","","","0.71073","MoKα","","0.0553","0.0413","","","0.1068","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015918","8.2526","0.0006","6.521","0.0002","19.7707","0.0002","90","","90","","90","","1063.96","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ethyl N-[2-(hydroxyacetyl)phenyl]carbamate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.71073","MoKα","","0.0515","0.0399","","","0.0997","0.1062","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015919","4.7535","0.0002","15.7179","0.0004","16.07","0.0005","90","","97.123","0.002","90","","1191.4","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl N-[2-(hydroxyacetyl)-4-iodophenyl]carbamate","","- C11 H12 I N O4 -","- C11 H12 I N O4 -","- C44 H48 I4 N4 O16 -","4","1","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.71073","MoKα","","0.0527","0.039","","","0.0715","0.0773","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015920","7.085","0.007","10.711","0.011","15.587","0.016","87.916","0.011","80.861","0.013","89.664","0.011","1167","2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl N-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","2","SK3102","Garden, Simon J.; Corrêa, Marilza B.; Pinto, Angelo C.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Ethyl <i>N</i>-[2-(hydroxyacetyl)phenyl]carbamate, ethyl <i>N</i>-[2-(hydroxyacetyl)-4-iodophenyl]carbamate and ethyl <i>N</i>-[2-(hydroxyacetyl)-4-methylphenyl]carbamate","Acta Crystallographica Section C","2007","63","4","o234","o238","10.1107/S0108270107008682","","","0.7848","synchrotron(Clegg,2000)","","0.1117","0.0836","","","0.2284","0.2454","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015921","8.662","0.0009","15.682","0.0012","15.691","0.0013","80.501","0.009","85.131","0.011","85.19","0.011","2089.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","dibromidotetrakis(tetrahydrofuran-κO)magnesium","","- C16 H32 Br2 Mg O4 -","- C16 H32 Br2 Mg O4 -","- C64 H128 Br8 Mg4 O16 -","4","2","SK3104","Lorbach, Andreas; Lerner, Hans-Wolfram; Bolte, Michael","A twinned triclinic polymorph of dibromidotetrakis(tetrahydrofuran-κ<i>O</i>)magnesium(II)","Acta Crystallographica Section C","2007","63","4","m174","m176","10.1107/S0108270107010694","","","0.71073","MoKα","","0.1163","0.0872","","","0.2211","0.2321","","","","","","1.438","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015922","9.1548","0.0005","9.3937","0.0005","16.7305","0.001","90","","90","","90","","1438.78","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxy-1-methylethyl)phthalamide","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","SQ3062","Guzei, Ilia A.; Spencer, Lara C.; McGaff, Robert W.; Kieler, Heidi M.; Robinson, Jerome R.","Constructor graph description of hydrogen bonding in a supramolecular assembly of <i>N</i>,<i>N</i>'-bis(2-hydroxy-1-methylethyl)phthalamide","Acta Crystallographica Section C","2007","63","4","o255","o258","10.1107/S0108270107009146","","","0.71073","Mo-Kα","","0.0399","0.0317","","","0.0785","0.0832","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015923","14.3378","0.0017","9.1666","0.0011","16.2696","0.0019","90","","100.711","0.002","90","","2101","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl ethyl 2-(triphenylphosphoranylidene)malonate","","- C24 H23 O4 P -","- C24 H23 O4 P -","- C96 H92 O16 P4 -","4","1","SQ3064","Fernando Castañeda; Carolina Jullian; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","Differences in the crystal structures of two dialkyl diester triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","4","o267","o270","10.1107/S0108270107010542","","","0.71073","MoKα","","0.1185","0.0651","","","0.1351","0.153","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015924","10.1031","0.0008","14.6961","0.0011","26.756","0.002","90","","92.734","0.001","90","","3968.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-(triphenylphosphoranylidene)malonate","","- C23 H21 O4 P -","- C23 H21 O4 P -","- C184 H168 O32 P8 -","8","2","SQ3064","Fernando Castañeda; Carolina Jullian; Clifford A. Bunton; María Teresa Garland; Ricardo Baggio","Differences in the crystal structures of two dialkyl diester triphenylphosphonium ylids","Acta Crystallographica Section C","2007","63","4","o267","o270","10.1107/S0108270107010542","","","0.71073","MoKα","","0.0825","0.056","","","0.1307","0.1451","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015925","5.7982","0.0005","13.0702","0.0012","15.554","0.0012","90","","108.191","0.003","90","","1119.83","0.17","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-chloro-2-oxo-2H-chromene-3-carboxylate","","- C12 H9 Cl O4 -","- C12 H9 Cl O4 -","- C48 H36 Cl4 O16 -","4","1","SU3001","Rocio J. Santos-Contreras; Francisco J. Martínez-Martínez; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Ana L. Peraza; Herbert Höpfl","Carbonyl‒carbonyl, carbonyl‒π and carbonyl‒halogen dipolar interactions as the directing motifs of the supramolecular structure of ethyl 6-chloro-2-oxo-2<i>H</i>-chromene-3-carboxylate and ethyl 6-bromo-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section C","2007","63","4","o239","o242","10.1107/S0108270107008712","","","0.71073","MoKα","","0.0617","0.0554","","","0.1497","0.1552","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015926","5.8432","0.0006","13.2073","0.0014","15.6959","0.0015","90","","109.327","0.003","90","","1143","0.2","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate","","- C12 H9 Br O4 -","- C12 H9 Br O4 -","- C48 H36 Br4 O16 -","4","1","SU3001","Rocio J. Santos-Contreras; Francisco J. Martínez-Martínez; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Ana L. Peraza; Herbert Höpfl","Carbonyl‒carbonyl, carbonyl‒π and carbonyl‒halogen dipolar interactions as the directing motifs of the supramolecular structure of ethyl 6-chloro-2-oxo-2<i>H</i>-chromene-3-carboxylate and ethyl 6-bromo-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section C","2007","63","4","o239","o242","10.1107/S0108270107008712","","","0.71073","MoKα","","0.0612","0.0446","","","0.1133","0.1226","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015927","6.4451","0.0001","13.9619","0.0002","14.0081","0.0002","90","","90","","90","","1260.53","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","AV3076","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Kafarska, Karolina; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. V. (4a<i>S</i>,7<i>R</i>,8a<i>R</i>)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2007","63","5","o280","o282","10.1107/S0108270107011821","","","1.54178","CuKα","","0.0345","0.0341","","","0.0969","0.0974","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015928","10.3441","0.0005","21.4937","0.001","15.4717","0.0007","90","","125.629","0.003","90","","2795.9","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2- ylidene]bromido(η^4^-cycloocta-1,5-diene)rhodium(I)","","- C29 H20 Br F10 N2 Rh -","- C29 H20 Br F10 N2 Rh -","- C116 H80 Br4 F40 N8 Rh4 -","4","1","AV3078","Dinçer, Muharrem; Özdemir, Namık; Gülcemal, Süleyman; Çetinkaya, Bekir; Büyükgüngör, Orhan","[1,3-Bis(2,3,4,5,6-pentafluorobenzyl)benzimidazol-2-ylidene]bromido(η^4^-cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section C","2007","63","5","m228","m230","10.1107/S0108270107015417","","","0.71073","MoKα","","0.0509","0.0379","","","0.0949","0.1005","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015929","9.5188","0.0004","15.4474","0.0007","17.8238","0.0008","90","","93.833","0.001","90","","2615","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(4-pyridylmethyl)oxalamide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C112 H112 N32 O16 -","8","2","AV3082","Lee, Gene-Hsiang; Wang, Hsin-Ta","Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate]","Acta Crystallographica Section C","2007","63","5","m216","m219","10.1107/S0108270107014527","","","0.71073","MoKα","","0.0825","0.0602","","","0.1322","0.1427","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015930","7.4566","0.0002","11.8572","0.0004","22.6024","0.0007","90","","90","","90","","1998.38","0.11","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","catena-poly[[[dichloridocobalt(II)]-μ-N,N'-bis(4-4-pyridylmethyl)oxalamide- κ^2^N:N'] hemihydrate]","","- C14 H15 Cl2 Co N4 O2.5 -","- C14 H15 Cl2 Co N4 O2.5 -","- C56 H60 Cl8 Co4 N16 O10 -","4","0.5","AV3082","Lee, Gene-Hsiang; Wang, Hsin-Ta","Hydrogen-bonded supramolecule of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and a zigzag chain structure of <i>catena</i>-poly[[[dichloridocobalt(II)]-μ-<i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide-κ^2^<i>N</i>^4^:<i>N</i>^4'^] hemihydrate]","Acta Crystallographica Section C","2007","63","5","m216","m219","10.1107/S0108270107014527","","","0.71073","MoKα","","0.0889","0.0602","","","0.1747","0.1889","","","","","","1.186","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015931","30.895","0.004","5.5976","0.0007","9.7522","0.0013","90","","90.027","0.002","90","","1686.5","0.4","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","Ammonium trisilver bis[fluorophosphate(V)]","","- Ag3 F2 H4 N O6 P2 -","- Ag3 F2 N O6 P2 -","- Ag24 F16 N8 O48 P16 -","8","2","BC3036","Weil, Matthias","NH~4~Ag~3~(PO~3~F)~2~, a layered monofluorophosphate(V) with seven different Ag sites","Acta Crystallographica Section C","2007","63","5","i31","i33","10.1107/S0108270107008967","","","0.71073","MoKα","","0.0381","0.0322","","","0.0733","0.0762","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015932","7.6699","0.0008","10.2612","0.0011","7.6571","0.0008","90","","100.004","0.002","90","","593.47","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dizinc selenium trioxo dichloride","Dizinc selenium dichloride trioxide","","- Cl2 O3 Se Zn2 -","- Cl2 O3 Se Zn2 -","- Cl8 O12 Se4 Zn8 -","4","1","BC3038","Johnsson, Mats; Törnroos, Karl W.","Zinc selenium oxochloride, β-Zn~2~(SeO~3~)Cl~2~, a synthetic polymorph of the mineral sophiite","Acta Crystallographica Section C","2007","63","5","i34","i36","10.1107/S0108270107012541","","","0.71073","MoKα","","0.0154","0.0133","","","0.0312","0.0318","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015933","19.2178","0.0004","5.8299","0.0001","11.9673","0.0002","90","","112.287","0.002","90","","1240.63","0.04","120","2","393","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[Diaquabis(isothiocyanato)iron(II)]-μ-4,4'-bi-1,2,4-triazole]","","- C6 H8 Fe N8 O2 S2 -","- C6 H8 Fe N8 O2 S2 -","- C24 H32 Fe4 N32 O8 S8 -","4","0.5","BG3030","Pillet, Sébastien; Lecomte, Claude","<i>catena</i>-Poly[[diaquadiisothiocyanatoiron(II)]-μ-4,4'-bi-1,2,4-triazole]: a one-dimensional coordination polymer","Acta Crystallographica Section C","2007","63","5","m184","m186","10.1107/S010827010701030X","","","0.71073","MoKα","","0.0324","0.0278","","","0.0704","0.073","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015934","10.472","0.001","10.2339","0.0007","14.518","0.002","90","","99.051","0.009","90","","1536.5","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ammonium bis(tetraethylammonium) hexacyanoferrate(III) trihydrate","","- C22 H50 Fe N9 O3 -","- C22 H50 Fe N9 O3 -","- C44 H100 Fe2 N18 O6 -","2","0.5","DN3040","Miroslava Matiková Maľarová; Juraj Černák; Werner Massa","Ammonium bis(tetraethylammonium) hexacyanidoferrate(III) trihydrate","Acta Crystallographica Section C","2007","63","5","m187","m189","10.1107/S0108270107010499","","","0.71069","MoKα","","0.0661","0.0388","","","0.0928","0.0999","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015935","6.089","0.0007","15.3562","0.0009","23.1522","0.0011","90","","90","","90","","2164.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3,5-Bis[(E)-benzylidene]-1-(1-phenylethyl)piperidin-4-one","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0792","0.0319","","","0.0743","0.0934","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015936","6.6409","0.0003","12.9466","0.0001","13.1274","0.0008","90","","94.2","0.016","90","","1125.62","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3,5-bis[(E)-4-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C54 H46 Cl4 N2 O2 -","2","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0598","0.049","","","0.1296","0.1392","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015937","25.746","0.005","6.1251","0.0009","16.1829","0.0019","90","","113.55","0.01","90","","2339.4","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","3,5-bis[(E)-2-chlorobenzylidene]-1-[(R)-1-phenylethyl]piperidin-4-one","","- C27 H23 Cl2 N O -","- C27 H23 Cl2 N O -","- C108 H92 Cl8 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0588","0.034","","","0.0761","0.0858","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015938","9.4426","0.0001","8.3584","0.0001","15.7881","0.0003","90","","103.213","0.002","90","","1213.09","0.03","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Bis(dimethyl sulfoxide-κO)bis(3-oxoquinoxaline-2-carboxylato-κ^2^N^1^,O^2^)copper(II)","","- C22 H22 Cu N4 O8 S2 -","- C22 H22 Cu N4 O8 S2 -","- C44 H44 Cu2 N8 O16 S4 -","2","0.5","FA3073","Popović, Zora; Pavlović, Gordana; Kukovec, Boris‒Marko","<i>trans</i>-Bis(dimethyl sulfoxide-κ<i>O</i>)bis(3-oxo-3,4-dihydroquinoxaline-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)copper(II)","Acta Crystallographica Section C","2007","63","5","m181","m183","10.1107/S0108270107010979","","","0.71073","MoKα","","0.0425","0.0348","","","0.0818","0.0871","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015939","10.384","0.002","8.187","0.001","13.013","0.003","90","","111.75","0.02","90","","1027.5","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate","","- C6 H8 F3 N5 O2 -","- C6 H8 F3 N5 O2 -","- C24 H32 F12 N20 O8 -","4","1","FA3075","Genivaldo Júlio Perpétuo; Jan Janczak","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trifluoroacetate","Acta Crystallographica Section C","2007","63","5","o271","o273","10.1107/S0108270107010165","","","0.71073","MoKα","","0.0907","0.0529","","","0.1489","0.1654","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015940","7.12899","0.00002","7.93194","0.00003","7.17658","0.00002","90","","90","","90","","405.812","0.002","4.5","","","","","","","","","","","4","C m c m","-C 2c 2","63","dimethyl sulfone","Perdeuterodimethyl sulfone","","- C2 D6 O2 S -","- C2 D6 O2 S -","- C8 D24 O8 S4 -","4","0.25","FA3079","Ibberson, R. M.","Neutron powder diffraction study of perdeuterodimethyl sulfone","Acta Crystallographica Section C","2007","63","5","o292","o294","10.1107/S0108270107012164","","neutron","","time-of-flightneutron","","","","","","","","","","1.98","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2015941","9.8171","0.0006","10.4167","0.0011","10.1713","0.0012","90","","112.078","0.009","90","","963.87","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminobenzoic acid bis(L-proline)","4-Aminobenzoic acid‒L-proline (1/2) monohydrate","","- C17 H27 N3 O7 -","- C17 H27 N3 O7 -","- C34 H54 N6 O14 -","2","1","FA3080","S. Athimoolam; S. Natarajan","Hydrogen-bonding features in the 1:2 adduct of 4-aminobenzoic acid and <small>L</small>-proline","Acta Crystallographica Section C","2007","63","5","o283","o286","10.1107/S0108270107013832","","","0.71073","MoKα","","0.0522","0.044","","","0.109","0.1149","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015942","9.806","0.0003","10.182","0.0003","13.818","0.002","97.035","0.006","104.455","0.006","96.171","0.003","1312.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-(1H-indol-3-yl)-3-methyl-4-(4-methylphenyl)-1-phenyl-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C32 H28 N6 O -","- C32 H28 N6 O -","- C64 H56 N12 O2 -","2","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1022","0.0504","","","0.1143","0.1461","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015943","30.303","0.003","11.349","0.0016","20.344","0.003","90","","131.01","0.005","90","","5279.5","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-(1H-indol-3-yl)-3-methyl-4-(4-methoxyphenyl)-1-phenyl-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C32 H28 N6 O2 -","- C32 H28 N6 O2 -","- C256 H224 N48 O16 -","8","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1361","0.0686","","","0.1777","0.2373","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015944","8.8241","0.001","11.9901","0.0009","12.913","0.0017","99.372","0.009","108.822","0.012","90.994","0.007","1272.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-(1H-indol-3-yl)-3-methyl-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C31 H25 N5 O3 -","- C31 H25 N5 O3 -","- C62 H50 N10 O6 -","2","1","FA3082","Low, John N.; Cobo, Justo; Sánchez, Ana; Trilleras, Jorge; Glidewell, Christopher","Supramolecular aggregation in three 4-aryl-6-(1<i>H</i>-indol-3-yl)-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitriles","Acta Crystallographica Section C","2007","63","5","o287","o291","10.1107/S0108270107013649","","","0.71073","MoKα","","0.1363","0.0549","","","0.1167","0.1515","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015945","6.4641","0.0004","7.8224","0.0005","18.6122","0.0013","90","","90","","90","","941.12","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(Ammoniomethyl)-5-methylhexanoate","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","GA3046","Venu, Nalivela; Vishweshwar, Peddy; Ram, Thaimattam; Surya, Devarakonda; Apurba, Bhattacharya","(<i>S</i>)-3-(Ammoniomethyl)-5-methylhexanoate (pregabalin)","Acta Crystallographica Section C","2007","63","5","o306","o308","10.1107/S0108270107016952","","","0.7107","MoKα","","","0.051","","","","0.056","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015947","10.7451","0.0004","11.0327","0.0004","31.2265","0.0012","90","","90","","90","","3701.8","0.2","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[methyl 4-O-benzyl-2,3,6-tri-O-(2-picolyl)-α-D-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate","","- C32 H41 Cl2 Co N3 O17 -","- C32 H41 Cl2 Co N3 O17 -","- C128 H164 Cl8 Co4 N12 O68 -","4","1","GD3097","Cisnetti, Federico; Guillot, Regis; Thérisod, Michel; Policar, Clotilde","Diaqua[methyl 4-<i>O</i>-benzyl-2,3,6-tri-<i>O</i>-(2-picolyl)-α-<small>D</small>-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate: partial coordination of a ligand derived from <small>D</small>-mannose","Acta Crystallographica Section C","2007","63","5","m201","m203","10.1107/S0108270107013522","","","0.71073","MoKα","","0.0377","0.0317","","","0.0686","0.0702","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015948","26.709","0.005","25.884","0.005","3.779","0.001","90","","90","","90","","2612.6","1","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Triamino-1,3,5-triazine‒1H-isoindole-1,3(2H)-dione (1/3)","","- C27 H21 N9 O6 -","- C27 H21 N9 O6 -","- C108 H84 N36 O24 -","4","0.5","GG3088","Genivaldo Júlio Perpétuo; Jan Janczak","2,4,6-Triamino-1,3,5-triazine‒1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (1/3)","Acta Crystallographica Section C","2007","63","5","o301","o302","10.1107/S0108270107015880","","","0.71073","MoKα","","0.0567","0.0336","","","0.0818","0.0923","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015949","11.2058","0.0002","12.7677","0.0002","15.0499","0.0003","90","","99.3278","0.0009","90","","2124.75","0.07","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[(1-Phenylsulfonyl-1H-indol-3-yl)methylene]-1-azabicyclo[2.2.2]octan-3-one semicarbazone","","- C23 H23 N5 O3 S -","- C23 H23 N5 O3 S -","- C92 H92 N20 O12 S4 -","4","1","HJ3030","Sonar, Vijayakumar N.; M. Venkatraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-[(1-Phenylsulfonyl-1<i>H</i>-indol-3-yl)methylene]-1-azabicyclo[2.2.2]octan-3-one semicarbazone","Acta Crystallographica Section C","2007","63","5","o277","o279","10.1107/S0108270107006129","","","0.71073","MoKα","","0.0587","0.0396","","","0.1012","0.1109","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015950","9.7596","0.0002","10.1025","0.0002","10.7227","0.0002","80.173","0.001","76.633","0.001","71.442","0.001","969.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-{[(4-Methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate","","- C20 H19 N O5 S2 -","- C20 H19 N O5 S2 -","- C40 H38 N2 O10 S4 -","2","1","HJ3033","Morgans, G. L.; Scalzullo, S. M.; Fernandes, M. A.; Michael, J. P.; van Otterlo, W. A. L.","2-{[(4-Methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section C","2007","63","5","o309","o311","10.1107/S0108270107015430","","","0.71073","MoKα","","0.0454","0.0383","","","0.1007","0.1046","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015951","7.4094","0.0002","12.6262","0.0005","14.0648","0.0005","90","","94.26","0.001","90","","1312.16","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[3-aminopyridinium μ~3~-hydroxido-di-μ~3~-sulfato-bis[aquasulfatocopper(II)]]","","- C5 H12 Cu2 N2 O11 S2 -","- C5 H12 Cu2 N2 O11 S2 -","- C20 H48 Cu8 N8 O44 S8 -","4","1","HJ3034","Lah, Nina; Leban, Ivan; Giester, Gerald","A new copper(II) basic sulfate: poly[3-aminopyridinium μ~3~-hydroxido-di-μ~3~-sulfato-bis[aquacopper(II)]]","Acta Crystallographica Section C","2007","63","5","m222","m224","10.1107/S0108270107013285","","","0.71073","MoKα","","0.0205","0.0199","","","0.0526","0.0528","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015952","6.5347","0.0005","7.517","0.0008","12.4428","0.0005","80.022","0.006","80.203","0.005","67.25","0.008","551.54","0.08","294","","294","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^O:O')bis[(formato-κO)copper(II)]","","- C12 H20 Cu2 N4 O12 S2 -","- C12 H20 Cu2 N4 O12 S2 -","- C12 H20 Cu2 N4 O12 S2 -","1","0.5","HJ3035","Sieroń, Lesław","Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-bis[(formato-κ<i>O</i>)copper(II)]","Acta Crystallographica Section C","2007","63","5","m199","m200","10.1107/S0108270107013303","","","0.71073","MoKα","","0.0316","0.0249","","","0.0672","0.072","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015953","8.6963","0.0004","24.5966","0.0011","14.3247","0.0007","90","","90","","90","","3064","0.2","105","2","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9H-purine","","- C17 H13 Cl N4 O2 -","- C17 H13 Cl N4 O2 -","- C136 H104 Cl8 N32 O16 -","8","2","LN3042","Braendvang, Morten; Gundersen, Lise-Lotte","2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9<i>H</i>-purine","Acta Crystallographica Section C","2007","63","5","o274","o276","10.1107/S0108270107011596","","","0.71073","MoKα","","","0.0385","","","","0.088","","","","","","0.891","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015954","5.4331","0.0002","10.6173","0.0004","19.189","0.0005","90","","97.771","0.002","90","","1096.75","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetraaquaberyllium 4-oxo-4H-pyran-2,6-dicarboxylate","","- C7 H10 Be O10 -","- C7 H10 Be O10 -","- C28 H40 Be4 O40 -","4","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0463","0.0369","","","0.1029","0.118","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015955","6.4669","0.0002","7.0797","0.0003","18.8278","0.0006","90","","97.372","0.002","90","","854.88","0.05","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","hydrazinium(2+) diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)calcate","","- C14 H14 Ca N2 O14 -","- C14 H14 Ca N2 O14 -","- C28 H28 Ca2 N4 O28 -","2","0.5","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0378","0.0363","","","0.1111","0.1161","","","","","","1.204","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015956","7.4343","0.0002","10.1176","0.0003","10.229","0.0003","61.935","0.002","78.219","0.003","69.061","0.002","633.49","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","bis(μ-4-oxo-4H-pyran-2,6-dicarboxylato)bis[tetraaquamanganese(II)] tetrahydrate","","- C14 H28 Mn2 O24 -","- C14 H28 Mn2 O24 -","- C14 H28 Mn2 O24 -","1","0.5","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0438","0.0302","","","0.0679","0.0737","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015957","4.9593","0.0006","9.8973","0.0014","10.4697","0.0012","94.237","0.009","94.955","0.009","97.353","0.006","505.88","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","tetraaqua(4-oxo-4H-pyran-2,6-dicarboxylato)copper(II)","","- C7 H10 Cu O10 -","- C7 H10 Cu O10 -","- C14 H20 Cu2 O20 -","2","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0572","0.052","","","0.15","0.1559","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015958","5.3262","0.0002","6.2885","0.0002","8.1008","0.0003","97.733","0.002","105.055","0.0017","110.436","0.0018","237.795","0.015","120","2","120","2","","","","","","","","4","P 1","P 1","1","","diaqua(4-oxo-4H-pyran-2,6-dicarboxylato)cadmium monohydrate","","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","- C7 H8 Cd O9 -","1","1","LN3043","Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher","Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)","Acta Crystallographica Section C","2007","63","5","m207","m215","10.1107/S010827010701459X","","","0.71073","MoKα","","0.0179","0.0179","","","0.0419","0.0419","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015959","8.9567","0.0018","11.118","0.002","11.568","0.002","106.71","0.03","98.67","0.03","99.21","0.03","1065.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)cadmium(II) trihydrate","","- C18 H18 Cd Cl2 N6 O3 -","- C18 H18 Cd Cl2 N6 O3 -","- C36 H36 Cd2 Cl4 N12 O6 -","2","1","LN3046","Xie, Hong-Zhen; Pan, Wei-Juan","A planar cyclic hexamer of water molecules in dichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine)cadmium(II) trihydrate","Acta Crystallographica Section C","2007","63","5","m204","m206","10.1107/S0108270107015703","","","0.71073","MoKα","","0.0468","0.0393","","","0.1099","0.1138","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015960","11.6289","0.0017","12.179","0.002","3.8538","0.0007","90","","90","","90","","545.81","0.16","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","[HgCl~2~(4,4'-Bipy)]~n~","poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chloro-mercury(II)]","","- C10 H8 Cl2 Hg N2 -","- C10 H8 Cl2 Hg N2 -","- C20 H16 Cl4 Hg2 N4 -","2","0.125","LN3048","Yi-Ming Xie; Ji-Huai Wu","The layered compound poly[μ~2~-4,4'-bipyridyl-di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section C","2007","63","5","m220","m221","10.1107/S0108270107016800","","","0.71073","MoKα","","0.0188","0.0188","","","0.0451","0.0451","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015961","6.971","0.0002","10.9014","0.0003","18.3749","0.0006","90","","93.631","0.002","90","","1393.57","0.07","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.0781","0.0554","","","0.1272","0.1399","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015962","6.8247","0.0006","7.9273","0.0005","14.4038","0.001","82.558","0.005","88.133","0.004","75.075","0.005","746.63","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate","","- C13 H16 N4 O7 -","- C13 H16 N4 O7 -","- C26 H32 N8 O14 -","2","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.093","0.0644","","","0.156","0.1745","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015963","7.3245","0.0002","15.8349","0.0006","8.9264","0.0003","90","","105.251","0.002","90","","998.85","0.06","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-amino-4,6-dimethoxypyrimidinium hydrogen L-tartrate 2-amino-4,6-dimethoxypyrimidine","","- C16 H24 N6 O10 -","- C16 H24 N6 O10 -","- C32 H48 N12 O20 -","2","1","OB3031","Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch","Hydrogen-bonded supramolecular motifs in 2-amino-4,6-dimethoxypyrimidinium 4-hydroxybenzoate monohydrate, 2-amino-4,6-dimethoxypyrimidinium 6-carboxypyridine-2-carboxylate monohydrate and 2-amino-4,6-dimethoxypyrimidinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate 2-amino-4,6-dimethoxypyrimidine","Acta Crystallographica Section C","2007","63","5","o295","o300","10.1107/S0108270107005677","","","0.71073","MoKα","","0.0564","0.0491","","","0.1056","0.1103","","","","","","1.147","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015964","6.4711","0.0013","9.781","0.002","12.524","0.003","90","","90","","90","","792.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-carbamoyl-L-proline","(2S)-1-Carbamoylpyrrolidine-2-carboxylic acid","","- C6 H10 N2 O3 -","- C6 H10 N2 O3 -","- C24 H40 N8 O12 -","4","1","SK3108","Seijas, Luis E.; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Briceño, Alexander","(2<i>S</i>)-1-Carbamoylpyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2007","63","5","o303","o305","10.1107/S0108270107014102","","","0.7107","MoKα","","0.0574","0.0478","","","0.1227","0.1322","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015965","5.1056","0.0003","16.5856","0.001","9.6587","0.0006","90","","99.962","0.001","90","","805.56","0.08","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate)","","- C12 H12 B2 F8 N4 -","- C12 H12 B2 F8 N4 -","- C24 H24 B4 F16 N8 -","2","0.5","SK3115","Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","5","o312","o314","10.1107/S0108270107015764","","","0.71073","MoKα","","0.0604","0.04","","","0.1056","0.1189","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015966","15.0896","0.0006","11.5525","0.0005","7.8694","0.0003","90","","90","","90","","1371.81","0.1","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-[4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C48 H44 Cl4 N16 O16 -","4","1","SK3115","Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy","4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","5","o312","o314","10.1107/S0108270107015764","","","0.71073","MoKα","","0.0415","0.0322","","","0.0779","0.0822","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015967","10.89","0.002","7.7642","0.0016","12.272","0.003","90","","111.87","0.03","90","","962.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(N,N-dimethylformamide-κO)manganese(II)]-μ~3~-sulfato]","","- C3 H11 Mn N O7 S -","- C3 H11 Mn N O7 S -","- C12 H44 Mn4 N4 O28 S4 -","4","1","SQ3072","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[[diaqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)manganese(II)]-μ~3~-sulfato]","Acta Crystallographica Section C","2007","63","5","m225","m227","10.1107/S010827010701791X","","","0.71073","MoKα","","0.0209","0.0201","","","0.0547","0.0552","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015968","20.3809","0.0008","9.5957","0.0003","15.737","0.0006","90","","90","","90","","3077.67","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","cis-dichloro(phenanthrolinedione) trans-dipyridinecobalt(II) pyridine solvate","<i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^N,N')-<i>trans</i>- dipyridinecobalt(II) pyridine disolvate","","- C32 H26 Cl2 Co N6 O2 -","- C32 H26 Cl2 Co N6 O2 -","- C128 H104 Cl8 Co4 N24 O8 -","4","1","SU3002","Cédric Desroches; Lars Öhrström","Transformations of the chameleon ligand 1,10-phenanthroline-5,6-dione/diol: <i>cis</i>-dichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-dipyridinecobalt(II) pyridine disolvate prepared from the diol","Acta Crystallographica Section C","2007","63","5","m190","m192","10.1107/S0108270107010554","","","0.71073","MoKα","","0.1038","0.0511","","","0.125","0.1267","","","","","","0.897","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015969","39.627","0.002","22.3406","0.0011","23.7155","0.001","90","","107.687","0.002","90","","20002.7","1.7","90","0.2","90","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Octakis(ε-caprolactam-κO)erbium(III) hexaisothiocyanatochromate(III)","","- C54 H88 Cr Er N14 O8 S6 -","- C54 H88 Cr Er N14 O8 S6 -","- C648 H1056 Cr12 Er12 N168 O96 S72 -","12","1.5","SU3006","Elisaveta V. Cherkasova; Eugenia V. Peresypkina; Alexander V. Virovets; Nina V. Podberezskaya; Tatyana G. Cherkasova","Octakis(ε-caprolactam-κ<i>O</i>)erbium(III) hexaisothiocyanatochromate(III)","Acta Crystallographica Section C","2007","63","5","m195","m198","10.1107/S0108270107015181","","","0.71073","MoKα","","0.0968","0.0449","","","0.0801","0.1007","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015970","8.314","0.002","6.968","0.002","19.46","0.002","90","","90.645","0.005","90","","1127.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2- oxidobenzylidene-κO^2^)glycinato-κ^3^N,O':O'] monohydrate]","","- C10 H11 Cu N O7 -","- C10 H11 Cu N O7 -","- C40 H44 Cu4 N4 O28 -","4","1","AV3081","Cai, Jin-Hua; Wu, Zhi-Hong; Huang, Ying-Heng; Yin, Xu-Ju; Jiang, Yi-Min","A novel helical copper complex: <i>catena</i>-poly[[[aquacopper(II)]-μ-<i>N</i>-(3-carboxy-2-oxidobenzylidene-κ<i>O</i>^2^)glycinato-κ^3^<i>N</i>,<i>O</i>':<i>O</i>'] monohydrate]","Acta Crystallographica Section C","2007","63","6","m267","m269","10.1107/S0108270107019312","","","0.71073","MoKα","","0.0581","0.0525","","","0.147","0.1499","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015971","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Aspartic acid","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of <i>L</i>-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0451","0.0428","","","0.0402","0.019","","","","","","1.467","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015972","5.1135","0.0002","6.9059","0.0003","7.5925","0.0003","90","","100.662","0.004","90","","263.48","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Aspartic acid","","- C4 H7 N O4 -","- C4 H7 N O4 -","- C8 H14 N2 O8 -","2","1","AV3087","Bendeif, El-eulmi; Jelsch, Christian","The experimental library multipolar atom model refinement of <i>L</i>-aspartic acid","Acta Crystallographica, Section C","2007","63","6","o361","o364","10.1107/S0108270107021671","","","0.71073","MoKα","","0.0532","0.0553","","","0.0522","0.0255","","","","","","1.883","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015973","10.184","0.002","10.842","0.001","11.034","0.002","98.72","0.03","110.42","0.02","92.42","0.03","1122.6","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate","","- C23 H23 N5 O7 -","- C23 H23 N5 O7 -","- C46 H46 N10 O14 -","2","1","AV3088","Zhi-Feng Li; Ping Wang; Qian Zhang; Zao-Ming Chen; Chun-Xiang Wang","2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate","Acta Crystallographica Section C","2007","63","6","o369","o370","10.1107/S0108270107021920","","","0.71073","MoKα","","0.107","0.0527","","","0.1195","0.1388","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015974","13.307","0.002","5.0336","0.0005","12.1142","0.0018","90","","116.218","0.005","90","","727.95","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^O:O']","","- C14 H12 O8 S Zn -","- C14 H12 O8 S Zn -","- C28 H24 O16 S2 Zn2 -","2","0.5","BM3026","Peng-Bin Pan; Lei Zhang; Zhao-Ji Li; Xin-Yi Cao; Yuan-Gen Yao","<i>catena</i>-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2007","63","6","m270","m272","10.1107/S0108270107008244","","","0.71073","MoKα","","0.0453","0.037","","","0.0844","0.0897","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015975","32.3762","0.0004","43.4056","0.0002","5.5618","0.0001","90","","90","","90","","7816.04","0.17","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline","","- C23 H22 Br N3 -","- C23 H22 Br N3 -","- C368 H352 Br16 N48 -","16","1","DN3043","Langer, Vratislav; Scholtzová, Eva; Koóš, Miroslav","3-(4-Bromophenyl)-5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazoline: X-ray and density functional theory (DFT) studies","Acta Crystallographica Section C","2007","63","6","o340","o342","10.1107/S0108270107020689","","","0.71073","MoKα","","0.0561","0.0443","","","0.105","0.113","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015976","7.8089","0.0012","10.5225","0.0017","12.3618","0.0019","91.787","0.002","91.722","0.002","106.632","0.003","972","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-biquinoline-κ^2^N,N')bis(dihydrogenphosphato-κO)copper(II)/zinc(II) (0.88/0.12)","","- C18 H16 Cu0.12 N2 O8 P2 Zn0.88 -","- C18 H16 Cu0.12 N2 O8 P2 Zn0.88 -","- C36 H32 Cu0.24 N4 O16 P4 Zn1.76 -","2","1","FA3081","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","Two polymorphic forms of a mixed zinc/copper biquinoline dihydrogenphosphate","Acta Crystallographica Section C","2007","63","6","m249","m252","10.1107/S0108270107020033","","","0.71073","MoKα","","0.0688","0.0573","","","0.1299","0.1356","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015977","9.3801","0.0012","20.528","0.003","10.2991","0.0013","90","","98.791","0.002","90","","1959.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,2'-biquinoline-κ^2^N,N')bis(dihydrogenphosphato-κO)copper(II)/zinc(II) (0.90/0.10)","","- C18 H16 Cu0.1 N2 O8 P2 Zn0.9 -","- C18 H16 Cu0.1 N2 O8 P2 Zn0.9 -","- C72 H64 Cu0.4 N8 O32 P8 Zn3.6 -","4","1","FA3081","Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio","Two polymorphic forms of a mixed zinc/copper biquinoline dihydrogenphosphate","Acta Crystallographica Section C","2007","63","6","m249","m252","10.1107/S0108270107020033","","","0.71073","MoKα","","0.0907","0.0591","","","0.1013","0.1094","","","","","","1.021","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015978","11.9883","0.001","8.9128","0.0005","12.4236","0.0015","90","","90.499","0.008","90","","1327.4","0.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN)cobalt(II)","","- C26 H24 Co F2 N4 O8 -","- C26 H24 Co F2 N4 O8 -","- C52 H48 Co2 F4 N8 O16 -","2","0.5","FA3085","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Ozturkkan, Elif Fureyya; Necefoglu, Hacali","Diaquabis(4-fluorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section C","2007","63","6","m243","m245","10.1107/S0108270107019750","","","0.71073","MoKα","","0.0487","0.043","","","0.1169","0.121","","","","","","1.062","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015979","6.2809","0.0005","21.9393","0.0019","9.6452","0.0009","90","","100.495","0.002","90","","1306.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.0602","0.0498","","","0.1335","0.1499","","","","","","1.116","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015980","21.716","0.003","6.195","0.0008","20.398","0.002","90","","96.927","0.002","90","","2724.1","0.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","","- C13 H14 Cl N O5 -","- C13 H14 Cl N O5 -","- C104 H112 Cl8 N8 O40 -","8","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.0419","0.0374","","","0.106","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015981","9.3969","0.0005","9.4328","0.0005","12.2133","0.0007","90","","90","","90","","1082.58","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.042","0.0339","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015982","22.9326","0.0011","12.1235","0.0006","7.0111","0.0003","90","","96.707","0.002","90","","1935.91","0.16","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N^4^-(Pyrrol-1-yl)-1,2,4-triazole","","- C6 H6 N4 -","- C6 H6 N4 -","- C72 H72 N48 -","12","1.5","GA3049","Hellyer, Ryan M.; Joule, John A.; Larsen, David S.; Brooker, Sally","4-(Pyrrol-1-yl)-1,2,4-triazole","Acta Crystallographica Section C","2007","63","6","o358","o360","10.1107/S0108270107020112","","","0.71073","MoKα","","0.0391","0.0356","","","0.0866","0.0893","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015983","11.0883","0.0019","26.405","0.005","6.801","0.0012","90","","90","","90","","1991.2","0.6","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","poly[[aquastrontium(II)]-μ~6~-4-nitrobenzene-1,3-dicarboxylato- κ^7^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^3^:\ <i>O</i>^3^,<i>O</i>^4^:<i>O</i>^4^]","","- C8 H5 N O7 Sr -","- C8 H5 N O7 Sr -","- C64 H40 N8 O56 Sr8 -","8","1","GA3050","Xiong, Li-Qin; Qi, Chuan-Min","A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid","Acta Crystallographica Section C","2007","63","6","m246","m248","10.1107/S0108270107020100","","","0.71073","MoKα","","0.0515","0.0363","","","0.0751","0.0806","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015984","6.2254","0.0002","10.7538","0.0003","15.3703","0.0006","98.214","0.001","93.37","0.001","101.247","0.002","994.89","0.06","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(cyclohexane-1,1'-diyl)diphenol‒3-chlorophenol (1/1)","","- C24 H25 Cl O3 -","- C24 H25 Cl O3 -","- C48 H50 Cl2 O6 -","2","1","GD3095","Luigi R. Nassimbeni; Hong Su","Inclusion of chlorophenols by 4,4'-(cyclohexane-1,1-diyl)diphenol: structures and kinetics of decomposition","Acta Crystallographica Section C","2007","63","6","o319","o322","10.1107/S0108270107013352","","","0.71073","MoKα","","0.0792","0.045","","","0.0953","0.1089","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015985","6.2593","0.0002","10.8408","0.0003","15.6476","0.0006","99.705","0.001","92.366","0.001","105.376","0.002","1004.99","0.06","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","4,4'-(cyclohexane-1,1'-diyl)diphenol‒4-chlorophenol (1/1)","","- C24 H25 Cl O3 -","- C24 H25 Cl O3 -","- C48 H50 Cl2 O6 -","2","1","GD3095","Luigi R. Nassimbeni; Hong Su","Inclusion of chlorophenols by 4,4'-(cyclohexane-1,1-diyl)diphenol: structures and kinetics of decomposition","Acta Crystallographica Section C","2007","63","6","o319","o322","10.1107/S0108270107013352","","","0.71073","MoKα","","0.0932","0.047","","","0.1001","0.1185","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015986","15.711","0.007","15.711","0.007","5.792","0.002","90","","90","","120","","1238.1","0.9","298","2","298","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","tripivaloylmethane","4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","- C16 H28 O3 -","- C16 H28 O3 -","- C48 H84 O9 -","3","0.166667","GD3098","Branko Kaitner; Vladimir Stilinović","Conformational enantiomeric disorder in tripivaloylmethane","Acta Crystallographica Section C","2007","63","6","o353","o354","10.1107/S0108270107012474","","","0.71073","MoKα","","","0.0749","","","","0.2339","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015987","7.4829","0.0009","8.4881","0.001","10.9267","0.001","67.172","0.009","88.971","0.008","67.092","0.008","581.93","0.13","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Poly[[μ~4~-4,4'-bipyridazine-μ~5~-sulfato-disilver(I)] monohydrate]","","- C8 H8 Ag2 N4 O5 S -","- C8 H8 Ag2 N4 O5 S -","- C16 H16 Ag4 N8 O10 S2 -","2","1","GD3101","Domasevitch, Konstantin V.; Gural'skiy, Il'ya A.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.","Silver(I) sulfate coordination polymers with 4,4'-bipyridazine and pyridazino[4,5-<i>d</i>]pyridazine","Acta Crystallographica Section C","2007","63","6","m259","m263","10.1107/S0108270107021154","","","0.71073","MoKα","","0.0324","0.0278","","","0.072","0.0733","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015988","8.3733","0.0002","8.779","0.0002","8.9006","0.0003","85.927","0.001","74.334","0.002","68.816","0.001","587.14","0.03","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua-μ~4~-pyridazino[4,5-d]pyridazine-μ~3~-sulfato-disilver(I)] monohydrate]","","- C6 H8 Ag2 N4 O6 S -","- C6 H8 Ag2 N4 O6 S -","- C12 H16 Ag4 N8 O12 S2 -","2","1","GD3101","Domasevitch, Konstantin V.; Gural'skiy, Il'ya A.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.","Silver(I) sulfate coordination polymers with 4,4'-bipyridazine and pyridazino[4,5-<i>d</i>]pyridazine","Acta Crystallographica Section C","2007","63","6","m259","m263","10.1107/S0108270107021154","","","0.71073","MoKα","","0.0254","0.0224","","","0.0528","0.0542","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015989","17.418","0.003","13.802","0.0017","14.982","0.006","90","","91.9","0.05","90","","3599.7","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2- ylidene]dichlorido(triphenylphosphine-κP)palladium(II)","","- C39 H41 Cl2 N2 P Pd -","- C39 H41 Cl2 N2 P Pd -","- C156 H164 Cl8 N8 P4 Pd4 -","4","1","GD3106","Sevinçek, Resul; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; García-Granda, Santiago","<i>trans</i>-[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2007","63","6","m277","m279","10.1107/S0108270107021622","","","0.71073","MoKα","","0.0845","0.0467","","","0.1395","0.1611","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015990","8.7124","0.0006","9.0668","0.0006","11.986","0.0008","84.085","0.001","82.476","0.001","87.554","0.001","933.26","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)","","- C15 H11 Au I3 N3 Pt -","- C15 H11 Au I3 N3 Pt -","- C30 H22 Au2 I6 N6 Pt2 -","2","1","GG3082","Angle, Christina S.; Woolard, Kathryn J.; Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Metallophilic interactions in iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)","Acta Crystallographica Section C","2007","63","6","m231","m234","10.1107/S0108270107015843","","","0.71073","MoKα","","0.0265","0.0259","","","0.0645","0.0651","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015991","21.585","0.008","14.573","0.004","16.523","0.005","90","","126.013","0.01","90","","4204","2","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Tris(thianthrenediium) bis(dodecamethylcarba-closo-dodecaborate) dichloromethane tetrasolvate","","- C66 H104 B22 Cl8 S6 -","- C66 H104 B22 Cl8 S6 -","- C132 H208 B44 Cl16 S12 -","2","0.25","GG3084","Rosokha, Sergiy V.; Lu, Jianjiang; Rosokha, Tetyana Y.; Kochi, Jay K.","Tris(thianthrene)(2+) bis(dodecamethylcarba-<i>closo</i>-dodecaborate) dichloromethane tetrasolvate: a crossed triple-decker π-trimer dication","Acta Crystallographica Section C","2007","63","6","o347","o349","10.1107/S0108270107018136","","","0.71073","MoKα","","0.056","0.0448","","","0.1328","0.1393","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015992","11.3324","0.0015","11.3324","0.0015","10.894","0.002","90","","90","","90","","1399","0.4","110","","110","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","","- C28 H36 Cl2 Cu N4 -","- C28 H36 Cl2 Cu N4 -","- C56 H72 Cl4 Cu2 N8 -","2","0.125","GZ3084","Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R.","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","Acta Crystallographica Section C","2007","63","6","m238","m239","10.1107/S0108270107018471","","","0.71073","MoKα","","0.044","0.03","","","0.075","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015993","7.633","0.0015","8.7","0.0017","11.174","0.002","107.86","0.02","96.556","0.007","94.816","0.006","696.1","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","Poly[propylene-1,3-diammonium [tetra-μ~3~-oxo-hexaoxotrimolybdenum(VI)] dihydrate]","","- C3 H16 Mo3 N2 O12 -","- C3 H16 Mo3 N2 O12 -","- C6 H32 Mo6 N4 O24 -","2","1","GZ3086","Cong Deng; Bi-Zhou Lin; Guo-Hua Han; Ling Bai","Poly[propane-1,3-diammonium [tetra-μ~3~-oxo-hexaoxotrimolybdenum(VI)] dihydrate]","Acta Crystallographica Section C","2007","63","6","m256","m258","10.1107/S0108270107021051","","","0.71073","MoKα","","0.0465","0.0463","","","0.1361","0.1362","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015994","9.4182","0.0015","6.8889","0.0011","9.7931","0.0015","90","","109.448","0.002","90","","599.13","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","HJ3036","Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate","Acta Crystallographica Section C","2007","63","6","m280","m282","10.1107/S0108270107020914","","","0.71073","MoKα","","0.0429","0.0375","","","0.109","0.113","","","","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015995","7.777","0.002","27.434","0.006","13.965","0.003","90","","103.254","0.003","90","","2900.1","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^N,N')copper(I) tetrafluoroborate","","- C28 H24 B Cu F4 N4 O8 -","- C28 H24 B Cu F4 N4 O8 -","- C112 H96 B4 Cu4 F16 N16 O32 -","4","1","HJ3036","Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson","Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate","Acta Crystallographica Section C","2007","63","6","m280","m282","10.1107/S0108270107020914","","","0.71073","MoKα","","0.0925","0.0543","","","0.1201","0.1372","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015996","10.2192","0.0005","18.3059","0.0013","20.9425","0.0012","90","","94.089","0.004","90","","3907.8","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,6-Bis{1-[4- (dimethylamino)phenylimino]ethyl}pyridine)dichlorido(triphenylphosphine- κP)ruthenium(II)","","- C43 H44 Cl2 N5 P Ru -","- C43 H44 Cl2 N5 P Ru -","- C172 H176 Cl8 N20 P4 Ru4 -","4","1","HJ3041","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(2,6-Bis{1-[4-(dimethylamino)phenylimino]ethyl}pyridine)dichlorido(triphenylphosphine-κ<i>P</i>)ruthenium(II): a zigzag chain of fused centrosymmetric <i>R</i>^2^~2~(12) rings","Acta Crystallographica Section C","2007","63","6","m264","m266","10.1107/S0108270107021610","","","0.71073","MoKα","","0.1315","0.0524","","","0.061","0.0747","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015997","10.827","0.002","14.932","0.003","15.486","0.003","90","","110.07","0.03","90","","2351.6","0.9","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-<i>N</i>-(2-pyridyl)benzenesulfonamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C88 H88 N24 O16 S8 -","8","2","JZ3060","Gelbrich, Thomas; Threlfall, Terence L.; Bingham, Ann L.; Hursthouse, Michael B.","Polymorph VI of sulfapyridine: interpenetrating two- and three-dimensional hydrogen-bonded nets formed from two tautomeric forms","Acta Crystallographica Section C","2007","63","6","o323","o326","10.1107/S0108270107017817","","","0.71073","MoKα","","0.1315","0.0554","","","0.1117","0.1295","","","","","","0.904","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015998","7.358","0.007","9.377","0.003","10.758","0.004","97.53","0.03","97.09","0.03","93.96","0.05","727.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-fluorophenyl)-1,5,7-trimethyl-1,2,3,4- tetrahydropyrido[2,3-d]pyrimidine-2,4-dione","","- C16 H14 F N3 O2 -","- C16 H14 F N3 O2 -","- C32 H28 F2 N6 O4 -","2","1","LN3041","Patel, Urmila H.; Patel, Pinal D.; Thakker, Neha","C—H···O hydrogen-bonding and C—H···π interactions in 3-(4-fluorophenyl)-1,5,7-trimethyl-1,2,3,4-tetrahydropyrido[2,3-<i>d</i>]pyrimidine-2,4-dione","Acta Crystallographica Section C","2007","63","6","o337","o339","10.1107/S0108270107017155","","","0.71073","MoKα","","0.0843","0.0535","","","0.1465","0.1671","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015999","12.2793","0.0016","9.7588","0.0012","18.422","0.002","90","","97.444","0.002","90","","2188.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C84 H156 N12 O12 -","4","1","LN3045","Zeller, Matthias; Pett, Virginia B.; Haynes, LeRoy W.","Ring opening of pyridines: the pseudo-<i>cis</i> and pseudo-<i>trans</i> isomers of tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","Acta Crystallographica Section C","2007","63","6","o343","o346","10.1107/S0108270107019506","","","0.71073","MoKα","","0.0818","0.0686","","","0.1691","0.1746","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016000","9.7894","0.0009","18.3872","0.0016","12.2327","0.0011","90","","95.894","0.002","90","","2190.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","","- C21 H39 N3 O3 -","- C21 H39 N3 O3 -","- C84 H156 N12 O12 -","4","1","LN3045","Zeller, Matthias; Pett, Virginia B.; Haynes, LeRoy W.","Ring opening of pyridines: the pseudo-<i>cis</i> and pseudo-<i>trans</i> isomers of tetra-<i>n</i>-butylammonium 4-nitro-5-oxo-2-pentenenitrilate","Acta Crystallographica Section C","2007","63","6","o343","o346","10.1107/S0108270107019506","","","0.71073","MoKα","","0.0646","0.0579","","","0.1326","0.1358","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016001","6.126","0.002","8.941","0.006","12.02","0.004","90","","99.68","0.03","90","","649","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","LN3052","Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva","A new γ-polymorph of chlorpropamide: 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","Acta Crystallographica Section C","2007","63","6","o355","o357","10.1107/S010827010701952X","","","0.71073","MoKα","","0.1631","0.0753","","","0.1267","0.1631","","","","","","1.174","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016002","12.649","0.003","16.258","0.005","8.756","0.003","90","","90","","90","","1800.6","0.9","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(2-hydroxybenzohydroxamato)dioxouranium(VI) bihydrate","catena-poly[[[dioxouranium(VI)]-bis(μ-2-hydroxybenzohydroxamato)] dihydrate]","","- C14 H16 N2 O10 U -","- C14 H16 N2 O10 U -","- C56 H64 N8 O40 U4 -","4","0.5","LN3054","Roberto Centore; Gaetano De Tommaso; Mauro Iuliano; Angela Tuzi","An organouranium coordination polymer containing infinite metal oxide chains","Acta Crystallographica Section C","2007","63","6","m253","m255","10.1107/S0108270107019798","","","0.71073","MoKα","","0.0998","0.0364","","","0.0622","0.0743","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016003","8.628","0.001","13.516","0.001","13.695","0.001","90","","99.978","0.006","90","","1572.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diaquabis(imidazole)(orotate)cobalt(II)","mer-diaquabis(1H-imidazole-κN^3^)[1,2,3,6-tetrahydro-2,6-dioxopyrimidine- 4-carboxylato(2-)]cobalt(II)","","- C11 H14 Co N6 O6 -","- C11 H14 Co N6 O6 -","- C44 H56 Co4 N24 O24 -","4","1","SF3031","Yeşilel, Okan Zafer; Ölmez, Halis; Arıcı, Cengiz","<i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)[orotato(2‒)]cobalt(II)","Acta Crystallographica Section C","2007","63","6","m240","m242","10.1107/S0108270107018021","","","0.71073","MoKα","","0.0426","0.0377","","","0.1025","0.1054","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016004","7.862","0.005","8.869","0.005","9.479","0.005","90","","100.25","0.03","90","","650.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","violuric acid monohydrate","pyrimidine-2,4,5,6(1H,3H)-tetrone monohydrate","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","1","SF3032","Guille, Kathy; Harrington, Ross W.; Clegg, William","Violuric acid monohydrate: a second polymorph with more extensive hydrogen bonding","Acta Crystallographica Section C","2007","63","6","o327","o329","10.1107/S010827010701743X","","","0.71073","MoKα","","0.0785","0.045","","","0.104","0.1175","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016005","12.7929","0.0012","13.4006","0.0012","14.4847","0.0014","90","","90","","90","","2483.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetraphenylphosphonium copper(I) dicyanamide","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","","- C28 H20 Cu N6 P -","- C28 H20 Cu N6 P -","- C112 H80 Cu4 N24 P4 -","4","1","SF3036","Schlueter, John A.; Geiser, Urs","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","Acta Crystallographica Section C","2007","63","6","m235","m237","10.1107/S0108270107015387","","","0.71073","MoKα","","0.0559","0.0388","","","0.0772","0.0827","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016006","11.5681","0.0003","12.0702","0.0003","13.512","0.002","90","","90","","90","","1886.7","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,17-Dioxoandrost-4-en-4-yl acetate","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","SK3116","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Tavares da Silva, E. J.","3,17-Dioxoandrost-4-en-4-yl acetate","Acta Crystallographica Section C","2007","63","6","o330","o331","10.1107/S0108270107015533","","","1.5418","CuKα","","0.0489","0.0291","","","0.0748","0.0884","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016007","8.2779","0.0003","8.4719","0.0006","15.1413","0.0012","90","","95.534","0.006","90","","1056.9","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3-Oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione","","- C13 H10 O4 -","- C13 H10 O4 -","- C52 H40 O16 -","4","1","SK3122","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(3-Oxo-1,3-dihydroisobenzofuran-1-ylidene)pentane-2,4-dione","Acta Crystallographica Section C","2007","63","6","o332","o333","10.1107/S0108270107017866","","","0.71073","MoKα","","0.0713","0.0484","","","0.1194","0.1388","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016008","7.901","0.0009","12.7844","0.0013","12.9683","0.0014","91.895","0.002","102.655","0.003","92.167","0.003","1276","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1^9^,14-dioxa-1(2,10)-anthracena-2(1,2)-benzenacyclotetradecaphane- 1^7^,3(5^9^H)-dione","","- C31 H32 O5 -","- C31 H32 O5 -","- C62 H64 O10 -","2","1","SQ3058","Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Skene, W. G.","A fluoresceinophane: 1^9^,4,16-trioxa-1(2,10)-anthracena-2(1,2)-benzenacyclohexadecaphane-1^7^,3(1^9^<i>H</i>)-dione","Acta Crystallographica Section C","2007","63","6","o350","o352","10.1107/S0108270107008566","","","1.54178","CuKα","","0.0456","0.0413","","","0.125","0.1291","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016009","9.2104","0.0018","9.4058","0.0019","10.225","0.002","75","0.03","75.5","0.03","75.15","0.03","810.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[ethylenediammonium [[aquacopper(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato] dihydrate]","","- C12 H18 Cu N2 O11 -","- C12 H18 Cu N2 O11 -","- C24 H36 Cu2 N4 O22 -","2","1","SQ3073","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan","Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes","Acta Crystallographica Section C","2007","63","6","m273","m276","10.1107/S0108270107019853","","","0.71073","MoKα","","0.0283","0.0262","","","0.0712","0.0722","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016010","11.432","0.002","18.484","0.004","7.4981","0.0015","90","","94.8","0.03","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","poly[ethylenediammonium [copper(II)-μ~4~-benzene-1,2,4,5-tetracarboxylato] 2.5-hydrate]","","- C12 H17 Cu N2 O10.5 -","- C12 H17 Cu N2 O10.5 -","- C48 H68 Cu4 N8 O42 -","4","0.5","SQ3073","Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan","Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes","Acta Crystallographica Section C","2007","63","6","m273","m276","10.1107/S0108270107019853","","","0.71073","MoKα","","0.0524","0.0326","","","0.075","0.0792","","","","","","0.978","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016011","4.6982","0.0006","9.9532","0.0013","25.719","0.004","90","","90","","90","","1202.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrobenzoyl)-N'-phenylhydrazine","N-anilino-4-nitrobenzamide","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","SQ3075","Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>-(4-Nitrobenzoyl)-<i>N</i>'-phenylhydrazine: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2007","63","6","o334","o336","10.1107/S0108270107020628","","","0.71073","MoKα","","0.0643","0.0535","","","0.135","0.1485","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016012","13.0552","0.0018","7.0852","0.001","6.7287","0.0013","90","","98.176","0.014","90","","616.07","0.17","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","biphenyl-4,4-diphosphonic acid","biphenyl-4,4'-diphosphonic acid","","- C12 H12 O6 P2 -","- C12 H12 O6 P2 -","- C24 H24 O12 P4 -","2","0.5","AV3089","Próchniak, G.; Zoń, J.; Daszkiewicz, M.; Pietraszko, A.; Videnova-Adrabińska, V.","Hydrogen-bonded network in biphenyl-4,4'-diphosphonic acid","Acta Crystallographica Section C","2007","63","7","o434","o436","10.1107/S0108270107025152","","","0.71073","MoKα","","0.0598","0.0358","","","0.0789","0.0877","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016013","30.516","0.005","10.8142","0.0016","17.35","0.003","90","","111.795","0.002","90","","5316.3","1.5","130","","130","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato]- 4,4'-bipyridyl 1.5-solvate hemihydrate]","","- C23 H26 N3 O12.5 S Tm -","- C23 H26 N3 O12.5 S Tm -","- C184 H208 N24 O100 S8 Tm8 -","8","1","AV3091","Yu-Ling Wang; Qing-Yan Liu; Li Xu","<i>catena</i>-Poly[[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato] 4,4'-bipyridyl 1.5-solvate hemihydrate]","Acta Crystallographica Section C","2007","63","7","m304","m307","10.1107/S0108270107022470","","","0.71073","MoKα","","0.0249","0.0226","","","0.05","0.0512","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016014","8.2566","0.0014","20.542","0.003","8.3351","0.0014","90","","102.85","0.004","90","","1378.3","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[diazidobis[μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ^2^N^4^:N^4'^]nickel(II)]","","- C24 H24 N18 Ni -","- C24 H24 N18 Ni -","- C48 H48 N36 Ni2 -","2","0.5","AV3092","Li-Yan Wang; Yan-Fen Peng; Yu-Ping Zhang; Bao-Long Li; Yong Zhang","A novel two-dimensional nickel(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene and azide ligands","Acta Crystallographica Section C","2007","63","7","m297","m299","10.1107/S0108270107021932","","","0.71073","MoKα","","0.0464","0.0403","","","0.0985","0.1024","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016015","4.7449","0.0006","8.2814","0.0008","10.8351","0.0013","90","","92.941","0.01","90","","425.2","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium gallium hydrogen phosphate fluoride","dipotassium gallium {hydrogen bis[hydrogenphosphate(V)]} difluoride","","- F2 Ga H3 K2 O8 P2 -","- F2 Ga H3 K2 O8 P2 -","- F4 Ga2 H6 K4 O16 P4 -","2","0.5","BC3042","Filaretov, Andrey; Schenk, Kurt J.; Rusakov, Dmitriy; Chapuis, Gervais","Potassium gallium hydrogenphosphate fluoride, K~2~Ga[H(HPO~4~)~2~]F~2~","Acta Crystallographica Section C","2007","63","7","i54","i56","10.1107/S0108270107025437","","","0.71073","MoKα","","0.0168","0.0156","","","0.0319","0.0333","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016016","4.9495","0.0006","5.6949","0.0007","14.1692","0.0017","90","","90","","90","","399.39","0.08","293","","293","","","","","","","","","3","P n a b","-P 2bc 2n","60","cadmium vanadate","cadmium divanadium hexaoxide","","- Cd O6 V2 -","- Cd O6 V2 -","- Cd4 O24 V8 -","4","0.5","BC3043","Belik, Alexei A.; Mironov, Andrei V.; Shpanchenko, Roman V.; Takayama-Muromachi, Eiji","The high-pressure form of cadmium vanadate, CdV~2~O~6~","Acta Crystallographica Section C","2007","63","7","i37","i39","10.1107/S0108270107017623","","","0.71069","MoKα","","0.0162","0.0162","","","0.0282","0.0282","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016017","13.1857","0.0005","13.1857","0.0005","13.1857","0.0005","90","","90","","90","","2292.5","0.15","173","2","173","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","lead cadmium vanadate garnet","lead cadmium vanadium oxide","","- Cd2 O12 Pb2.63 V3 -","- Cd2 O12 Pb2.625 V3 -","- Cd16 O96 Pb21 V24 -","8","0.0833333","BC3044","Alexander A. Tsirlin; Evgeny V. Dikarev; Yuri A. Velikodny; Roman V. Shpanchenko; Evgeny V. Antipov","Pb~2.63~Cd~2~V~3~O~12~, a cation-deficient garnet-type vanadate","Acta Crystallographica Section C","2007","63","7","i40","i42","10.1107/S0108270107021233","","","0.71073","MoKα","","0.0304","0.0225","","","0.0554","0.0582","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016018","10.5834","0.0003","11.3803","0.0003","11.6367","0.0003","108.682","0.004","103.775","0.002","111.674","0.003","1128.19","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","sodium decavanadate(V) tetrahydrate","poly[[octa-μ-aqua-dodecaaqua-μ-octacosaoxidodecavanadato-hexasodium] tetrahydrate]","","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","1","0.5","BC3048","Guo, Hong-Xu; Yao, Zhong-Liang","Na~6~(H~2~O)~20~(V~10~O~28~)·4H~2~O, a novel polyvanadate(V) with a three-dimensional framework","Acta Crystallographica Section C","2007","63","7","i51","i53","10.1107/S0108270107025395","","","0.7107","MoKα","","0.0415","0.0331","","","0.0975","0.1039","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016019","9.066","0.0008","9.3077","0.0009","15.921","0.002","86.731","0.001","83.14","0.001","87.931","0.001","1331.1","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","poly[[[μ~2~-1,3-bis(1H-benzimidazol-2-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-terephthalato- κ^2^<i>O</i>:<i>O</i>')zinc(II)] ethanol solvate]","","- C30 H24 N4 O5 Zn -","- C30 H24 N4 O5 Zn -","- C60 H48 N8 O10 Zn2 -","2","1","BG3037","Meng, Fa-Yan; Liu, Xu-Qing; Ng, Seik Weng","The honeycomb network structure of poly[[[μ~2~-1,3-bis(1<i>H</i>-benzimidazol-2-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-terephthalato-κ^2^<i>O</i>:<i>O</i>')zinc(II)] ethanol solvate]","Acta Crystallographica Section C","2007","63","7","m341","m342","10.1107/S0108270107027436","","","0.71073","MoKα","","0.045","0.035","","","0.092","0.098","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016020","9.9239","0.0011","16.5696","0.0019","13.9248","0.0016","90","","103.229","0.002","90","","2229","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-hydroxo-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine- κ^3^N',N'',N''']copper(II)} bis(perchlorate)","","- C44 H52 Cl2 Cu2 N6 O10 -","- C44 H52 Cl2 Cu2 N6 O10 -","- C88 H104 Cl4 Cu4 N12 O20 -","2","0.5","BG3038","García, Ana María; Manzur, Jorge; Vega, Andrés","Di-μ-hydroxido-bis{[bis(6-methyl-2-pyridylmethyl)(2-phenylethyl)amine-κ^3^<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II)} bis(perchlorate)","Acta Crystallographica Section C","2007","63","7","m335","m337","10.1107/S0108270107025929","","","0.71073","MoKα","","0.0734","0.0514","","","0.1227","0.1366","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016021","9.7668","0.0008","10.8005","0.0009","12.0272","0.001","68.417","0.005","68.415","0.005","84.837","0.006","1095.51","0.17","153","2","153","1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3'-[2-(anthracen-9-yl)ethenyl]-2,2':5',2''-terthiophene","","- C28 H18 S3 -","- C28 H18 S3 -","- C56 H36 S6 -","2","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.084","0.0536","","","0.1262","0.1397","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016022","9.7382","0.0011","11.7143","0.0012","11.8447","0.0012","61.244","0.008","78.532","0.008","72.307","0.007","1126.3","0.2","153","1","153","1","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-3'-[2-(1-pyrenyl)ethenyl]-2,2':5',2''-terthiophene","","- C30 H18 S3 -","- C30 H18 S3 -","- C60 H36 S6 -","2","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.0584","0.0434","","","0.0961","0.1033","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016023","18.934","0.001","27.268","0.005","7.5192","0.0007","90","","91.84","0.01","90","","3880.1","0.8","153","1","153","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3'-[2-(3,4-dimethoxyphenyl)ethenyl]-2,2':5',2''-terthiophene","","- C22 H18 O2 S3 -","- C22 H18 O2 S3 -","- C176 H144 O16 S24 -","8","2","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.0648","0.0442","","","0.0892","0.096","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016024","9.341","0.001","36.688","0.003","10.097","0.002","90","","115.36","0.01","90","","3126.8","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>,<i>E</i>)-1,4-bis[2-(2,2':5',2''-terthiophen-3'-yl)ethenyl]-2,5- dimethoxybenzene","","- C36 H26 O2 S6 -","- C36 H26 O2 S6 -","- C144 H104 O8 S24 -","4","1","DN3048","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes","Acta Crystallographica Section C","2007","63","7","o400","o404","10.1107/S0108270107024699","","","0.71073","MoKα","","0.1433","0.071","","","0.1227","0.1394","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016025","16.726","0.0004","5.1384","0.0001","14.0045","0.0005","90","","93.1793","0.0013","90","","1201.76","0.06","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Methoxy-3-nitrobenzylideneamino)guanidinium chloride","","- C9 H12 Cl N5 O3 -","- C9 H12 Cl N5 O3 -","- C36 H48 Cl4 N20 O12 -","4","1","FA3076","Ring, Joshua R.; Parkin, Sean; Crooks, Peter A.","(4-Methoxy-3-nitrobenzylideneamino)guanidinium chloride","Acta Crystallographica Section C","2007","63","7","o392","o394","10.1107/S0108270107023475","","","0.71073","MoKα","","0.055","0.041","","","0.102","0.111","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016026","11.9893","0.0003","17.348","0.0004","8.6266","0.0002","90","","90","","90","","1794.25","0.07","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","bis[dicyanidomercury(II)] pyrene solvate","","- C20 H10 Hg2 N4 -","- C20 H10 Hg2 N4 -","- C80 H40 Hg8 N16 -","4","0.5","FA3083","Gervasio, Giuliana; Marabello, Domenica","Mercuric cyanide as a receptor of pyrene","Acta Crystallographica Section C","2007","63","7","m318","m320","10.1107/S0108270107023463","","","0.71073","MoKα","","0.0239","0.0211","","","0.0432","0.044","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016027","11.3391","0.0006","11.3391","0.0006","4.6371","0.0002","90","","90","","90","","596.22","0.05","295","2","","","","","","","","","","3","P -4 b 2","P -4 -2ab","117","","dicalcium heptagermanate","","- Ca2 Ge7 O16 -","- Ca2 Ge7 O16 -","- Ca4 Ge14 O32 -","2","0.25","FA3088","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Dicalcium heptagermanate Ca~2~Ge~7~O~16~ revised","Acta Crystallographica Section C","2007","63","7","i47","i50","10.1107/S010827010702269X","","","0.71073","MoKα","","","0.0227","","","","0.0568","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016028","9.3231","0.0017","26.611","0.006","18.218","0.004","90","","91.596","0.007","90","","4518.1","1.6","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[1L-3,4-Bis(O-diphenylphosphino)-1,2,5,6-tetra-O-methyl-chiro-inositol- κ^2^P,P'][η^4^-(Z,Z)-cycloocta-1,5-diene]rhodium(I) tetrafluoroborate chloroform solvate","","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C43 H51 B Cl3 F4 O6 P2 Rh -","- C172 H204 B4 Cl12 F16 O24 P8 Rh4 -","4","2","FA3095","Gainsford, Graeme J.; Lensink, Cees; Falshaw, Andrew F.","[1<small>L</small>-3,4-Bis-<i>O</i>-(diphenylphosphino)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol-κ^2^<i>P</i>,<i>P</i>'][η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]rhodium(I) tetrafluoridoborate chloroform solvate","Acta Crystallographica Section C","2007","63","7","m331","m334","10.1107/S0108270107026170","","","0.71073","MoKα","","0.0769","0.0635","","","0.1419","0.1502","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016029","14.8424","0.0007","11.6735","0.0005","22.0589","0.001","90","","99.416","0.001","90","","3770.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","κ^3^-(^tBu^PCPIrH)-(μ~2~Cl)~2~-η^4^-Ir(COD)","[2,6-bis(di-tert-butylphosphino)phenyl-1κ^3^P,C^1^,P']di-μ-chlorido- 1:2κ^4^Cl:Cl-(2η^4^-cycloocta-2,5-diene)diiridium(I,III) hexane hemisolvate","","- C35 H63 Cl2 Ir2 P2 -","- C35 H63 Cl2 Ir2 P2 -","- C140 H252 Cl8 Ir8 P8 -","4","1","GA3042","Pelczar, Elizabeth M.; Emge, Thomas J.; Goldman, Alan S.","A mixed-valence chloride-bridged (pincer)Ir^III^‒(diene)Ir^I^ complex","Acta Crystallographica Section C","2007","63","7","m323","m326","10.1107/S0108270107022378","","","0.71073","MoKα","","0.0317","0.0263","","","0.0603","0.0622","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016030","9.3064","0.0002","25.5909","0.0009","13.0271","0.0004","90","","90.306","0.002","90","","3102.48","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Bis(5-<i>tert</i>-butyl-2-hydroxy-3-methylbenzyl)-<i>N</i>- (6-hydroxyhexyl)ammonium chloride monohydrate","","- C30 H50 Cl N O4 -","- C30 H50 Cl N O4 -","- C120 H200 Cl4 N4 O16 -","4","1","GA3048","Sopo, Harri; Sillanpää, Reijo","Bis(5-<i>tert</i>-butyl-2-hydroxy-3-methylbenzyl)(6-hydroxyhexyl)ammonium chloride monohydrate, an anion receptor complex","Acta Crystallographica Section C","2007","63","7","o386","o388","10.1107/S0108270107023797","","","0.71073","MoKα","","0.0784","0.0495","","","0.1076","0.1204","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016031","12.937","0.005","13.186","0.005","13.815","0.006","87.3","0.005","70.756","0.005","68.719","0.005","2066.2","1.4","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","Octakis(pyrazol-1-ylmethyl)biphenylene ethanol solvate","","- C46 H46 N16 O -","- C46 H46 N16 O -","- C92 H92 N32 O2 -","2","1","GA3053","Steel, Peter J.; McMorran, David A.","Octasubstituted biphenylenes: is there a favoured conformation?","Acta Crystallographica Section C","2007","63","7","o382","o385","10.1107/S0108270107022779","","","0.71073","MoKα","","0.0802","0.0503","","","0.1131","0.1264","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016032","4.7805","0.001","10.303","0.002","21.678","0.005","88.886","0.004","87.595","0.003","83.239","0.004","1059.2","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Adeninium phenylacetate phenylacetic acid hydrate","adeninium phenylacetate phenylacetic acid monohydrate","","- C21 H23 N5 O5 -","- C21 H23 N5 O5 -","- C42 H46 N10 O10 -","2","1","GA3054","Balasubramanian Sridhar; Krishnan Ravikumar","Supramolecular hydrogen-bonded networks in adeninium phenylacetate phenylacetic acid monohydrate and adeninium 3-carboxypropionate monohydrate","Acta Crystallographica Section C","2007","63","7","o415","o418","10.1107/S0108270107024493","","","0.71073","MoKα","","0.0636","0.0464","","","0.12","0.1307","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016033","9.539","0.003","17.149","0.006","7.45","0.003","90","","100.503","0.005","90","","1198.3","0.7","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Adeninium succinate hydrate","adeninium 3-carboxypropionate monohydrate","","- C9 H11 N5 O5 -","- C9 H11 N5 O5 -","- C36 H44 N20 O20 -","4","1","GA3054","Balasubramanian Sridhar; Krishnan Ravikumar","Supramolecular hydrogen-bonded networks in adeninium phenylacetate phenylacetic acid monohydrate and adeninium 3-carboxypropionate monohydrate","Acta Crystallographica Section C","2007","63","7","o415","o418","10.1107/S0108270107024493","","","0.71073","MoKα","","0.0461","0.0438","","","0.1199","0.124","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016034","8.9097","0.0008","11.0904","0.0008","12.7489","0.0014","100.643","0.005","109.694","0.004","94.49","0.003","1152.13","0.19","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","(η^5^-Cyclopentadienyl)(3-hydroxy-3-methylbut-1-ynyl- κC^1^)(triphenylphosphine-κP)nickel(II)","","- C28 H27 Ni O P -","- C28 H27 Ni O P -","- C56 H54 Ni2 O2 P2 -","2","1","GA3055","McAdam, C. John; Robinson, Brian H.; Simpson, Jim","(η^5^-Cyclopentadienyl)(3-hydroxy-3-methylbut-1-ynyl-κ<i>C</i>^1^)(triphenylphosphine-κ<i>P</i>)nickel(II): novel O—H···π bonding in an organometallic molecule","Acta Crystallographica Section C","2007","63","7","m338","m340","10.1107/S0108270107026522","","","0.71073","MoKα","","0.073","0.0601","","","0.1691","0.1855","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016035","4.2629","0.0001","9.5372","0.0005","13.9639","0.0009","102.562","0.005","91.055","0.007","101.331","0.007","542.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","cytosine‒5-fluorouracil‒water (1/1/1)","4-amino-2-hydroxypyrimidine‒2,4-dihydroxy-5-fluoropyrimidine‒water (1/1/1)","","- C8 H10 F N5 O4 -","- C8 H8 F N5 O4 -","- C16 H16 F2 N10 O8 -","2","1","GD3108","Gustavo Portalone; Marcello Colapietro","The 1:1 complex of cytosine and 5-fluorouracil monohydrate revisited","Acta Crystallographica Section C","2007","63","7","o423","o425","10.1107/S0108270107026649","","","0.71069","MoKα","","0.1183","0.0467","","","0.1424","0.1485","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016036","31.0164","0.0003","8.5897","0.0011","15.1952","0.0006","90","","90","","90","","4048.3","0.5","110","2","110","2","","","","","","","","4","C m c a","-C 2ac 2","64","porphyrin-5^4^,10^4^,15^4^,20^4^-tetrabenzoic acid","meso-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin","","- C48 H30 N4 O8 -","- C48 H30 N4 O8 -","- C192 H120 N16 O32 -","4","","GD3109","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Interwoven hydrogen-bonded network assembly and supramolecular isomerism of <i>meso</i>-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin as its dimethylformamide solvate","Acta Crystallographica Section C","2007","63","7","o371","o373","10.1107/S0108270107020975","","","0.71073","MoKα","","0.0745","0.0586","","","0.1322","0.1383","","","","","","1.128","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016037","20.0518","0.0013","7.3138","0.0004","15.251","0.001","90","","115.969","0.001","90","","2010.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid. ?","","- C8 H28 As3 N O12 -","- C8 H28 As3 N O12 -","- C32 H112 As12 N4 O48 -","4","0.5","GD3110","Lee, Clare; Harrison, William T. A.","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid: hydrogen-bonded networks containing dihydrogenarsenate anions and neutral arsenic acid molecules","Acta Crystallographica Section C","2007","63","7","m308","m311","10.1107/S0108270107023967","","","0.71073","MoKα","","0.0616","0.0308","","","0.0593","0.0657","","","","","","0.861","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016038","8.1285","0.0003","22.2104","0.0009","10.0056","0.0004","90","","107.637","0.001","90","","1721.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid","","- C6 H21 As3 N2 O12 -","- C6 H21 As3 N2 O12 -","- C24 H84 As12 N8 O48 -","4","1","GD3110","Lee, Clare; Harrison, William T. A.","Tetraethylammonium dihydrogenarsenate bis(arsenic acid) and 1,4-diazoniabicyclo[2.2.2]octane bis(dihydrogenarsenate) arsenic acid: hydrogen-bonded networks containing dihydrogenarsenate anions and neutral arsenic acid molecules","Acta Crystallographica Section C","2007","63","7","m308","m311","10.1107/S0108270107023967","","","0.71073","MoKα","","0.0532","0.028","","","0.052","0.0561","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016039","11.2488","0.0005","14.6091","0.0007","10.6711","0.0005","90","","90","","90","","1753.63","0.14","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","cis-Dicarbonyl-cis-dichlorido-trans-bis(triphenylphosphine-κP)iridium(III) tetrafluoroborate","","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C38 H30 B Cl2 F4 Ir O2 P2 -","- C76 H60 B2 Cl4 F8 Ir2 O4 P4 -","2","0.5","GD3114","Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John","<i>cis</i>-Dicarbonyl-<i>cis</i>-dichlorido-<i>trans</i>-bis(triphenylphosphine-κ<i>P</i>)iridium(III) tetrafluoridoborate, formed by reaction of (cycloocta-1,5-diene)bis(triphenylphosphine)iridium tetrafluoridoborate with carbonyl fluoride in dichloromethane solution","Acta Crystallographica Section C","2007","63","7","m321","m322","10.1107/S0108270107025358","","","0.71073","MoKα","","0.0232","0.0222","","","0.0455","0.0458","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016040","11.882","0.007","15.518","0.005","20.637","0.008","90","","90","","90","","3805","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aquabis(μ~2~-isonicotinato-κ^3^N:O,O')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","","- C18 H15 Cd N4 O5 -","- C72 H60 Cd4 N16 O20 -","- C144 H120 Cd8 N32 O40 -","2","0.25","GD3116","Juan Granifo; Ricardo Baggio","Poly[[aquabis(μ~2~-isonicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","Acta Crystallographica Section C","2007","63","7","m327","m330","10.1107/S0108270107026698","","","0.71073","MoKα","","0.1573","0.0571","","","0.1446","0.1861","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016041","7.9749","0.0002","7.9205","0.0002","13.3152","0.0003","90","","90","","90","","841.06","0.04","291","0.3","291","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","dibromantin","1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione","","- C5 H6 Br2 N2 O2 -","- C5 H6 Br2 N2 O2 -","- C20 H24 Br8 N8 O8 -","4","0.5","GG3081","Kruszynski, Rafal","Short intermolecular N—Br···O=C contacts in 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione","Acta Crystallographica Section C","2007","63","7","o389","o391","10.1107/S0108270107013868","","","0.71073","MoKα","","0.018","0.0162","","","0.039","0.04","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016042","7.9604","0.0001","23.057","0.003","13.227","0.002","90","","90","","90","","2427.7","0.5","120","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^N,N)(<i>N</i>- phenylpyridine-2-carboxamideκ^2^N^1^,O)copper(II)","","- C26 H22 Cu N4 O4 -","- C26 H22 Cu N4 O4 -","- C104 H88 Cu4 N16 O16 -","4","1","GG3093","Gomes, Ligia; Low, John Nicolson; Valente, Mário A. D. C.; Freire, Cristina; Castro, Baltazar","Acetato(<i>N</i>-phenylpyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>)(<i>N</i>-phenylpyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","2007","63","7","m293","m296","10.1107/S0108270107023414","","","0.71073","MoKα","","0.0575","0.0349","","","0.0808","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016043","24.855","0.004","7.6825","0.0011","19.455","0.003","90","","118.824","0.002","90","","3254.6","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(2-hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1064","0.0549","","","0.1207","0.1393","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016044","8.25","0.002","9.889","0.003","12.272","0.003","108.697","0.004","90.973","0.005","90.594","0.005","948.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1319","0.0619","","","0.144","0.1793","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016045","5.5372","0.0008","23.144","0.003","15.131","0.002","90","","99.52","0.003","90","","1912.4","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3,4-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.1795","0.0864","","","0.1349","0.1667","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016046","10.5071","0.0003","20.3901","0.0006","8.728","0.0003","90","","102.39","0.002","90","","1826.34","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,5-dimethoxyphenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1<i>H</i>-1,5- benzodiazepine","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","GG3095","Escobar, Carlos A.; Donoso-Tauda, Oscar; Araya-Maturana, Ramiro; Vega, Andrés","4-(2-Hydroxyphenyl)-2-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine and the 2-(2,3-dimethoxyphenyl)-, 2-(3,4-dimethoxyphenyl)- and 2-(2,5-dimethoxyphenyl)-substituted derivatives","Acta Crystallographica Section C","2007","63","7","o426","o430","10.1107/S0108270107024420","","","0.71073","MoKα","","0.0506","0.0385","","","0.1108","0.1258","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016047","37.782","0.002","9.2996","0.0004","18.4055","0.0012","90","","93.067","0.005","90","","6457.6","0.6","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-Amino-3,5-diethyl-4<i>H</i>-1,2,4-triazole","","- C6 H12 N4 -","- C6 H12 N4 -","- C192 H384 N128 -","32","4","GZ3081","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","4-Amino-3,5-diethyl-4<i>H</i>-1,2,4-triazole at 100K: chains of edge-fused <i>R</i>~4~^4^(10) and <i>R</i>~4~^4^(20) rings","Acta Crystallographica Section C","2007","63","7","o431","o433","10.1107/S0108270107026339","","","0.71073","MoKα","","0.0508","0.0354","","","0.085","0.0908","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016048","7.8995","0.0008","9.5228","0.001","21.093","0.002","90","","90","","90","","1586.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,9,10,17,18-hexahydro-5H,11H-8,16,19-trioxa-5,11- diazadibenzo[a,g]cyclopentadecene","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.0261","0.0258","","","0.0708","0.071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016049","11.837","0.002","18.116","0.003","9.2565","0.0018","90","","109.485","0.005","90","","1871.3","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,7,9,10,12,13,20,21-octahydro-5H,14H-8,11,19,22-tetraoxa- 5,14-diazadibenzo[a,g]cyclooctadecene","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","0.5","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.035","0.0334","","","0.0889","0.0908","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016050","13.507","0.008","5.133","0.003","14.644","0.008","90","","112.336","0.009","90","","939.1","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6,7,9,10,17,18,20,21-octahydro-16H,22H-5,8,11,19-tetraoxa-16,22- diazadibenzo[a,j]cyclooctadecene 0.3-hydrate","","- C20 H26.608 N2 O4.304 -","- C20 H26.608 N2 O4.304 -","- C40 H53.216 N4 O8.608 -","2","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.1141","0.0532","","","0.0804","0.0954","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016051","13.8094","0.0007","7.4331","0.0004","16.1484","0.0009","90","","98.43","0.003","90","","1639.67","0.15","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0785","0.0398","","","0.0786","0.091","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016052","13.7708","0.0008","7.4195","0.0003","16.1242","0.0007","90","","98.455","0.002","90","","1629.54","0.14","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0698","0.0388","","","0.0776","0.0873","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016053","13.7338","0.0006","7.407","0.0003","16.0959","0.0007","90","","98.467","0.001","90","","1619.53","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0634","0.036","","","0.0708","0.0792","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016054","13.6927","0.0006","7.392","0.0003","16.0641","0.0006","90","","98.499","0.002","90","","1608.1","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0585","0.0345","","","0.0725","0.08","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016055","13.6376","0.0005","7.3758","0.0003","16.0446","0.0009","90","","98.594","0.002","90","","1595.78","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C15 H21 Co O6 -","- C15 H21 Co O6 -","- C60 H84 Co4 O24 -","4","1","GZ3091","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) at 240, 210, 180, 150 and 110K","Acta Crystallographica Section C","2007","63","7","m283","m288","10.1107/S0108270107022950","","","0.71073","MoKα","","0.0421","0.0288","","","0.0612","0.0654","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016056","9.6834","0.0006","14.296","0.0008","22.297","0.0013","92.389","0.002","99.896","0.003","92.476","0.002","3034.1","0.3","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","2,12-Dichloro-10,20-diphenyl-5,7,15,17-tetrahydro-6<i>H</i>,16<i>H</i>- dibenzo[d,l][1,9,2,6,10,14]dioxotetraazacyclohexadecine-6,16-dione dioxane solvate","","- C34 H30 Cl2 N4 O6 -","- C34 H30 Cl2 N4 O6 -","- C136 H120 Cl8 N16 O24 -","4","2","LN3049","Khrustalev, Victor N.; Komissarov, Eugene A.; Kulikov, Oleg V.","2,12-Dichloro-10,20-diphenyl-5,7,15,17-tetrahydro-6<i>H</i>,16<i>H</i>-dibenzo[<i>d</i>,<i>l</i>][1,9,2,6,10,14]dioxotetraazacyclohexadecine-6,16-dione dioxane solvate as a potential macrocyclic hexadentate ligand","Acta Crystallographica Section C","2007","63","7","o374","o377","10.1107/S0108270107021415","","","0.71073","MoKα","","0.0725","0.0459","","","0.1065","0.1261","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016057","4.8983","0.0002","22.8232","0.0013","12.5799","0.0009","90","","104.249","0.007","90","","1363.1","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]","","- C10 H12 F6 N2 Sn2 -","- C10 H12 F6 N2 Sn2 -","- C40 H48 F24 N8 Sn8 -","4","1","LN3053","Boufas, Sihem; Merazig, Hocine; Moliterni , Anna Grazia; Altomare, Angela","Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]","Acta Crystallographica Section C","2007","63","7","m315","m317","10.1107/S0108270107023815","","","0.71073","MoKα","","","0.0326","","","","0.0699","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016058","6.5978","0.0003","29.2458","0.0015","28.663","0.0013","90","","90.521","0.002","90","","5530.5","0.5","110","2","110","2","","","","","","","","5","C 1 c 1","C -2yc","9","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒dimethyl sulfoxide (2/5)","","- C51 H44 N5 O8.5 S2.5 -","- C50 H41 N5 O8 S2 -","- C200 H164 N20 O32 S8 -","4","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.1522","0.0852","","","0.1905","0.2114","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016059","7.6005","0.0003","15.6609","0.001","18.6149","0.0012","77.718","0.003","89.63","0.004","78.805","0.004","2122.4","0.2","110","2","110","2","","","","","","","","4","P 1","P 1","1","","20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid‒4-acetylpyridine‒tetrahydrofuran (1/2/10)","","- C100 H123 N7 O18 -","- C60 H43 N7 O8 -","- C60 H43 N7 O8 -","1","1","LN3055","Sankar Muniappan; Sophia Lipstman; Israel Goldberg","Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5^4^,10^4^,15^4^-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates","Acta Crystallographica Section C","2007","63","7","o395","o399","10.1107/S0108270107024936","","","0.71073","MoKα","","0.0813","0.0521","","","0.127","0.1352","","","","","","0.798","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016060","33.403","0.01","5.902","0.005","19.97","0.007","90","","114.56","0.02","90","","3581","4","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","4-chloroanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","4-chloroanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","","- C15 H14 Cl I N2 O5 S -","- C15 H14 Cl I N2 O5 S -","- C120 H112 Cl8 I8 N16 O40 S8 -","8","1","SF3040","Graham Smith; Urs D. Wermuth; Peter C. Healy","Proton-transfer compounds of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with 4-chloroaniline and 4-bromoaniline","Acta Crystallographica Section C","2007","63","7","o405","o407","10.1107/S0108270107025772","","","0.71073","MoKα","","0.0716","0.0586","","","0.1522","0.1628","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016061","33.494","0.009","5.927","0.004","19.963","0.007","90","","114.29","0.02","90","","3612","3","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","4-bromoanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","4-bromoanilinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate","","- C15 H14 Br I N2 O5 S -","- C15 H14 Br I N2 O5 S -","- C120 H112 Br8 I8 N16 O40 S8 -","8","1","SF3040","Graham Smith; Urs D. Wermuth; Peter C. Healy","Proton-transfer compounds of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (ferron) with 4-chloroaniline and 4-bromoaniline","Acta Crystallographica Section C","2007","63","7","o405","o407","10.1107/S0108270107025772","","","0.71073","MoKα","","0.0504","0.0275","","","0.0882","0.1102","","","","","","0.811","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016062","8.6938","0.0005","12.1331","0.0007","19.5321","0.0012","90","","90","","90","","2060.3","0.2","273","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4-{3-[2-(dimethylamino)ethyl]-1<i>H</i>-indol-5- ylmethyl}oxazolidin-2-one benzene solvate","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.041","0.0393","","","0.1113","0.1132","","","","","","1.292","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016063","8.7618","0.0013","19.506","0.003","12.1767","0.0018","90","","91.399","0.002","90","","2080.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-4-{3-[2-(dimethylamino)ethyl]-1<i>H</i>-indol-5- ylmethyl}oxazolidin-2-one phenol solvate","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","2","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.0505","0.0472","","","0.1332","0.1366","","","","","","1.187","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016064","11.5109","0.0019","16.882","0.003","7.9362","0.0019","90","","93.034","0.017","90","","1540.1","0.5","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,6-diol","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","2","SK3120","Marciniak, Bernard","Naphthalene-1,6-diol: a three-dimensional framework built from O—H···O, O—H···π and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","7","o419","o422","10.1107/S010827010702642X","","","0.71073","MoKα","","0.0873","0.0579","","","0.1237","0.14","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016065","7.2248","0.0006","8.3273","0.0007","8.3403","0.0008","89.1","0.006","87.002","0.006","65.225","0.005","454.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-aminopyridinium) hexachloridostannate(IV)","","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","- C10 H14 Cl6 N4 Sn -","1","0.5","SK3125","Rademeyer, M.; Lemmerer, A.; Billing, David G.","Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(<i>p</i>-toluidinium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","7","m289","m292","10.1107/S010827010702327X","","","0.71073","MoKα","","0.0213","0.0202","","","0.0508","0.0514","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016066","7.1166","0.0005","25.304","0.002","11.6862","0.0009","90","","90.239","0.004","90","","2104.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(p-toluidinium)hexachloridostannate(IV)","","- C14 H20 Cl6 N2 Sn -","- C14 H20 Cl6 N2 Sn -","- C56 H80 Cl24 N8 Sn4 -","4","1","SK3125","Rademeyer, M.; Lemmerer, A.; Billing, David G.","Bis(4-aminopyridinium) hexachloridostannate(IV) and bis(<i>p</i>-toluidinium) hexachloridostannate(IV)","Acta Crystallographica Section C","2007","63","7","m289","m292","10.1107/S010827010702327X","","","0.71073","MoKα","","","0.0328","","","","0.0822","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016067","11.7604","0.0004","14.9847","0.0007","15.1844","0.0008","90","","90","","90","","2675.9","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","rac-2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C104 H128 N16 O24 S8 -","8","2","SK3126","Cunico, Wilson; Gomes, Claudia R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Racemic 2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one crystallizes in the space group <i>P</i>2~1~2~1~2~1~ with <i>Z</i>' = 2: two different interpenetrating three-dimensional frameworks formed by C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","7","o411","o414","10.1107/S0108270107022913","","","0.71073","MoKα","","0.0987","0.0464","","","0.0706","0.0831","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016068","6.536","0.0002","13.4507","0.0003","13.8558","0.0004","117.135","0.001","100.612","0.001","92.7217","0.0019","1053.4","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-iodophenyl)porphyrin chloroform 0.85-solvate","","- C44.85 H26.85 Cl2.55 I4 N4 -","- C44.852 H26.852 Cl2.556 I4 N4 -","- C44.852 H26.852 Cl2.556 I4 N4 -","1","0.5","SK3127","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","The nature of supramolecular interactions in tetrakis(4-iodophenyl)porphyrin and its zinc(II) complex","Acta Crystallographica Section C","2007","63","7","m300","m303","10.1107/S0108270107023104","","","0.71073","MoKα","","0.0702","0.0471","","","0.1194","0.1339","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016069","10.2165","0.0003","9.2289","0.0003","20.5252","0.0005","90","","97.914","0.002","90","","1916.83","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tetrakis(4-iodophenyl)porphyrinato]zinc(II)","","- C44 H24 I4 N4 Zn -","- C44 H24 I4 N4 Zn -","- C88 H48 I8 N8 Zn2 -","2","0.5","SK3127","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","The nature of supramolecular interactions in tetrakis(4-iodophenyl)porphyrin and its zinc(II) complex","Acta Crystallographica Section C","2007","63","7","m300","m303","10.1107/S0108270107023104","","","0.71073","MoKα","","0.0677","0.0432","","","0.1058","0.119","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016070","4.6657","0.0002","9.4172","0.0004","11.6841","0.0004","109.752","0.0017","98.598","0.002","90.926","0.002","476.51","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-cyano-4-iodoacetanilide","","- C9 H7 I N2 O -","- C9 H7 I N2 O -","- C18 H14 I2 N4 O2 -","2","1","SK3136","Garden, Simon J.; Custódio, Cíntia de A.; Wardell, James L.; Low, John N.; Glidewell, Christopher","2-Cyano-4-iodoacetanilide: a hydrogen-bonded chain of <i>R</i>~2~^2^(12) and <i>R</i>~2~^2^(14) rings","Acta Crystallographica Section C","2007","63","7","o408","o410","10.1107/S0108270107026492","","","0.71073","MoKα","","0.0285","0.0265","","","0.0564","0.0577","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016071","10.5672","0.0003","14.5838","0.0003","7.3453","0.0003","90","","90","","90","","1131.98","0.06","293","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","triterbium rubidium heptaoxide","","- O7 Ru Tb3 -","- O7 Ru Tb3 -","- O56 Ru8 Tb24 -","8","2","SQ3070","Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi; James R. Hester","Synchrotron X-ray study of noncentrosymmetric Tb~3~RuO~7~ with partial structural disorder","Acta Crystallographica Section C","2007","63","7","i43","i46","10.1107/S0108270107021993","","","0.6886","synchrotron","","0.022","0.018","","0.035","","0.027","","","1.166","","","0.975","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016072","5.5364","0.0001","10.9918","0.0002","11.8432","0.0002","107.631","0.001","102.397","0.001","93.562","0.001","664.56","0.02","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Sodium tris(glycinium) bis(hexafluorosilicate) tris(glycine)","","- C12 H33 F12 N6 Na O12 Si2 -","- C12 H33 F12 N6 Na O12 Si2 -","- C12 H33 F12 N6 Na O12 Si2 -","1","0.5","SQ3076","Naranya, Moolya B.; Chitharanjan Raj; Dharmaprakash, S. M.; Harrison, William T. A.","Sodium tris(glycinium) bis(hexafluorosilicate) glycine trisolvate","Acta Crystallographica Section C","2007","63","7","m312","m314","10.1107/S0108270107021774","","","0.71073","MoKα","","0.0261","0.0235","","","0.0592","0.0608","","","","","","1.065","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2016073","11.4361","0.0008","21.5977","0.0016","14.7334","0.0011","90","","101.466","0.001","90","","3566.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-1κO-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2- oxidophenyl)imidazolidine-1κ^4^O,N,N',O';2κ^4^O',N'',N''',O''}- (μ-2-oxidobenzaldehyde-1:2κ^3^O^2^:O^2^,O^1^)dinickel(II) 2.38-hydrate","","- C34 H36 N4 Ni2 O8.38 -","- C34 H38.76 N4 Ni2 O8.38 -","- C136 H155.04 N16 Ni8 O33.52 -","4","1","AV3086","Lu, Li-Ping; Lu, Xiao-Ping; Zhu, Miao-Li","Aqua-1κ<i>O</i>-{μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)imidazolidine-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';2κ^4^<i>O</i>',<i>N</i>'',<i>N</i>''',<i>O</i>''}(μ-2-formylphenolato-1:2κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^)dinickel(II) trihydrate: a one-dimensional chain linked by O—H···O hydrogen bonds and C—H···π interactions","Acta Crystallographica Section C","2007","63","8","m374","m376","10.1107/S0108270107023256","","","0.71073","MoKα","","0.0816","0.0586","","","0.1455","0.1682","","","","","","1.069","","","","has coordinates,has disorder","206183","2020-10-21","18:00:00",""
"2016074","11.3274","0.0008","17.809","0.0012","12.9556","0.0009","90","","94.885","0.001","90","","2604","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,2-bis(diphenylphosphino)ethane-κ^2^P,P']difluoridoruthenium(II) trichloromethane disolvate","","- C54 H50 Cl6 F2 P4 Ru -","- C54 H50 Cl6 F2 P4 Ru -","- C108 H100 Cl12 F4 P8 Ru2 -","2","0.5","AV3094","Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John","Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']difluoridoruthenium(II) trichloromethane disolvate","Acta Crystallographica Section C","2007","63","8","m383","m384","10.1107/S0108270107030466","","","0.71073","MoKα","","0.0601","0.0519","","","0.1387","0.1449","","","","","","1.054","","","","has coordinates,has Fobs","198633","2020-10-21","18:00:00",""
"2016075","10.5281","0.001","7.4585","0.0011","16.341","0.002","90","","90","","90","","1283.2","0.3","100","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-5-bromo-1H-imidazole","","- C4 H4 Br N3 O2 -","- C4 H4 Br N3 O2 -","- C32 H32 Br8 N24 O16 -","8","1","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0611","0.0497","","","0.1289","0.1392","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016076","7.7166","0.0015","8.1716","0.0011","11.715","0.002","74.278","0.014","77.63","0.017","77.15","0.014","683.9","0.2","295","1","293","2","","","","","","","","4","P -1","-P 1","2","","2-methyl-4-nitro-1H-imidazole-5-carbonitrile","","- C5 H4 N4 O2 -","- C5 H4 N4 O2 -","- C20 H16 N16 O8 -","4","2","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0856","0.0424","","","0.0974","0.1045","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016077","20.9386","0.0018","8.8654","0.0007","16.056","0.0015","90","","124.559","0.005","90","","2454.5","0.4","293","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dibarium μ-oxo-bis(pentachlororuthenate(IV)) decahydrate","","- Ba2 Cl10 H20 O11 Ru2 -","- Ba2 Cl10 H20 O11 Ru2 -","- Ba8 Cl40 H80 O44 Ru8 -","4","0.5","BC3046","Boufas, Sihem; Hadjadj, Nasr-Eddine; Merazig, Hocine; Moliterni , Anna Grazia; Altomare, Angela","Hydrogen bonding and structure of Ba~2~Ru~2~Cl~10~O·10H~2~O","Acta Crystallographica Section C","2007","63","8","i60","i62","10.1107/S0108270107029551","","","0.71073","MoKα","","","0.0291","","","","0.0697","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016078","6.237","0.0004","7.2005","0.0005","10.7066","0.0008","92.868","0.004","92.743","0.005","105.524","0.004","461.77","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium tris[dioxidovanadium(V)] bis[trioxidotellurium(IV)]","","- Li O12 Te2 V3 -","- Li O12 Te2 V3 -","- Li2 O24 Te4 V6 -","2","1","BC3051","Johnston, Magnus G.; Harrison, William T. A.","Li(VO~2~)~3~(TeO~3~)~2~","Acta Crystallographica Section C","2007","63","8","i57","i59","10.1107/S010827010702954X","","","0.71073","MoKα","","0.0435","0.0359","","","0.0845","0.0885","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016079","9.9885","0.0001","9.9885","0.0001","9.9885","0.0001","90","","90","","90","","996.55","0.02","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","tyrrellite","copper cobalt nickel tetraselenide","","- Co1.36 Cu Ni0.64 Se4 -","- Co1.36 Cu Ni0.64 Se4 -","- Co10.88 Cu8 Ni5.12 Se32 -","8","0.0416667","BC3052","Yang, Hexiong; Hubler, David K.; Lavina, Barbara; Downs, Robert T.; Costin, Gelu","Tyrrellite, Cu(Co~0.68~Ni~0.32~2)~2~Se~4~, isostructural with spinel","Acta Crystallographica, Section C","2007","63","8","i73","i74","10.1107/S010827010703048X","","","0.71073","MoKα","","0.0169","0.0139","","","0.027","0.0275","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016080","9.4053","0.0004","13.8617","0.0007","18.0405","0.0009","107.361","0.005","99.069","0.004","101.086","0.004","2144.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κS)lead(II)","","- C34 H62 N2 O6 Pb S2 Si2 -","- C34 H62 N2 O6 Pb S2 Si2 -","- C68 H124 N4 O12 Pb2 S4 Si4 -","2","1","BG3039","Chojnacki, Jaroslaw; Kloskowska, Magdalena; Janowska, Urszula; Wojnowski, Wieslaw","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) and (4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) benzene hemisolvate","Acta Crystallographica Section C","2007","63","8","m349","m351","10.1107/S0108270107029629","","","0.71073","MoKα","","0.0489","0.0398","","","0.095","0.0994","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016081","10.204","0.002","13.359","0.003","21.109","0.004","84.57","0.03","83.05","0.03","85.29","0.03","2836.2","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(4,7-diphenyl-1,10-phenanthroline-κ^2^N,N')bis(tri-<i>tert</i>- butoxysilanethiolato-κS)lead(II) benzene hemisolvate","","- C51 H73 N2 O6 Pb S2 Si2 -","- C51 H73 N2 O6 Pb S2 Si2 -","- C102 H146 N4 O12 Pb2 S4 Si4 -","2","1","BG3039","Chojnacki, Jaroslaw; Kloskowska, Magdalena; Janowska, Urszula; Wojnowski, Wieslaw","(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) and (4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) benzene hemisolvate","Acta Crystallographica Section C","2007","63","8","m349","m351","10.1107/S0108270107029629","","","0.71073","MoKα","","0.0781","0.0372","","","0.0983","0.118","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016082","8.365","0.002","9.795","0.003","20.946","0.005","90","","90","","90","","1716.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[pentaaquasulfato-μ~4~-(R,R)-tartrato-dicadmium(II)] trihydrate]","","- C4 H20 Cd2 O18 S -","- C4 H20 Cd2 O18 S -","- C16 H80 Cd8 O72 S4 -","4","1","BG3040","Drzewiecka, Aleksandra; Stepniak, Krystyna; Barcicka, Anna; Koziol, Anna E.","Poly[[pentaaquasulfato-μ~4~-(<i>R</i>,<i>R</i>)-tartrato-dicadmium(II)] trihydrate]","Acta Crystallographica Section C","2007","63","8","m346","m348","10.1107/S0108270107027862","","","0.71073","MoKα","","0.0614","0.0371","","","0.0547","0.0589","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016083","25.518","0.003","9.706","0.0012","16.758","0.002","90","","120.045","0.002","90","","3592.9","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-oxido-bis{bis[2-(dimethylaminomethyl)phenyl]stannol}","","- C36 H50 N4 O3 Sn2 -","- C36 H50 N4 O3 Sn2 -","- C144 H200 N16 O12 Sn8 -","4","0.5","BG3041","Rotar, Adina; Varga, Richard A.; Silvestru, Cristian","Intramolecular interactions in μ-oxido-bis{bis[2-(dimethylaminomethyl)phenyl]stannol}","Acta Crystallographica Section C","2007","63","8","m355","m356","10.1107/S0108270107030156","","","0.71073","MoKα","","0.0573","0.0422","","","0.0846","0.0899","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016084","13.997","0.0008","7.5441","0.0004","16.359","0.0012","90","","99.031","0.002","90","","1706.01","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(2,4-pentanedionato-κ^2^O,O')chromium(III)","","- C15 H21 Cr O6 -","- C15 H21 Cr O6 -","- C60 H84 Cr4 O24 -","4","1","BG3044","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')chromium(III) at 290 and 110K: a new δ phase at 110K","Acta Crystallographica Section C","2007","63","8","m377","m382","10.1107/S0108270107033823","","","0.71073","MoKα","","0.0551","0.0424","","","0.1181","0.1271","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016085","27.5823","0.0002","7.4656","0.0001","48.6012","0.0004","90","","99.2731","0.0003","90","","9877.09","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α-Tris(2,4-pentanedionato-κ^2^O,O')chromium(III)","","- C15 H21 Cr O6 -","- C15 H21 Cr O6 -","- C360 H504 Cr24 O144 -","24","6","BG3044","Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.","α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')chromium(III) at 290 and 110K: a new δ phase at 110K","Acta Crystallographica Section C","2007","63","8","m377","m382","10.1107/S0108270107033823","","","0.71073","MoKα","","0.0854","0.04","","","0.1146","0.1385","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016086","11.7045","0.0008","10.3432","0.0007","5.7082","0.0004","90","","90","","90","","691.05","0.08","295","2","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","tricalcium monogermanate dichloride","","- Ca3 Cl2 Ge O4 -","- Ca3 Cl2 Ge O4 -","- Ca12 Cl8 Ge4 O16 -","4","0.5","EM3006","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Ca~3~GeO~4~Cl~2~ with a norbergite-like structure","Acta Crystallographica Section C","2007","63","8","i69","i72","10.1107/S0108270107030478","","","0.71073","MoKα","","","0.0246","","","","0.057","","","","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016087","3.8205","0.0006","15.986","0.002","11.608","0.0012","90","","90.546","0.011","90","","708.92","0.16","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-3-(3-pyridyl)acrylic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","FA3092","Alexander Briceño; Reinaldo Atencio; Raquel Gil; Alejandra Nobrega","Hydrogen-bonded networks in <i>trans</i>-3-(3-pyridyl)acrylic acid and <i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","Acta Crystallographica Section C","2007","63","8","o441","o444","10.1107/S0108270107027497","","","0.71073","MoKα","","0.0666","0.0406","","","0.098","0.1122","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016088","7.3938","0.0013","14.829","0.003","15.25","0.003","90","","90","","90","","1672.1","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","","- C16 H16 Cl2 N2 O4 -","- C16 H16 Cl2 N2 O4 -","- C64 H64 Cl8 N8 O16 -","4","1","FA3092","Alexander Briceño; Reinaldo Atencio; Raquel Gil; Alejandra Nobrega","Hydrogen-bonded networks in <i>trans</i>-3-(3-pyridyl)acrylic acid and <i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","Acta Crystallographica Section C","2007","63","8","o441","o444","10.1107/S0108270107027497","","","0.7107","MoKα","","0.0503","0.0381","","","0.0882","0.1031","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016089","7.8862","0.0012","20.501","0.005","7.7119","0.0013","90","","102.633","0.016","90","","1216.6","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato- κO^1^:κ^2^O^4^:O^4'^] monohydrate]","","- C8 H11 N O10 Zn -","- C8 H11 N O10 Zn -","- C32 H44 N4 O40 Zn4 -","4","1","FA3096","Guo, Ming-Lin; Guo, Chen-Hu","<i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato-κ<i>O</i>^1^:κ^2^<i>O</i>^4^,<i>O</i>^4'^] monohydrate]","Acta Crystallographica Section C","2007","63","8","m352","m354","10.1107/S0108270107030946","","","0.71073","MoKα","","0.0409","0.0339","","","0.0781","0.0806","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016090","4.8053","0.0006","11.42","0.001","26.732","0.003","90","","93.181","0.002","90","","1464.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-thiobis(2-naphthol)","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","FA3098","Mague, Joel T.; Balakrishna, Maravanji S.; Punji, Banudhar; Suresh, Devarajan","Two crystalline modifications of 1,1'-thiobis(2-naphthol)","Acta Crystallographica Section C","2007","63","8","o487","o488","10.1107/S0108270107032738","","","0.71073","MoKα","","0.0708","0.0449","","","0.0958","0.1059","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016091","13.6508","0.0009","5.2192","0.0003","21.265","0.001","90","","105.409","0.001","90","","1460.59","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-thiobis(2-naphthol)","","- C20 H14 O2 S -","- C20 H14 O2 S -","- C80 H56 O8 S4 -","4","1","FA3098","Mague, Joel T.; Balakrishna, Maravanji S.; Punji, Banudhar; Suresh, Devarajan","Two crystalline modifications of 1,1'-thiobis(2-naphthol)","Acta Crystallographica Section C","2007","63","8","o487","o488","10.1107/S0108270107032738","","","0.71073","MoKα","","0.0556","0.044","","","0.0833","0.0905","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016092","15.178","0.002","7.4496","0.0012","19.751","0.003","90","","112.397","0.003","90","","2064.8","0.5","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine‒water (1/2)","2,3-dimethoxystrychnidin-10-one‒water (1/2)","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","2","GA3057","Graham Smith; Urs D. Wermuth; Jonathan M. White","Pseudopolymorphism in brucine: brucine‒water (1/2), the third crystal hydrate of brucine","Acta Crystallographica Section C","2007","63","8","o489","o492","10.1107/S0108270107032295","","","0.71073","MoKα","","0.0606","0.048","","","0.0855","0.0898","","","","","","0.87","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016093","7.6538","0.0014","11.022","0.002","15.056","0.003","90","","99.561","0.016","90","","1252.5","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","4-Ethynyl[2.2]paracyclophane","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0849","0.0418","","","0.0912","0.103","","","","","","0.864","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016094","7.6316","0.001","7.8177","0.001","12.4446","0.0016","78.125","0.002","72.339","0.002","73.971","0.002","673.9","0.15","143","2","143","2","","","","","","","","2","P -1","-P 1","2","","4,12-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.051","0.0449","","","0.1208","0.126","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016095","11.8823","0.0012","11.8823","0.0012","8.4426","0.0012","90","","90","","120","","1032.3","0.2","143","2","143","2","","","","","","","","2","P 31","P 31","144","","4,13-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C60 H48 -","3","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0407","0.0348","","","0.0857","0.0882","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016096","7.6187","0.001","10.8231","0.0016","8.6293","0.0012","90","","101.23","0.006","90","","697.93","0.17","143","2","143","2","","","","","","","","2","P 1 21 1","P 2yb","4","","4,15-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C40 H32 -","2","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0384","0.036","","","0.096","0.0977","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016097","12.5475","0.0012","12.5475","0.0012","7.8705","0.001","90","","90","","120","","1073.1","0.2","143","2","143","2","","","","","","","","2","P 31","P 31","144","","4,16-Diethynyl[2.2]paracyclophane","","- C20 H16 -","- C20 H16 -","- C60 H48 -","3","1","GD3118","Jones, Peter G.; Dix, Ina; Hopf, Henning","C—H···π interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern","Acta Crystallographica Section C","2007","63","8","o468","o473","10.1107/S0108270107027606","","","0.71073","MoKα","","0.0439","0.037","","","0.096","0.1005","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016098","14.981","0.003","13.956","0.002","18.309","0.003","90","","105.8","0.01","90","","3683.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(phthalocyaninato-κ^4^N)magnesium(II) 3-chloropyridine disolvate","","- C42 H26 Cl2 Mg N10 O -","- C42 H26 Cl2 Mg N10 O -","- C168 H104 Cl8 Mg4 N40 O4 -","4","1","GG3098","Vasyl Kinzhybalo; Jan Janczak","Aqua(phthalocyaninato-κ^4^<i>N</i>)magnesium(II) 3-chloropyridine disolvate","Acta Crystallographica Section C","2007","63","8","m357","m360","10.1107/S0108270107030089","","","0.71073","MoKα","","0.1045","0.0631","","","0.085","0.1107","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016099","14.7933","0.0003","20.0349","0.0004","14.8243","0.0003","90","","90.282","0.0007","90","","4393.61","0.15","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C12 H15 N O S -","- C12 H15 N O S -","- C192 H240 N16 O16 S16 -","16","4","HJ3044","Sonar, Vijayakumar N.; M. Venkatraj; Parkin, Sean; Crooks, Peter A.","<i>rac</i>-(<i>Z</i>)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2007","63","8","o493","o495","10.1107/S0108270107033690","","","0.71073","MoKα","","0.0763","0.0436","","","0.0995","0.1138","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016100","10.1283","0.0009","10.1283","0.0009","18.948","0.003","90","","90","","120","","1683.3","0.3","86","2","86","2","","","","","","","","3","R -3 :H","-R 3","148","ZnTe6O13","zinc(II) hexatellurium(IV) tridecaoxide","","- O13 Te6 Zn -","- O13 Te6 Zn -","- O78 Te36 Zn6 -","6","0.333333","IZ3022","Nawash, Jalal M.; Twamley, Brendan; Lynn, Kelvin G.","ZnTe~6~O~13~, a new ZnO‒TeO~2~ phase","Acta Crystallographica Section C","2007","63","8","i66","i68","10.1107/S0108270107027412","","","0.71073","MoKα","","0.0213","0.02","","","0.0593","0.0604","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016101","7.7257","0.0003","10.2208","0.0003","13.4225","0.0004","96.879","0.002","96.354","0.002","107.158","0.002","993.44","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Acemetacin monohydrate","2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}acetic acid monohydrate","","- C21 H20 Cl N O7 -","- C21 H20 Cl N O7 -","- C42 H40 Cl2 N2 O14 -","2","1","JZ3078","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Acemetacin monohydrate","Acta Crystallographica Section C","2007","63","8","o451","o453","10.1107/S0108270107030065","","","0.71073","MoKα","","0.0633","0.0464","","","0.1187","0.1274","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016102","12.7944","0.0009","9.3494","0.0007","10.0269","0.0007","90","","90","","90","","1199.42","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","","- C9 H20 Cl N3 O -","- C9 H20 Cl N3 O -","- C36 H80 Cl4 N12 O4 -","4","1","SF3043","Guzei, Ilia A.; Keter, Frankline K.; Spencer, Lara C.; Darkwa, James","Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1<i>H</i>-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate","Acta Crystallographica Section C","2007","63","8","o481","o483","10.1107/S0108270107031952","","","0.71073","MoKα","","0.0266","0.023","","","0.0564","0.0591","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016103","5.8633","0.0012","9.681","0.002","9.772","0.002","65.336","0.003","75.334","0.003","78.44","0.003","484.82","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[aquazinc(II)]-μ~3~-tyrosinato]","","- C9 H9 N O4 Zn -","- C9 H9 N O4 Zn -","- C18 H18 N2 O8 Zn2 -","2","1","SF3044","Dong-Qing Li; Jian Zhou; Xing Liu","The one-dimensional chain polymer of aqua(tyrosinato)zinc(II)","Acta Crystallographica Section C","2007","63","8","m371","m373","10.1107/S010827010703185X","","","0.71073","MoKα","","0.0499","0.0438","","","0.1057","0.1089","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016104","15.848","0.003","10.689","0.002","20.078","0.005","90","","91.38","0.011","90","","3400.2","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)benzaldehyde‒6-phenyl-1,3,5-triazine-2,4-diamine (1/1)","","- C18 H20 N6 O -","- C18 H20 N6 O -","- C144 H160 N48 O8 -","8","1","SF3045","Habibi, Mohammad Hossein; Zendehdel, Mahmoud; Barati, Kazem; Harrington, Ross W.; Clegg, William","A 1:1 cocrystal of 4-(dimethylamino)benzaldehyde and 6-phenyl-1,3,5-triazine-2,4-diamine","Acta Crystallographica Section C","2007","63","8","o474","o476","10.1107/S0108270107031307","","","0.71073","MoKα","","0.0635","0.0446","","","0.1145","0.1285","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016105","6.229","0.002","6.244","0.003","14.475","0.003","90","","99.05","0.03","90","","556","0.3","293","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-5-benzylhydantoin monohydrate","(S)-5-Benzylimidazolidine-2,4-dione monohydrate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C20 H24 N4 O6 -","2","1","SK3128","Delgado, Gerzon E.; Mora, Asiloé J.; Uzcátegui, Jorge; Bahsas, Ali; Briceño, Alexander","(<i>S</i>)-5-Benzylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section C","2007","63","8","o448","o450","10.1107/S0108270107028090","","","0.71069","MoKα","","0.0526","0.0466","","","0.1346","0.1408","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016106","11.606","0.006","12.155","0.002","22.12","0.004","90","","90","","90","","3120.5","1.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate)","","- C29 H26 Cl2 Cu N6 O8 Se -","- C29 H26 Cl2 Cu N6 O8 Se -","- C116 H104 Cl8 Cu4 N24 O32 Se4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.118","0.0735","","","0.119","0.144","","","","","","1.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016107","11.493","0.007","11.861","0.009","20.166","0.01","90","","90","","90","","2749","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione- κ<i>S</i>)copper(II) bis(perchlorate)","","- C23 H22 Cl2 Cu N6 O8 S -","- C23 H22 Cl2 Cu N6 O8 S -","- C92 H88 Cl8 Cu4 N24 O32 S4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.0723","0.0611","","","0.15","0.164","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016108","7.943","0.0019","7.966","0.0011","9.943","0.003","87.637","0.013","82.632","0.018","89.941","0.017","623.4","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,5-Dimethyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C16 H15 N3 -","- C16 H15 N3 -","- C32 H30 N6 -","2","1","SK3137","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","2,5-Dimethyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline and 2-<i>tert</i>-butyl-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline","Acta Crystallographica Section C","2007","63","8","o458","o461","10.1107/S0108270107029010","","","0.71073","MoKα","","0.1335","0.0669","","","0.1686","0.2203","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016109","11.2632","0.0005","11.4574","0.0007","12.1317","0.0006","93.449","0.005","90.313","0.004","102.791","0.006","1523.66","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-tert-Butyl-5-methyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C19 H21 N3 -","- C19 H21 N3 -","- C76 H84 N12 -","4","2","SK3137","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","2,5-Dimethyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline and 2-<i>tert</i>-butyl-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline","Acta Crystallographica Section C","2007","63","8","o458","o461","10.1107/S0108270107029010","","","0.71073","MoKα","","0.1255","0.0649","","","0.1615","0.2129","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016110","10.4081","0.0005","24.0202","0.0011","10.2842","0.0005","90","","93.314","0.01","90","","2566.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(2-methoxyphenylonethylidene)-1,4-di-p-tosyl-1,2,3,4-tetraquinoxaline","(E)-2-(2-methoxybenzylidene)-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C120 H112 N8 O20 S8 -","4","1","SK3138","Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee","Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2007","63","8","o496","o500","10.1107/S0108270107032234","","","0.71073","MoKα","","0.0356","0.0321","","","0.0886","0.0904","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016111","10.1431","0.0007","11.7721","0.0004","11.8879","0.0009","101.093","0.001","103.928","0.002","91.248","0.003","1348.55","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-methyl 2-[(1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxalin-2-ylidene)methyl]benzoate","","- C31 H28 N2 O6 S2 -","- C31 H28 N2 O6 S2 -","- C62 H56 N4 O12 S4 -","2","1","SK3138","Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee","Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2007","63","8","o496","o500","10.1107/S0108270107032234","","","0.71073","MoKα","","0.0399","0.0355","","","0.0904","0.0939","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016112","12.1494","0.0004","5.1355","0.0002","18.6969","0.0006","90","","102.079","0.002","90","","1140.73","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-(2-nitrophenylhydrazono)butanoate","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0686","0.0454","","","0.1046","0.117","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016113","10.61","0.0003","12.1878","0.0004","20.522","0.002","90","","90","","90","","2653.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(2,4-dinitrophenylhydrazono)butanoate","","- C11 H12 N4 O6 -","- C11 H12 N4 O6 -","- C88 H96 N32 O48 -","8","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0655","0.0443","","","0.1053","0.1158","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016114","15.0138","0.0009","5.2952","0.0003","10.9469","0.0006","90","","90","","90","","870.29","0.09","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxy-3-methyl-1-phenyl-1H-pyrazole","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0494","0.0392","","","0.088","0.0925","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016115","8.891","0.0003","10.1699","0.0006","13.4731","0.0007","90","","100.415","0.003","90","","1198.17","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-isopropylidene-3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0997","0.0595","","","0.1444","0.1654","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016116","6.8119","0.001","7.0301","0.0012","8.5403","0.0013","66.631","0.016","80.204","0.013","71.305","0.014","355.19","0.11","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","5-chloro-1,2-dimethyl-4-nitro-1H-imidazole","","- C5 H6 Cl N3 O2 -","- C5 H6 Cl N3 O2 -","- C10 H12 Cl2 N6 O4 -","2","1","SK3142","Kubicki, Maciej; Wagner, Paweł","Two different modes of halogen bonding in two 4-nitroimidazole derivatives","Acta Crystallographica Section C","2007","63","8","o454","o457","10.1107/S0108270107029721","","","0.71073","MoKα","","0.0294","0.0253","","","0.0641","0.0656","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016117","11.655","0.0009","6.1372","0.0005","8.6994","0.0006","90","","90","","90","","622.26","0.08","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-chloro-1-methyl-4-nitro-1H-imidazole","","- C4 H4 Cl N3 O2 -","- C4 H4 Cl N3 O2 -","- C16 H16 Cl4 N12 O8 -","4","0.5","SK3142","Kubicki, Maciej; Wagner, Paweł","Two different modes of halogen bonding in two 4-nitroimidazole derivatives","Acta Crystallographica Section C","2007","63","8","o454","o457","10.1107/S0108270107029721","","","0.71073","MoKα","","0.0538","0.0298","","","0.0578","0.0646","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016118","8.258","0.0006","9.6225","0.0007","10.7899","0.0007","90","","101.382","0.001","90","","840.53","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[caesium(I) [(μ~4~-ethylenediphosphonato)cobalt(II)]],","","- C2 H5 Co Cs O6 P2 -","- C2 H5 Co Cs O6 P2 -","- C8 H20 Co4 Cs4 O24 P8 -","4","1","SQ3080","Fu, Shu-Juan; Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A tetrahedrally coordinated cobalt(II) phosphonate with a three-dimensional framework containing two-dimensional channels","Acta Crystallographica Section C","2007","63","8","m368","m370","10.1107/S0108270107029113","","","0.71073","MoKα","","0.0329","0.0313","","","0.0786","0.0796","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016119","24.493","0.005","12.355","0.003","19.539","0.004","90","","102.43","0.03","90","","5774","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","mer-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^O,N,O')cobalt(II)","","- C30 H24 Co N6 O4 S2 -","- C30 H24 Co N6 O4 S2 -","- C240 H192 Co8 N48 O32 S16 -","8","1","SQ3082","Ke, Yuan-Zhen; Zheng, Leng-Feng; Luo, Jian-Hai; Huang, Xi-He; Huang, Chang-Cang","<i>mer</i>-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II)","Acta Crystallographica Section C","2007","63","8","m343","m345","10.1107/S0108270107027631","","","0.71073","MoKα","","0.128","0.0548","","","0.0995","0.1194","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016120","10.7928","0.0002","11.4223","0.0002","12.2417","0.0002","90","","100.619","0.001","90","","1483.29","0.05","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Dichloridobis(diethyl sulfide-κS)platinum(II)","","- C8 H20 Cl2 Pt S2 -","- C8 H20 Cl2 Pt S2 -","- C32 H80 Cl8 Pt4 S8 -","4","1","SQ3085","Hansson, Christian","<i>cis</i>-Dichloridobis(diethyl sulfide-κ<i>S</i>)platinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","8","m361","m363","10.1107/S0108270107030417","","","0.71073","MoKα","","0.0561","0.0272","","","0.0606","0.0764","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016121","10.7598","0.0005","11.1976","0.0005","12.1559","0.0005","90","","101.536","0.004","90","","1435","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Dichloridobis(diethyl sulfide-κS)platinum(II)","","- C8 H20 Cl2 Pt S2 -","- C8 H20 Cl2 Pt S2 -","- C32 H80 Cl8 Pt4 S8 -","4","1","SQ3085","Hansson, Christian","<i>cis</i>-Dichloridobis(diethyl sulfide-κ<i>S</i>)platinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","8","m361","m363","10.1107/S0108270107030417","","","0.71073","MoKα","","0.0388","0.0267","","","0.0674","0.0797","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016122","8.7451","0.0011","10.0346","0.0013","10.7877","0.0014","95.377","0.001","104.954","0.001","104.047","0.002","874.82","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-[2-(4-pyridyl)ethenyl]pyridinium 2-carboxybenzenesulfonate","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C38 H32 N4 O10 S2 -","2","1","SQ3086","Zhang, Jing; Zhu, Long-Guan","Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines","Acta Crystallographica Section C","2007","63","8","o484","o486","10.1107/S0108270107033008","","","0.71073","MoKα","","0.0492","0.0391","","","0.0995","0.1109","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016123","7.1807","0.0006","7.1807","0.0006","36.171","0.003","90","","90","","90","","1865.1","0.3","295","2","295","2","","","","","","","","5","P 41","P 4w","76","","1,10-phenanthrolin-1-ium 4-carboxybenzenesulfonate dihydrate","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","SQ3086","Zhang, Jing; Zhu, Long-Guan","Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines","Acta Crystallographica Section C","2007","63","8","o484","o486","10.1107/S0108270107033008","","","0.71073","MoKα","","0.0392","0.0358","","","0.0952","0.0992","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016124","29.384","0.006","7.146","0.001","21.75","0.004","90","","126.39","0.03","90","","3676.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4- <i>b</i>]pyridin-3(2<i>H</i>)-one","","- C20 H23 N3 O S -","- C20 H23 N3 O S -","- C160 H184 N24 O8 S8 -","8","1","TR3017","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one and 4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2007","63","8","o477","o480","10.1107/S0108270107031071","","","1.54178","CuKα","","0.0477","0.0464","","","0.2004","0.2065","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016125","17.548","0.003","11.007","0.002","9.033","0.002","90","","93.83","0.03","90","","1740.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1- yl)methyl]isothiazolo[5,4-<i>b</i>]-3(2<i>H</i>)-one","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C80 H84 N12 O4 S4 -","4","1","TR3017","Karczmarzyk, Zbigniew; Malinka, Wiesław","4,6-Dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one and 4,6-dimethyl-2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]isothiazolo[5,4-<i>b</i>]pyridin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2007","63","8","o477","o480","10.1107/S0108270107031071","","","1.54178","CuKα","","0.0395","0.039","","","0.1132","0.114","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016126","6.021","0.004","28.789","0.011","7.426","0.005","90","","107.89","0.04","90","","1225","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","p-carboxylphenylammonium (2R,3R)-tartrate","4-Carboxyanilinium (2R,3R)-tartrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","2","AV3090","S. Athimoolam; S. Natarajan","4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2007","63","9","o514","o517","10.1107/S0108270107022469","","","0.71073","MoKα","","0.0699","0.0391","","","0.0855","0.1059","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016127","18.5712","0.0008","3.8431","0.0003","18.6321","0.0009","90","","93.67","0.011","90","","1327.06","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","p-aminobenzoic acid","4-Aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","AV3090","S. Athimoolam; S. Natarajan","4-Carboxyanilinium (2<i>R</i>,3<i>R</i>)-tartrate and a redetermination of the α-polymorph of 4-aminobenzoic acid","Acta Crystallographica Section C","2007","63","9","o514","o517","10.1107/S0108270107022469","","","0.71073","MoKα","","0.1072","0.0656","","","0.2065","0.2271","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016128","8.9547","0.0013","10.6215","0.0015","11.3899","0.0016","80.393","0.005","86.408","0.003","80.138","0.002","1051.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[pyridinecopper(II)]bis(μ~3~-4-(2-\ oxidobenzylideneamino)benzoato)] dimethylformamide disolvate]","","- C22 H21 Cu N3 O4 -","- C22 H21 Cu N3 O4 -","- C44 H42 Cu2 N6 O8 -","2","1","AV3097","Qing-Ling Ni; Fa-Si Li; Xiu-Jian Wang; Xian-Su Bi; Sen Liao","<i>catena</i>-Poly[[[pyridinecopper(II)]bis[μ~3~-4-(2-oxidobenzylideneamino)benzoato]] dimethylformamide disolvate], a polymer composed of dimeric dicopper building units","Acta Crystallographica Section C","2007","63","9","m416","m418","10.1107/S010827010703781X","","","0.71073","MoKα","","0.0712","0.0592","","","0.171","0.1842","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016129","10.6087","0.0016","9.4342","0.001","11.1367","0.0019","90","","118","0.006","90","","984.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[μ~2~-4-aminobenzoato-aqua-μ~2~-nitrato-zinc]","","- C7 H8 N2 O6 Zn -","- C7 H8 N2 O6 Zn -","- C28 H32 N8 O24 Zn4 -","4","1","AV3098","Zhang, Quan-Zheng","Poly[μ~2~-4-aminobenzoato-aqua-μ~2~-nitrato-zinc]","Acta Crystallographica Section C","2007","63","9","m405","m406","10.1107/S0108270107036256","","","0.71073","MoKα","","0.0571","0.0422","","","0.0844","0.0915","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016130","25.711","0.002","6.6934","0.0004","15.007","0.001","90","","103.656","0.006","90","","2509.6","0.3","296","","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquazinc(II) dipicrate trihydrate","","- C12 H22 N6 O23 Zn -","- C12 H22 N6 O23 Zn -","- C48 H88 N24 O92 Zn4 -","4","1","BG3046","Kazumasa Honda; Hiroshi Yamawaki; Hiroshi Fujihisa; Takehiro Matsunaga; Makoto Matsukawa","Hexaaquazinc(II) dipicrate trihydrate","Acta Crystallographica Section C","2007","63","9","m423","m426","10.1107/S0108270107035111","","","0.7107","MoKα","","","0.0487","","","","0.1339","","","","","","1.312","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2016131","14.4002","0.0007","14.5478","0.0007","21.0119","0.001","90","","133.017","0.003","90","","3218.4","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile){2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine}\ dicholoridoruthenium(II) dichloromethane solvate","","- C30 H36 Cl4 N4 Ru -","- C30 H36 Cl4 N4 Ru -","- C120 H144 Cl16 N16 Ru4 -","4","1","BG3047","Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir","(Acetonitrile){2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine}dichloridoruthenium(II) dichloromethane solvate","Acta Crystallographica Section C","2007","63","9","m407","m409","10.1107/S0108270107036669","","","0.71073","MoKα","","0.1016","0.0589","","","0.1656","0.1795","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016132","5.4957","0.0006","11.6909","0.0014","11.7435","0.0014","103.142","0.01","101.398","0.009","98.332","0.009","705.88","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","trans-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>) copper(II)","trans-bis(3-amino-2-phenyl-4H-1-benzopyran-4-one- κ^2^N,O^4^)bis(perchlorato-κO)copper(II)","","- C30 H22 Cl2 Cu N2 O12 -","- C30 H22 Cl2 Cu N2 O12 -","- C30 H22 Cl2 Cu N2 O12 -","1","0.5","BM3030","Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Glinka, Łukasz; Ochocki, Justyn","<i>trans</i>-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>)copper(II), a new potential antitumour agent","Acta Crystallographica Section C","2007","63","9","m410","m412","10.1107/S010827010703747X","","","0.71073","MoKα","","0.0576","0.037","","","0.0795","0.0842","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016133","25.806","0.009","9.546","0.0013","23.577","0.01","90","","106.6","0.04","90","","5566","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-H-nicotinamidium(1+) decavanadate(V) dihydrate","Hexakis[3-(aminocarbonyl)pyridinium] decavanadate(V) dihydrate","","- C36 H46 N12 O36 V10 -","- C36 H46 N12 O36 V10 -","- C144 H184 N48 O144 V40 -","4","0.5","DN3044","Pacigová, Silvia; Rakovský, Erik; Sivák, Michal; Žák, Zdirad","Hexakis[3-(aminocarbonyl)pyridinium] decavanadate(V) dihydrate","Acta Crystallographica Section C","2007","63","9","m419","m422","10.1107/S0108270107028557","","","0.71073","MoKα","","0.0245","0.0207","","","0.0611","0.0624","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016134","8.2706","0.0016","8.3878","0.0016","30.342","0.006","90","","93.542","0.002","90","","2100.9","0.7","293","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquabis[μ~4~-2-hydroxy-4- (4-sulfonatophenyldiazenyl)benzoato]dibarium(II)] 4,4'-bipyridine solvate]","","- C36 H36 Ba2 N6 O18 S2 -","- C36 H36 Ba2 N6 O18 S2 -","- C72 H72 Ba4 N12 O36 S4 -","2","0.5","DN3047","Hong Liu; Zhan-Feng Ju; Wei Li; Jie Zhang","Poly[[hexaaquabis[μ~4~-2-hydroxy-5-(4-sulfonatophenyldiazenyl)benzoato]dibarium(II)] 4,4'-bipyridine solvate]","Acta Crystallographica Section C","2007","63","9","m413","m415","10.1107/S0108270107028235","","","0.71073","MoKα","","0.0264","0.025","","","0.0601","0.0609","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016135","5.3812","0.0003","9.9032","0.0006","20.1882","0.0012","90","","90","","90","","1075.85","0.11","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-Methyl 2-anilinomethylene-3-oxobutanoate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","DN3055","Vratislav Langer; Eva Scholtzová; Viktor Milata; Tomáš Solčan","(<i>E</i>)-Methyl 2-anilinomethylene-3-oxobutanoate: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","9","o552","o554","10.1107/S0108270107034397","","","0.71073","MoKα","","0.0459","0.0353","","","0.0929","0.1","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016136","10.0649","0.0011","11.0187","0.0012","12.0352","0.0013","73.357","0.002","79.305","0.003","85.411","0.004","1256.1","0.2","301","1","301","1","","","","","","","","4","P -1","-P 1","2","Amitriptylinium picrate","3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1- aminium 2,4,6-trinitrophenolate","","- C26 H26 N4 O7 -","- C26 H26 N4 O7 -","- C52 H52 N8 O14 -","2","1","FA3097","Bindya, S.; Wong, Wing-Tak; Ashok, M. A.; Yathirajan, H. S.; Rathore, R. S.","Amitriptylinium picrate: conformational disorder","Acta Crystallographica Section C","2007","63","9","o546","o548","10.1107/S0108270107037468","","","0.71073","MoKα","","0.0724","0.0575","","","0.162","0.1783","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016137","7.009","0.002","14.148","0.004","6.656","0.002","90","","90","","90","","660","0.3","85","2","85","2","","","","","","","","5","C m c m","-C 2c 2","63","","Calcium chloride rhenate(VII) dihydrate","","- Ca Cl H4 O6 Re -","- Ca Cl H4 O6 Re -","- Ca4 Cl4 H16 O24 Re4 -","4","0.25","FA3099","Jarek, Urszula; Hołyńska, Małgorzata; Ślepokura, Katarzyna; Lis, Tadeusz","Calcium chloride rhenate(VII) dihydrate","Acta Crystallographica Section C","2007","63","9","i77","i79","10.1107/S0108270107037456","","","0.71073","MoKα","","0.0176","0.0155","","","0.0368","0.0373","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016138","12.513","0.009","5.0135","0.0013","4.7628","0.0015","90","","111.854","0.004","90","","277.3","0.2","200","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Barium tetrafluoridoborate","","- B2 Ba F8 -","- B2 Ba F8 -","- B4 Ba2 F16 -","2","0.25","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.029","0.029","","","0.0699","0.0699","","","","","","1.194","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016139","9.121","0.007","8.714","0.006","13.18","0.009","90","","90","","90","","1047.6","1.3","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium tetrafluoridoborate","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.0498","0.046","","","0.1487","0.153","","","","","","1.086","","","","has coordinates,has Fobs","282533","2023-04-10","15:17:41",""
"2016140","11.854","0.002","7.7308","0.0013","7.6827","0.0013","90","","92.407","0.003","90","","703.4","0.2","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.026","0.022","","","0.052","0.054","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016141","8.4303","0.0017","5.6453","0.0012","15.248","0.003","90","","104.346","0.003","90","","703","0.2","174","2","174","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.058","0.031","","","0.055","0.061","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016142","7.2077","0.0017","4.1543","0.001","23.317","0.006","90","","90.314","0.004","90","","698.2","0.3","174","2","174","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-iodobenzaldehyde azine","","- C14 H10 I2 N2 -","- C14 H10 I2 N2 -","- C28 H20 I4 N4 -","2","0.5","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.065","0.047","","","0.115","0.122","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016143","11.499","0.002","4.0006","0.0007","14.717","0.003","90","","90.9","0.003","90","","676.9","0.2","174","2","174","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1-(4-Chlorobenzylidene)-2-(4-iodobenzylidene)diazane","","- C14 H10 Cl I N2 -","- C14 H10 Cl I N2 -","- C28 H20 Cl2 I2 N4 -","2","1","GA3056","Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Cramer, Christopher J.","Three polymorphs of 4-4'-diiodobenzalazine, and 4-chloro-4'-iodobenzalazine","Acta Crystallographica Section C","2007","63","9","o518","o523","10.1107/S0108270107034786","","","0.71073","MoKα","","0.063","0.038","","","0.066","0.072","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016144","6.4968","0.0005","10.2591","0.0011","13.3852","0.001","90","","90","","90","","892.14","0.14","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[μ~3~-(boric acid)-μ~4~-maleato-dipotassium]","","- C4 H5 B K2 O7 -","- C4 H5 B K2 O7 -","- C16 H20 B4 K8 O28 -","4","1","GA3059","Mustafa Tombul; Kutalmis Guven; Orhan Büyükgüngör; Huseyin Aktas; Tahsin Nuri Durlu","Dipotassium maleate with boric acid","Acta Crystallographica Section C","2007","63","9","m430","m432","10.1107/S0108270107036165","","","0.71073","MoKα","","0.0278","0.0273","","","0.0714","0.0718","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016145","29.067","0.0011","11.256","0.0009","10.148","0.0007","90","","96.58","0.005","90","","3298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-2'',3''-dihydrocyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-2,2''-dione","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C152 H192 N16 O16 -","8","2","GA3060","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","1'-Methylcyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione and 1,1'-dimethylpiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2'',4-dione","Acta Crystallographica Section C","2007","63","9","o538","o542","10.1107/S0108270107035779","","","0.71069","MoKα","","0.1215","0.0426","","","0.0928","0.1195","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016146","9.5194","0.0007","21.8847","0.0014","15.5413","0.0011","90","","93.86","0.04","90","","3230.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-dimethyl-2'',3''-dihydropiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indole-4,2''-dione","","- C17 H21 N3 O2 -","- C17 H21 N3 O2 -","- C136 H168 N24 O16 -","8","2","GA3060","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","1'-Methylcyclooctane-1-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione and 1,1'-dimethylpiperidine-3-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-2'',4-dione","Acta Crystallographica Section C","2007","63","9","o538","o542","10.1107/S0108270107035779","","","0.71073","MoKα","","0.1755","0.0478","","","0.098","0.1344","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016147","7.051","0.0005","14.5981","0.0011","10.6214","0.0008","90","","108.046","0.001","90","","1039.49","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqua(μ~4~-oxydiacetato)lanthanum(III)] nitrate]","","- C4 H10 La N O11 -","- C4 H10 La N O11 -","- C16 H40 La4 N4 O44 -","4","1","GA3062","Griselda Polla; María Teresa Garland; Ricardo Baggio","Structure and thermal decomposition of poly[[triaqua(μ~4~-oxydiacetato)lanthanum(III)] nitrate]","Acta Crystallographica Section C","2007","63","9","m385","m388","10.1107/S0108270107034245","","","0.71073","MoKα","","0.0339","0.028","","","0.0611","0.0631","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016148","6.8284","0.0001","10.6888","0.0002","18.5505","0.0003","90","","94.305","0.001","90","","1350.13","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[cadmium(II)]-bis(μ-6-methylpicolinato)]","","- C14 H12 Cd N2 O4 -","- C14 H12 Cd N2 O4 -","- C56 H48 Cd4 N8 O16 -","4","1","GD3123","Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana","A one-dimensional Cd^II^ coordination polymer: <i>catena</i>-poly[cadmium(II)-bis(μ-6-methylpicolinato)]","Acta Crystallographica Section C","2007","63","9","m389","m391","10.1107/S0108270107034646","","","0.71073","MoKα","","0.0448","0.0272","","","0.0572","0.0615","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016149","12.8718","0.0006","8.0615","0.0003","8.3059","0.0003","90","","100.695","0.002","90","","846.9","0.06","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~3~-1,1-dioxo-1,2-benzoisothiazole-3-thiolato- κ^3^N:S^3^:S^3^)silver(I)]","","- C7 H4 Ag N O2 S2 -","- C7 H4 Ag N O2 S2 -","- C28 H16 Ag4 N4 O8 S8 -","4","1","GD3125","Dennehy, Mariana; Quinzani, Oscar V.; Burrow, Robert A.","Poly[(μ~3~-1,1-dioxo-1,2-benzoisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)silver(I)]","Acta Crystallographica Section C","2007","63","9","m395","m397","10.1107/S0108270107035597","","","0.71073","MoKα","","0.0356","0.0297","","","0.071","0.0748","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016150","6.1242","0.0004","18.8223","0.0007","11.7466","0.0004","90","","104.962","0.003","90","","1308.14","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trinitroethanol","2,2,2-Trinitroethanol","","- C2 H3 N3 O7 -","- C2 H3 N3 O7 -","- C16 H24 N24 O56 -","8","2","GD3132","Göbel, Michael; Klapötke, Thomas M.","2,2,2-Trinitroethanol","Acta Crystallographica Section C","2007","63","9","o562","o564","10.1107/S0108270107037833","","","0.71073","MoKα","","0.0432","0.0371","","","0.0874","0.0919","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016151","7.001","0.006","7.21","0.006","8.102","0.007","91.085","0.007","91.052","0.007","107.764","0.007","389.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","N-acetyl-thiohydantoin-alanine","<i>rac</i>-1-acetyl-5-methyl-2-thioxoimidazolidin-4-one","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C12 H16 N4 O4 S2 -","2","1","GD3133","Sulbaran, Maria E; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Novoa de Armas, Hector; Blaton, Norbert","Hydrogen-bonding patterns in <i>rac</i>-1-acetyl-5-methyl-2-thioxoimidazolidin-4-one","Acta Crystallographica Section C","2007","63","9","o543","o545","10.1107/S0108270107038012","","","0.71069","MoKα","","0.0687","0.0407","","","0.0985","0.1051","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016152","9.3571","0.0009","7.8717","0.0006","9.8053","0.0008","90","","91.943","0.007","90","","721.81","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2-carboxypyridinium) hexafluorosilicate","","- C12 H12 F6 N2 O4 Si -","- C12 H12 F6 N2 O4 Si -","- C24 H24 F12 N4 O8 Si2 -","2","0.5","GG3102","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Domasevitch, Konstantin V.","Hydrogen-bonded frameworks of bis(2-carboxypyridinium) hexafluorosilicate and bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","Acta Crystallographica Section C","2007","63","9","o530","o534","10.1107/S0108270107035469","","","0.71073","MoKα","","0.0395","0.0325","","","0.0898","0.0923","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016153","6.6382","0.0006","9.4274","0.0009","17.0668","0.0014","90","","91.731","0.008","90","","1067.57","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","","- C20 H20 F6 N2 O6 Si -","- C20 H20 F6 N2 O6 Si -","- C40 H40 F12 N4 O12 Si2 -","2","0.5","GG3102","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Domasevitch, Konstantin V.","Hydrogen-bonded frameworks of bis(2-carboxypyridinium) hexafluorosilicate and bis(2-carboxyquinolinium) hexafluorosilicate dihydrate","Acta Crystallographica Section C","2007","63","9","o530","o534","10.1107/S0108270107035469","","","0.71073","MoKα","","0.0413","0.0366","","","0.0992","0.1015","","","","","","1.046","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016154","7.4861","0.0013","17.2008","0.0013","8.0283","0.0019","90","","111.972","0.013","90","","958.7","0.3","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4',6,6'-tetrachloro-2,2'-(piperazin-1,4-diyldimethylene)diphenol","","- C18 H18 Cl4 N2 O2 -","- C18 H18 Cl4 N2 O2 -","- C36 H36 Cl8 N4 O4 -","2","0.5","GG3104","Kubono, Koji; Yokoi, Kunihiko","Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section C","2007","63","9","o535","o537","10.1107/S0108270107035408","","","0.71069","MoKα","","","0.0402","","","","0.1248","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016155","10.36","0.003","12.191","0.0017","15.332","0.005","90","","90","","90","","1936.4","0.9","298","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4',6,6'-tetrachloro-2,2'-(piperazin-1,4-diyldimethylene)diphenol","","- C18 H18 Cl4 N2 O2 -","- C18 H18 Cl4 N2 O2 -","- C72 H72 Cl16 N8 O8 -","4","0.5","GG3104","Kubono, Koji; Yokoi, Kunihiko","Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section C","2007","63","9","o535","o537","10.1107/S0108270107035408","","","0.71069","MoKα","","","0.0366","","","","0.106","","","","","","1.004","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016156","12.898","0.0012","14.5217","0.0015","19.47","0.002","70.482","0.009","78.89","0.007","77.513","0.009","3327","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Compound (III)","Tris(dimethylamido)bis(dimethylamine)titanium(IV) chlorido[tris(pentafluorophenyl)boron‒amido]\ [tris(pentafluorophenyl)boron‒nitrido]bis(dimethylamine)titanate(IV) toluene solvate","","- C114 H111 B4 Cl2 F60 N18 Ti4 -","- C107 H103 B4 Cl2 F60 N18 Ti4 -","- C107 H103 B4 Cl2 F60 N18 Ti4 -","1","0.5","GG3107","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.","Tris(dimethylamido)bis(dimethylamine)titanium(IV) chloridobis(dimethylamine)[tris(pentafluorophenyl)boron‒amido][tris(pentafluorophenyl)boron‒nitrido]titanate(IV) toluene solvate","Acta Crystallographica Section C","2007","63","9","m401","m404","10.1107/S0108270107035238","","","0.71073","MoKα","","0.0956","0.058","","","0.1306","0.1439","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016157","8.1491","0.0005","15.9071","0.001","29.495","0.002","90","","91.379","0.001","90","","3822.3","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Iodidomesityltellurium(II) iodidotrimesitylditellurium(II)(Te—Te)","","- C36 H44 I2 Te3 -","- C36 H44 I2 Te3 -","- C144 H176 I8 Te12 -","4","1","GG3108","Copolovici, Lucian; Silvestru, Cristian; Lippolis, Vito; Varga, Richard A.","Iodidomesityltellurium(II) iodidotrimesitylditellurium(II)(<i>Te{—</i>Te})","Acta Crystallographica Section C","2007","63","9","o528","o529","10.1107/S0108270107035123","","","0.71073","MoKα","","0.0759","0.0604","","","0.1209","0.1271","","","","","","1.231","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016158","5.2767","0.0008","5.5375","0.0005","10.2809","0.0013","104.598","0.01","90.393","0.012","104.834","0.01","280.2","0.06","120","2","120","2","","","","","","","","4","P 1","P 1","1","","1-deoxy-1-morpholino-D-fructopyranose","","- C10 H19 N O6 -","- C10 H19 N O6 -","- C10 H19 N O6 -","1","1","GG3112","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets of <i>R</i>~2~^2^(10) and <i>R</i>~4~^4^(24) rings in 1-deoxy-1-morpholino-<small>D</small>-fructopyranose","Acta Crystallographica Section C","2007","63","9","o507","o509","10.1107/S0108270107034312","","","0.71073","MoKα","","0.0373","0.0305","","","0.0699","0.0749","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016159","6.1225","0.0007","15.7539","0.0017","15.202","0.0016","90","","95.936","0.001","90","","1458.4","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(1-(anilino)-2, 2, 2-trichloroethyl)benzenamine","2,2,2-trichloro-<i>N</i>,<i>N</i>'-diphenylethane-1,1-diamine","","- C14 H13 Cl3 N2 -","- C14 H13 Cl3 N2 -","- C56 H52 Cl12 N8 -","4","1","HJ3039","Zhen-Feng Zhang; Dong-Chao Wang; Jian-Ge Wang; Gui-Rong Qu","Two <i>N</i>,<i>N</i>'-diaryl-2,2,2-trichloroethane-1,1-diamines: hydrogen-bonded supramolecular structures in one and two dimensions","Acta Crystallographica Section C","2007","63","9","o524","o527","10.1107/S0108270107034956","","","0.71073","MoKα","","0.0548","0.0373","","","0.0803","0.09","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016160","5.9238","0.0007","14.6193","0.0016","19.093","0.002","90","","96.992","0.001","90","","1641.2","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(1-(p-toluidino)-2,2,2-trichloroethyl)-4-methylbenzenamine","2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methylphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 -","- C16 H17 Cl3 N2 -","- C64 H68 Cl12 N8 -","4","1","HJ3039","Zhen-Feng Zhang; Dong-Chao Wang; Jian-Ge Wang; Gui-Rong Qu","Two <i>N</i>,<i>N</i>'-diaryl-2,2,2-trichloroethane-1,1-diamines: hydrogen-bonded supramolecular structures in one and two dimensions","Acta Crystallographica Section C","2007","63","9","o524","o527","10.1107/S0108270107034956","","","0.71073","MoKα","","0.0507","0.0378","","","0.0917","0.0992","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016161","11.5241","0.0016","11.6958","0.0016","12.453","0.002","80.499","0.003","62.449","0.002","75.937","0.002","1440.8","0.4","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2- oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-myo-inositol 1,3,5-orthoacetate","","- C32 H34 O11 S -","- C32 H34 O11 S -","- C64 H68 O22 S2 -","2","2","HJ3047","K. Manoj; R. G. Gonnade; M. M. Bhadbhade; M. S. Shashidhar","Different interaction motifs of dipolar S=O···C=O contacts that associate diastereomers of 2,4(6)-di-<i>O</i>-benzoyl-6(4)-<i>O</i>-{[(1<i>S</i>)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-<i>myo</i>-inositol 1,3,5-orthoacetate","Acta Crystallographica Section C","2007","63","9","o555","o558","10.1107/S0108270107035858","","","0.71073","MoKα","","0.0543","0.0523","","","0.1338","0.1362","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016162","5.2347","0.001","7.1855","0.0013","8.9972","0.0016","110.756","0.012","96.827","0.013","99.511","0.019","306.28","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","2'-deoxyimmunosine","5-amino-3-(2-deoxy-β-D-erythro-pentofuranosyl)thiazolo[4,5-d]pyrimidine- 2,7-(3H,6H)-dione","","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","- C10 H12 N4 O5 S -","1","1","JZ3073","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","2'-Deoxyimmunosine: a thiazolo[4,5-<i>d</i>]pyrimidine nucleoside adopting the <i>syn</i> conformation","Acta Crystallographica Section C","2007","63","9","o549","o551","10.1107/S010827010703750X","","","0.71073","MoKα","","0.0267","0.0266","","","0.0727","0.0728","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016163","9.793","0.002","10.17","0.002","14.374","0.002","82.78","0.02","80.07","0.02","78.35","0.02","1374.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>O</i>-phenyl triphenylphosphoniummethylenephosphonate phenol solvate","","- C31 H28 O4 P2 -","- C31 H28 O4 P2 -","- C62 H56 O8 P4 -","2","1","SK3145","Chęcińska, Lilianna; Rybarczyk-Pirek, Agnieszka J.; Kudzin, Zbigniew H.; Okruszek, Andrzej","<i>O</i>-Phenyl (triphenylphosphoniomethyl)phosphonate phenol solvate: supramolecular structure generated by O—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2007","63","9","o504","o506","10.1107/S0108270107032453","","","0.71069","MoKα","","0.0612","0.0328","","","0.0793","0.082","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016164","12.3516","0.0008","7.5202","0.0004","17.1564","0.0013","90","","100.699","0.005","90","","1565.89","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C68 H56 N16 O16 -","4","1","SK3149","Portilla, Jaime; Mata, Ernesto G.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","Acta Crystallographica Section C","2007","63","9","o510","o513","10.1107/S010827010703346X","","","0.71073","MoKα","","0.103","0.0564","","","0.1403","0.1775","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016165","31.0506","0.0004","5.421","0.0011","20.7251","0.0012","90","","121.071","0.006","90","","2988","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","SK3149","Portilla, Jaime; Mata, Ernesto G.; Cobo, Justo; Low, John N.; Glidewell, Christopher","Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1<i>H</i>-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1<i>H</i>-pyrazol-3-yl)amino]benzoate","Acta Crystallographica Section C","2007","63","9","o510","o513","10.1107/S010827010703346X","","","0.71073","MoKα","","0.0762","0.0479","","","0.1111","0.1336","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016166","10.4339","0.0003","11.1284","0.0003","17.1616","0.0005","90","","96.014","0.0001","90","","1981.71","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-benzoato-κ^2^O:O)bis{[4-(dimethylamino)pyridine-κN^1^]copper(II)}","","- C42 H40 Cu2 N4 O8 -","- C42 H40 Cu2 N4 O8 -","- C84 H80 Cu4 N8 O16 -","2","0.5","SK3150","Bora, Sanchay Jyoti; Sarmah, Purabi; Phukan, Prodeep; Das, Birinchi K.","Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>)bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]copper(II)}","Acta Crystallographica Section C","2007","63","9","m392","m394","10.1107/S0108270107034944","","","0.71073","MoKα","","0.0335","0.0262","","","0.0681","0.072","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016167","12.715","0.003","5.133","0.001","14.406","0.004","90","","113.63","0.01","90","","861.4","0.4","273","2","179","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-dihydrobenzotriazolium hydrogensulfate","","- C6 H7 N3 O4 S -","- C6 H7 N3 O4 S -","- C24 H28 N12 O16 S4 -","4","1","SQ3078","Angel Ramos-Organillo; Rosalinda Contreras","A new sulfate acid polymorph of 1,3-dihydrobenzotriazole","Acta Crystallographica Section C","2007","63","9","o501","o503","10.1107/S0108270107031241","","","0.71073","MoKα","","0.046","0.0352","","","0.0864","0.0947","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016168","5.4455","0.0002","5.44546","","12.2649","0.0009","90","","90","","120","","314.97","0.03","297","","297","","","","","","","","","2","R -3 m :H","-R 3 2""","166","boron subnitride","boron nitride","","- B13 N2 -","- B13 N2 -","- B39 N6 -","3","0.0833333","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016169","8.7979","0.0018","8.7979","","5.037","0.003","90","","90","","90","","389.9","0.2","297","","297","","","","","","","","","1","P -4 n 2","P -4 -2n","118","boron-rich nitride","boron nitride","","- B -","- B0.96 -","- B48 -","50","6.25","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016170","2.49824","0.00008","2.49824","","6.6357","0.0002","90","","90","","120","","35.8662","0.0016","297","","297","","","","","","","","","2","P -6 m 2","P -6 2","187","hexagonal boron nitride","boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016171","10.1398","0.0003","10.1398","","10.1398","","65.351","0.003","65.3509","","65.3509","","823.05","0.03","297","","297","","","","","","","","","1","R -3 m :R","-P 3* 2","166","beta-rhombohedral boron","boron","","- B -","- B -","- B105 -","105","8.75","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016172","7.0453","","7.0453","","9.6","0.01","90","","90","","120","","412.7","0.4","297","","297","","","","","","","","","3","P 32","P 32","145","boric acid","boric acid","","- B H3 O3 -","- B H3 O3 -","- B6 H18 O18 -","6","2","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016173","2.54","","2.54","","6.598","0.003","90","","90","","120","","36.865","0.017","297","","297","","","","","","","","","2","P -6 m 2","P -6 2","187","","boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.166667","SQ3084","Kurakevych, Oleksandr O.; Solozhenko, Vladimir L.","Rhombohedral boron subnitride, B~13~N~2~, by X-ray powder diffraction","Acta Crystallographica Section C","2007","63","9","i80","i82","10.1107/S0108270107037353","","","1.5406","CuKα","","","","","","","","","","3.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016174","8.3038","0.0002","10.1267","0.0003","11.2984","0.0003","76.733","0.002","79.565","0.002","86.276","0.002","909.16","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua-1κO,2κ^3^O-(μ-2,4-dinitrophenolato-1κ^2^O^1^,O^2^:2κO^1^)\ (2,4-dinitrophenolato-1κ^2^O^1^,O^2^)dilithium(I)","","- C12 H14 Li2 N4 O14 -","- C12 H14 Li2 N4 O14 -","- C24 H28 Li4 N8 O28 -","2","1","SQ3089","Kim, Eun-Ju; Kim, Chong-Hyeak; Yun, Sock-Sung","Tetraaqua-1κ<i>O</i>,2κ^3^<i>O</i>-(μ-2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ<i>O</i>^1^)(2,4-dinitrophenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^)dilithium(I): a dinuclear lithium(I) complex","Acta Crystallographica Section C","2007","63","9","m427","m429","10.1107/S0108270107037651","","","0.71073","MoKα","","0.0483","0.037","","","0.1055","0.1152","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016175","16.3631","0.0018","5.6428","0.0005","9.1251","0.0008","90","","101.418","0.01","90","","825.88","0.14","100","1","100","1","","","","","","","","4","P 1 c 1","P -2yc","7","N,N'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","2,2'-[pentane-1,5-diylbis(nitrilomethylidyne)]diphenol","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","SQ3092","Pospieszna-Markiewicz, Izabela; Kozłowski, Michał; Radecka-Paryzek, Wanda; Kubicki, Maciej","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)pentane-1,5-diamine","Acta Crystallographica Section C","2007","63","9","o559","o561","10.1107/S0108270107037900","","","0.71073","MoKα","","0.0753","0.0626","","","0.1067","0.1132","","","","","","1.146","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016176","11.787","0.003","12.554","0.003","3.9242","0.0007","90","","90","","90","","580.7","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","poly[di-μ~2~-bromido-μ~2~-4,4'-bipyridine-cadmium(II)]","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.125","TR3011","Wen-Tong Chen; Xiao-Niu Fang; Qiu-Yan Luo; Ya-Ping Xu; Yan-Ping Duan","Poly[μ~2~-4,4'-bipyridine-di-μ~2~-bromido-cadmium(II)], with novel colour-tunable fluorescence","Acta Crystallographica Section C","2007","63","9","m398","m400","10.1107/S0108270107030028","","","0.71073","MoKα","","0.017","0.0168","","","0.0422","0.0423","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016177","16.144","0.0004","12.7191","0.0003","14.6859","0.0003","90","","90","","90","","3015.56","0.12","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H46 N10 O8 Zr3 -","- Co2 F18 H30 N10 O8 Zr3 -","- Co8 F72 H120 N40 O32 Zr12 -","4","0.25","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0515","0.0473","","","0.107","0.1094","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016178","16.037","0.0003","14.692","0.0002","12.9942","0.0002","90","","90","","90","","3061.64","0.09","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","bis[hexaamminecobalt(III)] tetra-μ~2~-fluorido-tetradecafluoridotrizirconium(IV) hexahydrate","","- Co2 F18 H48 N12 O6 Zr3 -","- Co2 F18 H36 N12 O6 Zr3 -","- Co8 F72 H144 N48 O24 Zr12 -","4","0.5","BC3047","Gubanov, Alexander I.; Kuratieva, Natalia V.","Double complexes [Co(NH~3~)~5~(H~2~O)]~2~[Zr~3~F~18~]·6H~2~O and [Co(NH~3~)~6~]~2~[Zr~3~F~18~]·6H~2~O","Acta Crystallographica Section C","2007","63","10","i83","i85","10.1107/S010827010704108X","","","0.71073","MoKα","","0.0497","0.0408","","","0.1052","0.1096","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016179","11.5536","0.0006","18.4508","0.0009","18.9844","0.001","90","","90","","90","","4047","0.4","84","2","84","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4,4'-DPyH2)2.(FeBr4)3.Br","bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","","- C20 H20 Br13 Fe3 N4 -","- C20 H20 Br13 Fe3 N4 -","- C80 H80 Br52 Fe12 N16 -","4","1","BG3043","Ali, Basem Fares; Al-Far, Rawhi","A novel framework of N—H···Br hydrogen bonds forming Br(4,4'-bipyridinium)~4~ supramolecular synthons: bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","Acta Crystallographica Section C","2007","63","10","m451","m453","10.1107/S0108270107039856","","","0.71073","MoKα","","0.0425","0.0301","","","0.052","0.0547","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016180","7.2117","0.0001","12.9868","0.0003","14.247","0.0004","90","","90","","90","","1334.33","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0533","0.0395","","","0.0922","0.1008","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016181","7.1118","0.0002","12.9364","0.0003","14.1538","0.0004","90","","90","","90","","1302.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0358","0.0317","","","0.081","0.0838","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016182","8.062","0.005","17.955","0.008","11.853","0.006","90","","98.26","0.02","90","","1698","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaqua-bis(2-methoxybenzaldehyde isonicotinoylhydrazonato)- cadmium(II) dinitrate","","- C28 H34 Cd N8 O14 -","- C28 H34 Cd N8 O14 -","- C56 H68 Cd2 N16 O28 -","2","0.5","BM3034","Fu, Zhongwu; Gao, Shaokang; Liu, Shixiong","Tetraaquabis(2-methoxybenzaldehyde isonicotinoylhydrazone)cadmium(II) dinitrate","Acta Crystallographica Section C","2007","63","10","m459","m461","10.1107/S0108270107044010","","","0.71073","MoKα","","0.0343","0.0278","","","0.0696","0.073","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016183","9.657","0.004","12.969","0.005","12.962","0.006","90","","107.092","0.017","90","","1551.7","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[1,3-di(5-methyl-2-pyridyl)phenyl-κ3N,N',C2]platinum(II)","","- C18 H15 Cl N2 Pt -","- C18 H15 Cl N2 Pt -","- C72 H60 Cl4 N8 Pt4 -","4","1","BM3040","Taichi Abe; Kazuteru Shinozaki; Noriaki Ikeda; Takayoshi Suzuki","[2,6-Bis(5-methyl-2-pyridyl)phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']chloridoplatinum(II)","Acta Crystallographica Section C","2007","63","10","m456","m458","10.1107/S0108270107044009","","","0.71075","MoKα","","0.0194","0.0177","","","0.0384","0.039","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016184","5.4258","0.0004","10.2027","0.0008","8.9074","0.0007","90","","90.502","0.005","90","","493.08","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Kolbeckite","scandium phosphate dihydrate","","- H4 O6 P Sc -","- H4 O6 P Sc -","- H16 O24 P4 Sc4 -","4","1","FA3100","Yang, Hexiong; Li, Chen; Jenkins, Robert A.; Downs, Robert T.; Costin, Gelu","Kolbeckite, ScPO~4~·2H~2~O, isomorphous with metavariscite","Acta Crystallographica Section C","2007","63","10","i91","i92","10.1107/S0108270107038036","","","0.71073","MoKα","","0.0636","0.0519","","","0.1462","0.1676","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016186","10.749","0.003","10.749","0.003","6.899","0.004","90","","90","","90","","797.1","0.6","298","2","298","2","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","strontium undecazinc","","- Sr Zn11 -","- Sr Zn11 -","- Sr4 Zn44 -","4","0.125","FA3104","Kal, Subhadeep; Stoyanov, Emil; Groy, Thomas L.; Häussermann, Ulrich","SrZn~11~: a new binary compound with the BaCd~11~ structure","Acta Crystallographica Section C","2007","63","10","i96","i98","10.1107/S0108270107041972","","","0.71073","MoKα","","0.0481","0.0341","","","0.0724","0.0766","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016187","6.6377","0.0002","10.1397","0.0003","21.9214","0.0006","76.609","0.001","86.563","0.01","90.004","0.001","1432.56","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","2,6-bis(azaindole)pyridine","2,6-bis(1H-pyrrolo[2,3-b]pyridin-1-yl)pyridine","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","2","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","1.54178","CuKα","","0.054","0.0457","","","0.1149","0.1221","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016188","6.6695","0.0001","23.2657","0.0004","13.3959","0.0002","90","","100.312","0.001","90","","2045.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[6-(1H-Pyrrolo[2,3-b]pyridin-1-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridin-7-ium tetrachloridoferrate(III)","","- C19 H14 Cl4 Fe N5 -","- C19 H14 Cl4 Fe N5 -","- C76 H56 Cl16 Fe4 N20 -","4","1","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","1.54178","CuKα","","0.0349","0.0289","","","0.0716","0.0749","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016189","17.3858","0.0012","12.8324","0.0008","8.4011","0.0006","90","","94.726","0.002","90","","1867.9","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2,6-bis(1H-pyrrolo[2,3-b]pyridin-1-yl-κN^7^)pyridine-κN]bis(nitrato-\ κO)copper(II)","","- C19 H13 Cu N7 O6 -","- C19 H13 Cu N7 O6 -","- C76 H52 Cu4 N28 O24 -","4","0.5","GD3124","Collins, Sibrina N.; Taylor, Stephen; Krause, Jeanette A.; Connick, William B.","2,6-Bis(azaindole)pyridine: reactivity with iron(III) and copper(II) salts","Acta Crystallographica Section C","2007","63","10","m436","m439","10.1107/S0108270107039686","","","0.7749","synchrotron","","0.0531","0.0516","","","0.1322","0.134","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016190","12.377","0.003","7.562","0.002","7.88","0.002","90","","91.509","0.003","90","","737.3","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-methyl-5-oxo-2-pyrroline-3-carboxylate","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","GD3127","Zhen-Feng Zhang; Jian-Ge Wang; Si-Qian Wang; Gui-Rong Qu","Two substituted 2-pyrrolin-5-ones: chains built from a single N—H···O hydrogen bond","Acta Crystallographica Section C","2007","63","10","o565","o567","10.1107/S0108270107038632","","","0.71073","MoKα","","0.0585","0.0476","","","0.1335","0.1423","","","","","","1.314","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016191","12.1211","0.0018","7.5078","0.0011","7.9542","0.0012","90","","106.74","0.002","90","","693.18","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-acetyl-2-methyl-2-pyrrolin-5-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","GD3127","Zhen-Feng Zhang; Jian-Ge Wang; Si-Qian Wang; Gui-Rong Qu","Two substituted 2-pyrrolin-5-ones: chains built from a single N—H···O hydrogen bond","Acta Crystallographica Section C","2007","63","10","o565","o567","10.1107/S0108270107038632","","","0.71073","MoKα","","0.0429","0.039","","","0.1199","0.1243","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016192","7.0875","0.0002","7.2827","0.0002","7.2971","0.0002","114.534","0.001","95.685","0.001","116.754","0.001","286.374","0.015","140","1","140","0.1","","","","","","","","3","P -1","-P 1","2","5,6,11,12-Tetrathiadibenzo[a,e]cyclooctene","2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene","","- C12 H8 S4 -","- C12 H8 S4 -","- C12 H8 S4 -","1","0.5","GD3134","Yearley, Eric J.; Lippert, Ernest L.; Mitchell, Donald J.; Pinkerton, A. Alan","2,3,10,11-Tetrathiatricyclo[10.4.0.0^4,9^]hexadeca-4,6,8,12,14,16-hexaene (precession camera <i>versus</i> CCD)","Acta Crystallographica Section C","2007","63","10","o576","o577","10.1107/S0108270107040358","","","0.71073","MoKα","","0.0242","0.0231","","","0.0666","0.0674","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016193","8.63","0.003","11.449","0.004","11.629","0.004","116.353","0.017","92.09","0.02","98.82","0.02","1010.3","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride monohydrate","","- C17 H24 Cl2 N4 O5 -","- C17 H24 Cl2 N4 O5 -","- C34 H48 Cl4 N8 O10 -","2","1","GD3137","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla","Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane","Acta Crystallographica Section C","2007","63","10","o597","o599","10.1107/S010827010704156X","","","0.71073","MoKα","","0.0492","0.0386","","","0.1029","0.1126","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016194","7.075","0.002","15.844","0.008","18.554","0.006","90","","90","","90","","2079.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride","","- C17 H22 Cl2 N4 O5 -","- C17 H22 Cl2 N4 O5 -","- C68 H88 Cl8 N16 O20 -","4","1","GD3137","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla","Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane","Acta Crystallographica Section C","2007","63","10","o597","o599","10.1107/S010827010704156X","","","0.71073","MoKα","","0.0811","0.0547","","","0.1294","0.1445","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016195","7.317","0.007","9.604","0.003","12.799","0.005","88.47","0.03","86.06","0.05","87.74","0.05","896.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)]","","- C36 H28 Mn2 N4 O16 S2 -","- C36 H28 Mn2 N4 O16 S2 -","- C36 H28 Mn2 N4 O16 S2 -","1","0.5","GD3138","Zhao-Xun Lian; Jia-Min Zhang; Ming-Lu Xu; Guang-Ri Xu; Tian-Jun Lou","Bis(μ-4-carboxy-2-sulfonatobenzoato)bis[aqua(2,2'-bipyridyl)manganese(II)]","Acta Crystallographica Section C","2007","63","10","m445","m447","10.1107/S0108270107040498","","","1.54178","CuKα","","0.0458","0.0376","","","0.102","0.1053","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016196","16.0762","0.0011","9.5937","0.0005","16.1552","0.0011","90","","106.402","0.004","90","","2390.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Bis(dimethyl sulfide)dinitratoplatinum(II)","","- C4 H12 N2 O6 Pt S2 -","- C4 H12 N2 O6 Pt S2 -","- C32 H96 N16 O48 Pt8 S16 -","8","2","GG3113","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","10","m465","m468","10.1107/S0108270107040504","","","0.71073","MoKα","","0.0769","0.0454","","","0.1112","0.1198","","","","","","0.951","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016197","15.9689","0.0007","9.502","0.0003","16.0399","0.0007","90","","105.94","0.003","90","","2340.26","0.17","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-Bis(dimethyl sulfide)dinitratoplatinum(II)","","- C4 H12 N2 O6 Pt S2 -","- C4 H12 N2 O6 Pt S2 -","- C32 H96 N16 O48 Pt8 S16 -","8","2","GG3113","Hansson, Christian; Oskarsson, Åke","<i>cis</i>-Bis(dimethyl sulfide)dinitratoplatinum(II) at 295 and 150K","Acta Crystallographica Section C","2007","63","10","m465","m468","10.1107/S0108270107040504","","","0.71073","MoKα","","0.044","0.0324","","","0.0741","0.0769","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016198","6.3357","0.0009","15.523","0.0002","25.3654","0.0006","90","","90","","90","","2494.7","0.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-methoxy-3,3-dimethyl-3H-benzo[f]chromene","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.065","0.0397","","","0.0983","0.1079","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016199","10.735","0.0002","13.7043","0.0003","12.0692","0.0002","90","","106.343","0.001","90","","1703.83","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C80 H84 Br4 O8 -","4","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.0385","0.0264","","","0.069","0.0882","","","","","","1.181","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016200","19.8534","0.0006","11.5705","0.0002","14.0258","0.0004","90","","113.393","0.0013","90","","2957.09","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua(18-crown-6)cerium(III) hexacyanoferrate(III) dihydrate","","- C18 H36 Ce Fe N6 O12 -","- C18 H36 Ce Fe N6 O12 -","- C72 H144 Ce4 Fe4 N24 O48 -","4","0.5","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0278","0.0228","","","0.0473","0.0487","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016201","19.9552","0.0006","11.5063","0.0002","13.9706","0.0003","90","","113.419","0.0011","90","","2943.55","0.12","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaqua(18-crown-6)neodymium(III) hexacyanoferrate(III) dihydrate","","- C18 H36 Fe N6 Nd O12 -","- C18 H36 Fe N6 Nd O12 -","- C72 H144 Fe4 N24 Nd4 O48 -","4","0.5","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0207","0.0184","","","0.0425","0.0433","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016202","10.9324","0.0002","11.0996","0.0002","14.0119","0.0004","67.9012","0.0013","70.7291","0.0013","65.7231","0.0014","1404.76","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Triaqua(18-crown-6)samarium(III) hexacyanoferrate(III) dihydrate","","- C18 H34 Fe N6 O11 Sm -","- C18 H34 Fe N6 O11 Sm -","- C36 H68 Fe2 N12 O22 Sm2 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.04","0.0301","","","0.0631","0.0671","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016203","10.9125","0.0003","11.0947","0.0004","14.0119","0.0003","67.8201","0.0018","70.635","0.002","65.743","0.002","1400.57","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Triaqua(18-crown-6)europium(III) hexacyanoferrate(III) dihydrate","","- C18 H34 Eu Fe N6 O11 -","- C18 H34 Eu Fe N6 O11 -","- C36 H68 Eu2 Fe2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0808","0.077","","","0.2077","0.2116","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016204","11.0563","0.0002","11.1562","0.0002","14.2127","0.0003","68.3494","0.0011","70.0959","0.0012","66.0299","0.0012","1450.92","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","triaqua(18-crown-6)gadolinium(III) hexacyanochromate(III) dihydrate","","- C18 H34 Cr Gd N6 O11 -","- C18 H34 Cr Gd N6 O11 -","- C36 H68 Cr2 Gd2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0418","0.0403","","","0.1068","0.1078","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016205","10.8604","0.0002","11.0724","0.0003","13.9909","0.0002","67.5857","0.001","70.587","0.0008","65.5666","0.0009","1385.2","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","triaqua(18-crown-6)gadolinium(III) hexacyanocobaltate(III) dihydrate","","- C18 H34 Co Gd N6 O11 -","- C18 H34 Co Gd N6 O11 -","- C36 H68 Co2 Gd2 N12 O22 -","2","1","GG3119","Misra, Phalguni; Koner, Rajesh; Nayak, Malabika; Mohanta, Sasankasekhar; Low, John N.; Ferguson, George; Glidewell, Christopher","Hydrated hexacyanometallate(III) salts of triaqua(18-crown-6)lanthanoid(III) and tetraaqua(18-crown-6)lanthanoid(III) cations containing nine- and ten-coordinate lanthanoids","Acta Crystallographica Section C","2007","63","10","m440","m444","10.1107/S0108270107040449","","","0.71073","MoKα","","0.0218","0.0197","","","0.046","0.0466","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016206","13.1084","0.001","5.6177","0.0002","17.6911","0.0013","90","","113.566","0.007","90","","1194.11","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzylmethylammonium hydrogen maleate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","GZ3098","Santacruz, Lynay; Abonia, Rodrigo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in benzylmethylammonium hydrogen maleate","Acta Crystallographica Section C","2007","63","10","o585","o587","10.1107/S0108270107040450","","","0.71073","Mo-Kα","","0.0925","0.047","","","0.1061","0.133","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016207","5.877","0.004","14.939","0.003","32.128","0.005","90","","95.04","0.02","90","","2810","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TACN-3Ts","1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane","","- C27 H33 N3 O6 S3 -","- C27 H33 N3 O6 S3 -","- C108 H132 N12 O24 S12 -","4","1","HJ3048","André, Vânia; Barroso, Sónia; Martins, Ana M.; Duarte, M. Teresa","A new conformer of 1,4,7-tris(<i>p</i>-tolylsulfonyl)-1,4,7-triazacyclononane","Acta Crystallographica Section C","2007","63","10","o594","o596","10.1107/S010827010703805X","","","0.71069","MoKα","","0.1188","0.0643","","","0.1229","0.1406","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016208","7.9585","0.0001","16.8134","0.0004","21.622","0.0005","90","","90","","90","","2893.23","0.1","120","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[[bis(nitrato-κ^2^O,O')copper(II)]-μ-propane-1,3- diylbis(diphenylphosphine oxide)-κ<i>O</i>:<i>O'</i>]","","- C27 H26 Cu N2 O8 P2 -","- C27 H26 Cu N2 O8 P2 -","- C108 H104 Cu4 N8 O32 P8 -","4","0.5","HJ3050","Platt, Andrew W. G.; Lees, Anthony M. J.","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-propane-1,3-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2007","63","10","m433","m435","10.1107/S0108270107038711","","","0.71073","MoKα","","","0.0383","","","","0.082","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016209","6.8022","0.0004","6.8022","0.0004","12.3759","0.0007","90","","90","","90","","572.63","0.06","295","2","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","yttrium pyrogermanate","diyttrium digermanate","","- Ge2 O7 Y2 -","- Ge2 O7 Y2 -","- Ge8 O28 Y8 -","4","0.5","IZ3026","Redhammer, Günther J.; Roth, Georg; Amthauer, Georg","Yttrium pyrogermanate, Y~2~Ge~2~O~7~","Acta Crystallographica Section C","2007","63","10","i93","i95","10.1107/S0108270107042825","","","0.71073","MoKα","","","0.0203","","","","0.0512","","","","","","1.193","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016210","7.7618","0.0014","9.688","0.002","17.707","0.003","90","","90","","90","","1331.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-diamino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-bromo-7H- pyrrolo[2,3-d]pyrimidine","","- C11 H13 Br F N5 O3 -","- C11 H13 Br F N5 O3 -","- C44 H52 Br4 F4 N20 O12 -","4","1","SF3039","Seela, Frank; Ding, Ping; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","The 7-bromo derivative of 2-amino-2'-deoxytubercidin fluorinated at the sugar moiety","Acta Crystallographica Section C","2007","63","10","o600","o602","10.1107/S0108270107027138","","","0.71073","MoKα","","0.052","0.0396","","","0.0986","0.1058","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016211","7.4534","0.0007","9.0663","0.0008","10.6966","0.0009","90","","90","","90","","722.82","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-β-D-glucopyranose","3-deoxy-β-D-ribo-hexopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SF3042","Zhang, Wenhui; Noll, Bruce C.; Serianni, Anthony S.","3-Deoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose (3-deoxy-β-<small>D</small>-glucopyranose)","Acta Crystallographica Section C","2007","63","10","o578","o581","10.1107/S0108270107038553","","","1.54178","CuKα","","0.0259","0.0256","","","0.0681","0.0685","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016212","14.8006","0.001","15.1969","0.001","18.1644","0.0012","79.708","0.002","67.589","0.002","71.879","0.002","3581.3","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","2,5-Bis(dimethylamino)-2,3,5,6-tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate","","- C38.67 H32.67 B4 F24 N2 O6.67 -","- C38.6667 H32.6667 B4 F24 N2 O6.66667 -","- C116 H98 B12 F72 N6 O20 -","3","1.5","SF3048","Clegg, William; Marder, Todd B.; Nlate, Sylvain; Scott, Andrew J.","2,3,5,6-Tetrakis[3,5-bis(trifluoromethyl)phenoxy]-2,5-bis(dimethylamino)2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate","Acta Crystallographica Section C","2007","63","10","o603","o605","10.1107/S010827010703569X","","","0.71073","MoKα","","0.123","0.0692","","","0.1751","0.2036","","","","","","0.925","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016213","12.8094","0.0008","12.8094","0.0008","10.7854","0.0013","90","","90","","120","","1532.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","cis,cis-cyclohexane-1,3,5-tricarboxamide","cis,cis-cyclohexane-1,3,5-tricarboxamide","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C54 H90 N18 O18 -","6","0.333333","SF3051","Binoy K. Saha","Hexagonal packing of <i>cis</i>,<i>cis</i>-cyclohexane-1,3,5-tricarboxamide","Acta Crystallographica Section C","2007","63","10","o591","o593","10.1107/S0108270107040048","","","0.71073","MoKα","","0.0389","0.0345","","","0.0949","0.0983","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016214","7.4161","0.0002","21.674","0.0006","9.0312","0.0003","90","","108.233","0.006","90","","1378.76","0.08","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1H-tetrazole","","- C12 H8 N6 O2 S2 -","- C12 H8 N6 O2 S2 -","- C48 H32 N24 O8 S8 -","4","1","SF3052","Brito, Iván; Mundaca, Aldo; Cárdenas, Alejandro; López-Rodríguez, Matías","5-(5-Nitropyridin-2-yldithio)-1-phenyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2007","63","10","o606","o608","10.1107/S010827010704142X","","","0.71073","MoKα","","","0.0497","","","","0.1387","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016215","21.347","0.004","14.852","0.003","25.087","0.005","90","","90","","90","","7954","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Aqua-2κO-μ-{N,N'-bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^N,N')- copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C276 H320 Cl16 Cu8 N64 Ni8 O92 -","8","1","SF3053","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Liu, Jin-Liang","Aqua-2κ<i>O</i>-μ-{<i>N</i>,<i>N</i>'-bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","Acta Crystallographica Section C","2007","63","10","m462","m464","10.1107/S0108270107042643","","","0.71073","MoKα","","0.0991","0.0503","","","0.1345","0.1855","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","194546","2020-10-21","18:00:00",""
"2016216","7.9252","0.0009","9.2783","0.001","9.4118","0.001","62.192","0.002","73.725","0.002","69.787","0.002","568.51","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis-μ-3, 3'-bis(2-methylimidazol-1-yl)methyl]dinitratocadmium(II)]","","- C18 H24 Cd N10 O6 -","- C18 H24 Cd N10 O6 -","- C18 H24 Cd N10 O6 -","1","0.5","SF3054","Jin, Chuan-Ming; Chen, Cai-Yuan; Wang, Wei-Dong; Wu, Ling-Yan","<i>catena</i>-Poly[[dinitratocadmium(II)]bis[μ-bis(2-methyl-1<i>H</i>-imidazol-1-yl)methane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]]","Acta Crystallographica Section C","2007","63","10","m454","m455","10.1107/S0108270107043454","","","0.71073","MoKα","","0.0357","0.0313","","","0.0667","0.068","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016217","13.117","0.0018","15.948","0.003","17.717","0.002","93.75","0.011","91.803","0.009","101.155","0.013","3624.7","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-<i>tert</i>-Butyl-7-(4-chlorophenyl)-10-phenyl-5,6-dihydro-10<i>H</i>- benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline","","- C30 H26 Cl N3 -","- C30 H26 Cl N3 -","- C180 H156 Cl6 N18 -","6","3","SK3154","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","8-<i>tert</i>-Butyl-7-(4-chlorophenyl)-10-phenyl-5,6-dihydro-10<i>H</i>-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section C","2007","63","10","o582","o584","10.1107/S0108270107041236","","","0.71073","MoKα","","0.1669","0.0655","","","0.155","0.2106","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016218","12.9514","0.0003","10.49","0.0002","15.2681","0.0005","90","","97.151","0.001","90","","2058.19","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1H-imidazole- κN^3^)(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","","- C22 H17 Mn N5 O5 -","- C22 H17 Mn N5 O5 -","- C88 H68 Mn4 N20 O20 -","4","1","SK3161","Ma, Cheng-Bing; Chen, Chang-Neng; Liu, Qiu-Tian","Aqua(dipicolinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)(1,10-phenanthroline-<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section C","2007","63","10","m469","m472","10.1107/S0108270107044976","","","0.71073","MoKα","","","0.049","","","0.109","0.1281","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016219","4.8087","0.0006","7.4678","0.001","9.5748","0.0011","101.734","0.013","93.643","0.014","105.869","0.011","321.22","0.08","120","2","150","2","","","","","","","","4","P -1","-P 1","2","Ammonium violurate","Ammonium violurate","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C8 H12 N8 O8 -","2","1","SK3165","Nichol, Gary S.; Clegg, William","Ammonium violurate: a compact structure with extensive hydrogen bonding in three dimensions","Acta Crystallographica Section C","2007","63","10","o609","o612","10.1107/S0108270107044241","","","0.71073","MoKα","","0.0794","0.0539","","","0.1189","0.1328","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016220","30.796","0.006","5.2836","0.0011","24.594","0.005","90","","122.87","0.03","90","","3361.1","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","lithium bismuth triphosphate","lithium haptabismuth triphosphorus nonadecaoxide","","- Bi58.94 Li8 O152 P24 -","- Bi58.944 Li8 O152 P24 -","- Bi58.944 Li8 O152 P24 -","1","0.125","SQ3091","Arumugam, Nachiappan; Lynch, Vincent; Steinfink, Hugo","A new pillared lithium bismuth phosphate, LiBi~7.37~P~3~O~19~, with elliptical channels","Acta Crystallographica Section C","2007","63","10","i86","i88","10.1107/S0108270107038772","","","0.71073","MoKα","","0.0493","0.0493","","","0.1337","0.1337","","","","","","1.171","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016221","6.458","0.0002","18.0522","0.0005","7.5331","0.0003","90","","95.758","0.002","90","","873.79","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diaquatetrakis(urea)nickel(II) nitrate","Diaquatetrakis(urea-κO)nickel(II) dinitrate","","- C4 H20 N10 Ni O12 -","- C4 H20 N10 Ni O12 -","- C8 H40 N20 Ni2 O24 -","2","0.5","SQ3094","Krawczuk, Anna; Stadnicka, Katarzyna","Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co","Acta Crystallographica Section C","2007","63","10","m448","m450","10.1107/S0108270107040437","","","0.71073","MoKα","","0.0365","0.0289","","0.0716","","0.0766","","","1.036","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016222","6.4655","0.0002","17.9321","0.0005","7.6201","0.0002","90","","94.428","0.001","90","","880.84","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Diaquatetrakis(urea)cobalt(II) nitrate","Diaquatetrakis(urea-κO)cobalt(II) nitrate","","- C4 H20 Co N10 O12 -","- C4 H20 Co N10 O12 -","- C8 H40 Co2 N20 O24 -","2","0.5","SQ3094","Krawczuk, Anna; Stadnicka, Katarzyna","Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co","Acta Crystallographica Section C","2007","63","10","m448","m450","10.1107/S0108270107040437","","","0.71073","MoKα","","0.0462","0.0322","","","0.074","0.0815","","","1.038","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016223","10.1489","0.0011","19.2851","0.0016","10.1658","0.0011","90","","100.286","0.008","90","","1957.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetraphenyldiboroxane","oxybis(diphenylborane)","","- C24 H20 B2 O -","- C24 H20 B2 O -","- C96 H80 B8 O4 -","4","1","SQ3095","Kaufmann, Linda; Lerner, Hans-Wolfram; Bolte, Michael","A new polymorph of tetraphenyldiboroxane","Acta Crystallographica Section C","2007","63","10","o588","o590","10.1107/S0108270107041352","","","0.71073","MoKα","","0.1064","0.0515","","","0.0946","0.1106","","","","","","0.947","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016224","7.1447","0.0004","8.412","0.0005","12.3958","0.0007","80.285","0.001","74.434","0.001","82.718","0.001","704.78","0.07","299","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-aminopyrimidinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C12 H14 N2 O7 S -","- C12 H14 N2 O7 S -","- C24 H28 N4 O14 S2 -","2","1","AV3101","Meng, Xiang-Gao; Zhou, Chun-Shan; Wang, Li; Liu, Chang-Lin","Two salts of 5-sulfosalicylic acid and 3-aminopyridine","Acta Crystallographica Section C","2007","63","11","o667","o670","10.1107/S0108270107047270","","","0.71073","Mokα","","0.0517","0.0487","","","0.1425","0.1459","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016225","13.9642","0.001","12.8331","0.0009","15.7831","0.0011","90","","114.957","0.002","90","","2564.3","0.3","299","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-aminopyrimidinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H12 N2 O6 S -","- C12 H12 N2 O6 S -","- C96 H96 N16 O48 S8 -","8","2","AV3101","Meng, Xiang-Gao; Zhou, Chun-Shan; Wang, Li; Liu, Chang-Lin","Two salts of 5-sulfosalicylic acid and 3-aminopyridine","Acta Crystallographica Section C","2007","63","11","o667","o670","10.1107/S0108270107047270","","","0.71073","Mokα","","0.1065","0.0553","","","0.1365","0.1507","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016226","10.2082","0.0007","10.3481","0.0007","12.4101","0.0008","91.336","0.001","108.426","0.001","107.536","0.001","1175.71","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","μ-p-phenylenediamine-N,N,N',N'-tetraacetato- bis[aqua(1,10-phenanthroline)nickel(II)]","","- C38 H56 N6 Ni2 O22 -","- C38 H56 N6 Ni2 O22 -","- C38 H56 N6 Ni2 O22 -","1","0.5","AV3107","Zhang, Xiang-Dong; Ge, Chun-Hua; Yu, Fang; Liu, Qi-Tao; Zhu, Miao-Li","Formation of a one-dimensional water chain containing two linking patterns of planar water tetramers","Acta Crystallographica Section C","2007","63","11","m519","m521","10.1107/S0108270107047294","","","0.71073","MoKα","","0.0393","0.0331","","","0.0805","0.0833","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016227","12.603","0.003","18.014","0.003","14.658","0.004","90","","110.392","0.005","90","","3119.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[diaquabis(2,2-bipyridine N,N'-dioxide-<i>κ</i>^2^O,O')cobalt(II)] ξ-octamolybdate dihydrate","","- C40 H44 Co2 Mo8 N8 O40 -","- C40 H44 Co2 Mo8 N8 O40 -","- C80 H88 Co4 Mo16 N16 O80 -","2","0.5","BG3034","Tan Su; Ya-Qian Lan","Bis[diaquabis(2,2-bipyridine <i>N</i>,<i>N</i>'-dioxide-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)] {ξi}-octamolybdate dihydrate","Acta Crystallographica Section C","2007","63","11","m522","m524","10.1107/S0108270107018914","","","0.71069","MoKα","","0.0389","0.0275","","","0.0578","0.0619","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016228","7.8868","0.0013","11.106","0.0018","19.05","0.004","104.686","0.004","93.92","0.005","105.202","0.003","1541.3","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis[5-(4-pyridyl-κN)-2-(2-pyridylmethylsulfanyl)-1,3,4-\ oxadiazole]cadmium(II)]-diμ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C28 H20 Cd N10 O2 S4 -","- C28 H20 Cd N10 O2 S4 -","- C56 H40 Cd2 N20 O4 S8 -","2","1","BG3050","Ye, E; Wu, Ben-Lai; Niu, Yun-Yin; Zhang, Hong-Yun; Hou, Hong-Wei","<i>catena</i>-Poly[[bis[5-(4-pyridyl-κ<i>N</i>)-2-(2-pyridylmethylsulfanyl)-1,3,4-oxadiazole]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","11","m484","m486","10.1107/S0108270107046288","","","0.71073","MoKα","","0.0298","0.0234","","","0.0505","0.0536","","","","","","1.02","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2016229","24.7846","0.0016","13.2694","0.0008","18.9986","0.0013","90","","112.526","0.012","90","","5771.5","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua-bis(2,5-dihydroxybenzoato-κO)bis(1,10-phenanthroline-κ^2^N,N') strontium(II) bis(1,10-phenanthroline) tetrahydrate","","- C62 H54 N8 O14 Sr -","- C62 H54 N8 O14 Sr -","- C248 H216 N32 O56 Sr4 -","4","0.5","BG3052","Duan-Jun Xu; Qian Yang; Li-Jie Ma; Jing-Jing Nie","Diaquabis(2,5-dihydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II) bis(1,10-phenanthroline) tetrahydrate","Acta Crystallographica Section C","2007","63","11","m476","m478","10.1107/S0108270107043430","","","0.71075","MoKα","","0.089","0.043","","","0.094","0.137","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016230","7.2706","0.0005","24.278","0.0004","13.3668","0.0002","90","","100.708","0.004","90","","2318.36","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato-κ^4^O,O':O':O'')bis(μ~3~- hydroxido)bis(μ~2~-isonicotinato-κ^2^O:O')dierbium(III) monohydrate","","- C20 H18 Er2 N2 O12 -","- C20 H18 Er2 N2 O12 -","- C80 H72 Er8 N8 O48 -","4","1","BG3054","Guo-Ming Wang; Hai-Lan Huang; Hui Li; Qing-Hua Zheng","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)bis(μ~3~-hydroxido)bis(μ~2~-isonicotinato)dierbium(III) monohydrate] and the thulium analogue","Acta Crystallographica Section C","2007","63","11","m531","m533","10.1107/S0108270107047403","","","0.71073","MoKα","","0.0315","0.0294","","","0.066","0.0668","","","","","","1.187","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016231","7.2434","0.0002","24.218","0.0006","13.3606","0.0004","90","","100.7","0.003","90","","2302.97","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato-κ^4^O,O':O':O'')bis(μ~3~-\ hydroxido)bis(μ~2~-isonicotinato-κ^2^O:O')thulium(III) monohydrate","","- C20 H18 N2 O12 Tm2 -","- C20 H18 N2 O12 Tm2 -","- C80 H72 N8 O48 Tm8 -","4","1","BG3054","Guo-Ming Wang; Hai-Lan Huang; Hui Li; Qing-Hua Zheng","Poly[aqua(μ~3~-benzene-1,2-dicarboxylato)bis(μ~3~-hydroxido)bis(μ~2~-isonicotinato)dierbium(III) monohydrate] and the thulium analogue","Acta Crystallographica Section C","2007","63","11","m531","m533","10.1107/S0108270107047403","","","0.71073","MoKα","","0.0266","0.0252","","","0.0594","0.06","","","","","","1.173","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016232","15.693","0.003","7.0491","0.0014","9.752","0.002","90","","98.97","0.03","90","","1065.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[μ-aqua-dizinc(II)]-bis(μ~4~-naphthalene-1,8-dicarboxylato)]","","- C12 H8 O5 Zn -","- C12 H8 O5 Zn -","- C48 H32 O20 Zn4 -","4","1","BG3055","Wen, Yi-Hang; Feng, Xia; He, Yin-Hua; Lan, You-Zhao; Sun, Hong","Poly[μ-aqua-μ~4~-naphthalene-1,8-dicarboxylato-zinc(II)]","Acta Crystallographica Section C","2007","63","11","m504","m506","10.1107/S0108270107047130","","","0.71073","MoKα","","","0.0236","","","0.0588","0.0612","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016233","8.192","0.002","9.525","0.002","14.101","0.002","99.538","0.017","100.171","0.017","100.42","0.02","1042.7","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","Bendroflumethiazide acetone solvate","3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-\ sulfonamide 1,1-dioxide acetone solvate","","- C18 H20 F3 N3 O5 S2 -","- C18 H20 F3 N3 O5 S2 -","- C36 H40 F6 N6 O10 S4 -","2","1","BM3035","Fabbiani, Francesca P. A.; Leech, Charlotte K.; Shankland, Kenneth; Johnston, Andrea; Fernandes, Philippe; Florence, Alastair J.; Shankland, Norman","Hirshfeld surface analysis of two bendroflumethiazide solvates","Acta Crystallographica Section C","2007","63","11","o659","o663","10.1107/S0108270107044812","","","0.71073","MoKα","","0.0412","0.0328","","0.0788","0.0766","0.0788","","","","","","1.0096","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2016234","8.2527","0.0003","17.8431","0.0007","14.9012","0.0005","90","","103.752","0.004","90","","2131.36","0.14","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bendroflumethiazide N,N-dimethylformamide solvate","3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide N,N-dimethylformamide solvate","","- C18 H21 F3 N4 O5 S2 -","- C18 H21 F3 N4 O5 S2 -","- C72 H84 F12 N16 O20 S8 -","4","1","BM3035","Fabbiani, Francesca P. A.; Leech, Charlotte K.; Shankland, Kenneth; Johnston, Andrea; Fernandes, Philippe; Florence, Alastair J.; Shankland, Norman","Hirshfeld surface analysis of two bendroflumethiazide solvates","Acta Crystallographica Section C","2007","63","11","o659","o663","10.1107/S0108270107044812","","","0.71073","MoKα","","0.05","0.0396","","0.091","0.0863","0.091","","","","","","1.0127","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2016235","9.717","0.002","10.575","0.003","33.772","0.008","90","","90","","90","","3470.3","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-trichloro-N,N'-bis(4-methoxyphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 O2 -","- C16 H17 Cl3 N2 O2 -","- C128 H136 Cl24 N16 O16 -","8","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0612","0.0459","","","0.1005","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016236","6.0186","0.0006","8.0624","0.0008","33.082","0.003","90","","90","","90","","1605.3","0.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,2-trichloro-N,N'-bis(4-chlorophenyl)ethane-1,1-diamine","","- C14 H11 Cl5 N2 -","- C14 H11 Cl5 N2 -","- C56 H44 Cl20 N8 -","4","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0254","0.0243","","","0.0623","0.0632","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016237","14.04","0.003","19.903","0.004","17.721","0.004","90","","113.19","0.03","90","","4552","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","triaquahemiaquadi-μ~5~-acetato-tri-μ~4~-acetato-tri-μ~3~-acetato-tri-μ~2~- acetato-μ~2~-acetato-hexabarium(II)","","- C24 H43 Ba6 O27.5 -","- C24 H43 Ba6 O27.5 -","- C96 H172 Ba24 O110 -","4","1","BM3038","Gabriela Leyva; Griselda Polla; María Teresa Garland; Ricardo Baggio","[Ba~6~(C~2~H~3~O~2~)~12~(H~2~O)~3.5~], a new hydrate of barium acetate","Acta Crystallographica Section C","2007","63","11","m534","m536","10.1107/S0108270107048433","","","0.71073","MoKα","","0.0499","0.0402","","","0.0828","0.0867","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2016238","13.051","0.003","14.256","0.003","17.1","0.003","90","","112.19","0.03","90","","2945.9","1.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-dimethylpyrazol-1-yl-κN^2^)dithioacetato-κS](triphenylphosphine- κP)copper(I)","","- C30 H30 Cu N4 P S2 -","- C30 H30 Cu N4 P S2 -","- C120 H120 Cu4 N16 P4 S8 -","4","1","BM3041","Liu, Lei-Lei; Tang, Xiao-Yan; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","[Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dithioacetato-κ<i>S</i>](triphenylphosphine-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2007","63","11","m513","m515","10.1107/S0108270107046665","","","0.71073","MoKα","","0.0422","0.0317","","","0.0824","0.0893","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016239","19.31","0.008","8.342","0.004","13.16","0.006","90","","125.084","0.005","90","","1734.7","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Biquinoline-κ^2^N,N')bis(nitrato-κ^2^O,O')copper(II)","","- C18 H12 Cu N4 O6 -","- C18 H12 Cu N4 O6 -","- C72 H48 Cu4 N16 O24 -","4","0.5","DN3060","Yanko Moreno; Yimmy Salgado; María Teresa Garland; Ricardo Baggio","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2007","63","11","m487","m489","10.1107/S0108270107046513","","","0.71073","MoKα","","0.0977","0.0558","","","0.1349","0.1532","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016240","4.9739","0.0009","8.8459","0.0015","9.1479","0.0016","93.829","0.002","94.93","0.002","103.061","0.001","389.09","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","poly[bis(μ~5~-pyridine-2,6-dicarboxylato N-oxide)nickel(II)disilver(I)]","","- C14 H6 Ag2 N2 Ni O10 -","- C14 H6 Ag2 N2 Ni O10 -","- C14 H6 Ag2 N2 Ni O10 -","1","0.5","DN3061","Gui-Liang, Wang","A tetrahedrally coordinated Ag^I^ and Ni^II^ complex with a two-dimensional framework containing one-dimensional helical chains","Acta Crystallographica Section C","2007","63","11","m479","m480","10.1107/S0108270107044794","","","0.71073","MoKα","","0.0471","0.0451","","","0.0956","0.0968","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016241","7.896","0.004","14.899","0.004","31.516","0.008","90","","92.26","0.04","90","","3705","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methoxyethanolato)dimethyl(tetrahydrofuran-κO)aluminium(III)tetramanganese(II)","","- C18 H42 Al I5 Mn4 O9 -","- C18 H42 Al I5 Mn4 O9 -","- C72 H168 Al4 I20 Mn16 O36 -","4","1","DN3065","Lucjan B. Jerzykiewicz; Józef Utko; Piotr Sobota","A pentanuclear bimetallic complex of manganese(II) and aluminium(III) ions: tetra-μ~2~-iodido-iodidobis(μ~3~-2-methoxyethanolato)bis(μ~2~-2-methoxyethanolato)dimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)tetramanganese(II)","Acta Crystallographica Section C","2007","63","11","m501","m503","10.1107/S0108270107046896","","","0.71073","MoKα","","0.0545","0.0343","","","0.0755","0.0801","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016242","8.6278","0.0002","6.6525","0.0002","11.3284","0.0003","90","","111.658","0.001","90","","604.31","0.03","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1-chloro-2-methylpropenyl)-8-nitroquinoline","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.035","0.0287","","","0.078","0.0823","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016243","11.5578","0.0005","6.8987","0.0003","13.99","0.0006","90","","90","","90","","1115.48","0.08","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-(2-methylprop-1-enyl)-8-nitroquinoline","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","0.5","FA3106","Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain","Quinoline derivatives: potential antiparasitic and antiviral agents","Acta Crystallographica Section C","2007","63","11","o643","o645","10.1107/S0108270107046550","","","0.71073","MoKα","","0.0462","0.0395","","","0.1173","0.1288","","","","","","1.093","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016244","7.45","0.0001","7.546","0.0001","10.6766","0.0002","90","","90","","90","","600.214","0.016","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Trisamarium molybdenum heptaoxide","","- Mo O7 Sm3 -","- Mo O7 Sm3 -","- Mo4 O28 Sm12 -","4","1","FA3110","Barrier, N.; Gall, P.; Gougeon, P.","Rare-earth site splitting in Sm~3~MoO~7~","Acta Crystallographica Section C","2007","63","11","i102","i104","10.1107/S0108270107045416","","","0.71069","MoKα","","0.0264","0.0216","","","0.0401","0.0419","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016245","9.3495","0.001","12.016","0.0013","12.8534","0.0014","84.498","0.002","70.535","0.002","68.632","0.002","1267.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-neodymium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 N4 Nd2 O20 -","- C44 H54 N4 Nd2 O20 -","- C44 H54 N4 Nd2 O20 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.04","0.0337","","","0.0766","0.0805","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016246","9.1731","0.0009","12.0358","0.0012","12.7221","0.0013","85.728","0.002","71.181","0.001","69.099","0.001","1240.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-erbium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 Er2 N4 O20 -","- C44 H54 Er2 N4 O20 -","- C44 H54 Er2 N4 O20 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.0437","0.038","","","0.0907","0.0948","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016247","9.1865","0.0013","12.0293","0.0017","12.7275","0.0018","85.71","0.002","71.079","0.002","69.175","0.002","1242.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-yttrium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate]","","- C44 H54 N4 O20 Y2 -","- C44 H54 N4 O20 Y2 -","- C44 H54 N4 O20 Y2 -","1","0.5","FA3117","Ana María Atria; María Teresa Garland; Ricardo Baggio","Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y","Acta Crystallographica Section C","2007","63","11","m490","m493","10.1107/S0108270107045404","","","0.71073","MoKα","","0.0641","0.0483","","","0.1096","0.117","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016248","9.7351","0.0008","14.3655","0.0014","17.9804","0.0012","90","","97.648","0.006","90","","2492.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[<i>N</i>-(4-nitrophenyl)thiobenzamidato]mercury(II)","","- C26 H18 Hg N4 O4 S2 -","- C26 H18 Hg N4 O4 S2 -","- C104 H72 Hg4 N16 O16 S8 -","4","1","FA3119","Habibi, Mohammad Hossein; Fallah Shojaie, Abdollah; Mokhtari, Reza; Brooks, Neil R.; Clegg, William","Bis[<i>N</i>-(4-nitrophenyl)thiobenzamidato]mercury(II)","Acta Crystallographica Section C","2007","63","11","m494","m495","10.1107/S010827010704694X","","","0.71073","MoKα","","0.0337","0.0238","","","0.0499","0.054","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016249","7.2667","0.0007","17.802","0.0014","10.8166","0.001","90","","113.706","0.007","90","","1281.2","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(3-hydroxybenzoato-κO^1^)bis(nicotinamide-κN^1^)copper(II)","","- C26 H26 Cu N4 O10 -","- C26 H26 Cu N4 O10 -","- C52 H52 Cu2 N8 O20 -","2","0.5","FA3124","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Necefoglu, Hacali","<i>trans</i>-Diaquabis(3-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","2007","63","11","m510","m512","10.1107/S0108270107047142","","","0.71073","MoKα","","0.0328","0.0286","","","0.079","0.0809","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016250","10.6016","0.0002","12.2791","0.0003","19.6827","0.0005","105.222","0.001","92.632","0.001","103.886","0.001","2383.82","0.1","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^O^1^,O^1'^:O^3^- [aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]- μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^O^1^:O^3^]","","- C56 H44 N4 O14 Zn2 -","- C56 H44 N4 O14 Zn2 -","- C112 H88 N8 O28 Zn4 -","2","1","FG3050","E Yang; Xu-Chun Song; Li-Hua Wang; You-Dan Lin","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^-[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-5-[4-(hydroxymethyl)benzyloxy]isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section C","2007","63","11","m481","m483","10.1107/S0108270107046240","","","0.71073","MoKα","","0.1099","0.0798","","","0.1758","0.2002","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016251","6.8227","0.0002","13.4226","0.0004","17.5317","0.0005","90","","90","","90","","1605.52","0.08","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","","- C8 H22 Cl2 N2 Si3 -","- C8 H22 Cl2 N2 Si3 -","- C32 H88 Cl8 N8 Si12 -","4","0.5","GA3074","Böhme, Uwe; Bendrath, Franziska; Günther, Betty","2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane","Acta Crystallographica Section C","2007","63","11","o631","o632","10.1107/S0108270107045969","","","0.71073","MoKα","","0.0314","0.0253","","","0.0644","0.0683","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016252","7.4716","0.00011","8.7226","0.00012","30.2407","0.0005","90","","90","","90","","1970.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>, 17<i>R</i>,20<i>R</i>)-3-oxo-5β-24-norcholanic acid","","- C23 H36 O3 -","- C23 H36 O3 -","- C92 H144 O12 -","4","1","GA3075","Dufort, Marisa DeVita; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","3-Oxo-5β-24-norcholanic acid: acid-to-acid hydrogen-bonding catemers employing the rare <i>anti</i> carboxyl conformation in the aggregation of a steroid keto acid","Acta Crystallographica Section C","2007","63","11","o646","o649","10.1107/S0108270107047014","","","1.54178","CuKα","","0.056","0.04","","","0.095","0.101","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016253","20.59","0.002","9.5109","0.0008","10.64","0.002","90","","97.518","0.015","90","","2065.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminopyrimidine‒3,3,3-triphenylpropanoic acid (1/1)","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","GD3144","Serafin, Mateusz F.; Wheeler, Kraig A.","2-Aminopyrimidine‒3,3,3-triphenylpropanoic acid (1/1)","Acta Crystallographica Section C","2007","63","11","o620","o621","10.1107/S0108270107045799","","","1.54178","CuKα","","0.0965","0.0566","","","0.1264","0.1485","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016254","16.2739","0.0005","9.6403","0.0003","13.5513","0.0004","90","","113.069","0.002","90","","1955.99","0.11","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Pyridoxal-2-hydroxyethylimine","5-Hydroxymethyl-4-[(2-hydroxyethyl)iminomethyl]-2-methylpyridin-3-ol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","1","GD3146","Böhme, Uwe; Günther, Betty","4-[(2-Hydroxyethyl)iminomethyl]-5-hydroxymethyl-2-methylpyridin-3-ol","Acta Crystallographica Section C","2007","63","11","o641","o642","10.1107/S0108270107046574","","","0.71073","MoKα","","0.051","0.0378","","","0.1016","0.1086","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016255","10.695","0.002","22.718","0.004","13.516","0.002","90","","109.5","0.01","90","","3095.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrakis(1-naphthylamino)silane","","- C40 H32 N4 Si -","- C40 H32 N4 Si -","- C160 H128 N16 Si4 -","4","1","GD3147","Balakrishna, Maravanji S.; Chivers, Tristram; Parvez, Masood","Tetrakis(1-naphthylamino)silane and its tetrahydrofuran trisolvate","Acta Crystallographica Section C","2007","63","11","o617","o619","10.1107/S010827010704468X","","","0.71073","MoKα","","0.0702","0.045","","","0.1069","0.1216","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016256","21.048","0.007","14.672","0.007","15.16","0.009","90","","104.46","0.02","90","","4533","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1-naphthylamino)silane tetrahydrofuran trisolvate","","- C52 H56 N4 O3 Si -","- C52 H56 N4 O3 Si -","- C208 H224 N16 O12 Si4 -","4","1","GD3147","Balakrishna, Maravanji S.; Chivers, Tristram; Parvez, Masood","Tetrakis(1-naphthylamino)silane and its tetrahydrofuran trisolvate","Acta Crystallographica Section C","2007","63","11","o617","o619","10.1107/S010827010704468X","","","0.71073","MoKα","","0.2468","0.0782","","","0.1666","0.2303","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016257","11.029","0.0019","12.817","0.002","11.2083","0.0018","90","","90.173","0.013","90","","1584.4","0.4","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-chlorophenyl)-4-methylchromenium perchlorate","","- C16 H12 Cl2 O5 -","- C16 H12 Cl2 O5 -","- C64 H48 Cl8 O20 -","4","1","GZ3073","Alexander D. Roshal; Artur Sikorski; Vyacheslav N. Baumer; Alexander I. Novikov; Jerzy Błażejowski","Two polymorphs of 2-(4-chlorophenyl)-4-methylchromenium perchlorate","Acta Crystallographica Section C","2007","63","11","o626","o630","10.1107/S0108270107039558","","","0.71073","MoKα","","0.0422","0.0418","","","0.1255","0.1258","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016258","8.0631","0.0015","11.873","0.003","16.487","0.002","90","","93.292","0.014","90","","1575.7","0.5","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)-4-methylchromenium perchlorate","","- C16 H12 Cl2 O5 -","- C16 H12 Cl2 O5 -","- C64 H48 Cl8 O20 -","4","1","GZ3073","Alexander D. Roshal; Artur Sikorski; Vyacheslav N. Baumer; Alexander I. Novikov; Jerzy Błażejowski","Two polymorphs of 2-(4-chlorophenyl)-4-methylchromenium perchlorate","Acta Crystallographica Section C","2007","63","11","o626","o630","10.1107/S0108270107039558","","","0.71073","MoKα","","0.056","0.049","","","0.1209","0.1234","","","","","","0.847","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016259","7.3808","0.0009","9.4538","0.001","10.3942","0.0009","90.971","0.012","101.554","0.014","104.252","0.016","687.03","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-6-methyl-1,3,5-triazin-1-ium chloride 2,4-diamino-6-methyl-1,3,5-triazine monohydrate","","- C8 H17 Cl N10 O -","- C8 H17 Cl N10 O -","- C16 H34 Cl2 N20 O2 -","2","1","GZ3095","Gustavo Portalone; Marcello Colapietro","Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate","Acta Crystallographica Section C","2007","63","11","o655","o658","10.1107/S0108270107046689","","","0.710689","MoKα","","0.0327","0.0319","","","0.0917","0.0923","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016260","9.4045","0.001","8.6089","0.0009","13.742","0.0012","90","","107.742","0.01","90","","1059.67","0.19","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","triaminopyrimidinediium dichloride dihydrate","","- C4 H13 Cl2 N5 O2 -","- C4 H13 Cl2 N5 O2 -","- C16 H52 Cl8 N20 O8 -","4","0.5","GZ3095","Gustavo Portalone; Marcello Colapietro","Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate","Acta Crystallographica Section C","2007","63","11","o655","o658","10.1107/S0108270107046689","","","0.710689","MoKα","","0.0238","0.0229","","","0.0697","0.0702","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016261","20.646","0.003","9.3893","0.0013","13.4869","0.0019","90","","128.152","0.003","90","","2055.9","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[dichloridoiron(II)]-μ-N,N'-bis(2-pyridylmethylene)benzene-\ 1,4-diamine] methanol solvate]","","- C20 H22 Cl2 Fe N4 O2 -","- C20 H22 Cl2 Fe N4 O2 -","- C80 H88 Cl8 Fe4 N16 O8 -","4","0.5","GZ3097","Collins, Sibrina N.; Krause, Jeanette A.; Regis, Morrisa; Ball, P. J.; Connick, William B.","Self-assembly of a one-dimensional iron(II) coordination polymer with <i>p</i>-phenylenebis(picolinaldimine)","Acta Crystallographica Section C","2007","63","11","m528","m530","10.1107/S0108270107040796","","","0.775","synchrotron","","0.0569","0.0448","","","0.1189","0.126","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016262","6.284","0.0005","6.705","0.0006","12.8302","0.0009","90","","90","","90","","540.59","0.08","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","5-Formyluracil","2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde","","- C5 H4 N2 O3 -","- C5 H4 N2 O3 -","- C20 H16 N8 O12 -","4","0.5","HJ3051","Gustavo Portalone; Marcello Colapietro","An unusual <i>syn</i> conformation of 5-formyluracil stabilized by supramolecular interactions","Acta Crystallographica Section C","2007","63","11","o650","o654","10.1107/S0108270107045659","","","0.71069","MoKα","","0.0436","0.0425","","","0.11","0.1117","","","","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016263","17.2363","0.0005","8.5726","0.0002","8.8689","0.0002","90","","90","","90","","1310.47","0.06","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","catena-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^O:O']]","","- C4 H20 Mn N4 O8 P2 -","- C4 H20 Mn N4 O8 P2 -","- C16 H80 Mn4 N16 O32 P8 -","4","0.5","HJ3053","Gaslain, Fabrice O. M.; Chippindale, Ann M.","<i>catena</i>-Poly[bis(ethane-1,2-diammonium) [manganese(II)-di-μ-phosphato-κ^4^<i>O</i>:<i>O</i>']]: a one-dimensional manganese phosphate","Acta Crystallographica Section C","2007","63","11","m537","m540","10.1107/S0108270107048111","","","0.71073","MoKα","","0.0404","0.0262","","0.03","0.0261","0.0261","","","","","","1.0934","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016264","24.615","0.003","6.0114","0.0011","17.1066","0.0019","90","","106.702","0.01","90","","2424.5","0.6","293","2","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetrakis(2-pyridylmethyl)propane-1,3-diamine","","- C27 H30 N6 -","- C27 H30 N6 -","- C108 H120 N24 -","4","0.5","HJ3054","Mambanda, Allen; Jaganyi, Deogratius; Munro, Orde Q.","One-dimensional C—H···N hydrogen-bonded polymers in flexible tetrapyridyl systems","Acta Crystallographica Section C","2007","63","11","o676","o680","10.1107/S0108270107049293","","","0.71073","MoKα","","","0.041","","","","0.1114","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016265","6.1942","0.0003","9.2425","0.0003","11.6798","0.0005","101.756","0.003","96.953","0.004","106.289","0.004","616.96","0.05","100","2","","","","","","","","","","3","P -1","-P 1","2","","N,N,N',N'-tetrakis(2-pyridylmethyl)butane-1,4-diamine","","- C28 H32 N6 -","- C28 H32 N6 -","- C28 H32 N6 -","1","0.5","HJ3054","Mambanda, Allen; Jaganyi, Deogratius; Munro, Orde Q.","One-dimensional C—H···N hydrogen-bonded polymers in flexible tetrapyridyl systems","Acta Crystallographica Section C","2007","63","11","o676","o680","10.1107/S0108270107049293","","","0.71073","MoKα","","","0.0451","","","","0.1385","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016266","5.9055","0.0002","9.5369","0.0003","11.014","0.0003","90","","99.262","0.001","90","","612.22","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","calcium hexafluoroiridate (IV)","calcium hexafluoroiridate(IV) dihydrate","","- Ca F6 H4 Ir O2 -","- Ca F6 H4 Ir O2 -","- Ca4 F24 H16 Ir4 O8 -","4","1","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0226","0.0209","","","0.0553","0.0559","","","","","","1.245","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016267","6.0328","0.0002","9.8264","0.0004","11.2123","0.0005","90","","99.363","0.001","90","","655.82","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","strontium hexafluoroiridate (IV)","strontium hexafluoroiridate(IV) dihydrate","","- F6 H4 Ir O2 Sr -","- F6 H4 Ir O2 Sr -","- F24 H16 Ir4 O8 Sr4 -","4","1","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0212","0.0188","","","0.0524","0.0532","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016268","7.3965","0.0005","7.3965","0.0005","7.2826","0.0007","90","","90","","120","","345.04","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","barium hexafluoroiridate (IV)","barium hexafluoroiridate(IV)","","- Ba F6 Ir -","- Ba F6 Ir -","- Ba3 F18 Ir3 -","3","0.166667","IZ3025","Smolentsev, Anton I.; Gubanov, Alexander I.; Danilenko, Andrey M.","Three hexafluoridoiridates(IV), Ca[IrF~6~]·2H~2~O, Sr[IrF~6~]·2H~2~O and Ba[IrF~6~]","Acta Crystallographica Section C","2007","63","11","i99","i101","10.1107/S0108270107044046","","","0.71073","MoKα","","0.0236","0.0236","","","0.0659","0.0659","","","","","","1.219","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016269","17.5731","0.0014","9.651","0.0008","22.7965","0.0019","90","","90","","90","","3866.2","0.5","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[4-(4-acetanilido-trans-1,3-butadienyl)-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene]propanedinitrile","2-{4-[4-(N-Formylanilino)-trans-1,3-butadienyl]-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene}propanedinitrile","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C176 H144 N32 O16 -","8","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.1147","0.0471","","","0.0882","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016270","12.704","0.0015","15.154","0.002","11.7651","0.0014","90","","107.44","0.007","90","","2160.9","0.5","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-[4-(6-acetanilido-trans,trans-1,3,5-hexatrienyl)-3-cyano-5,5-dimethyl-\ 2,5-dihydrofuranylidene]propanedinitrile","2,5-dihydrofuranylidene}propanedinitrile","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.2852","0.0667","","","0.1092","0.1694","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016271","8.278","0.0017","10.694","0.002","15.155","0.003","90","","99.86","0.03","90","","1321.8","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane","(Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon","","- C14 H19 N O2 Si -","- C14 H19 N O2 Si -","- C56 H76 N4 O8 Si4 -","4","1","JZ3090","Böhme, Uwe; Foehn, Ines C.","Two modifications of a five-coordinate silicon complex","Acta Crystallographica Section C","2007","63","11","o613","o616","10.1107/S0108270107045465","","","0.71073","MoKα","","0.0408","0.0354","","","0.0986","0.1021","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016272","9.5798","0.0004","9.9284","0.0005","13.7788","0.0006","90","","90","","90","","1310.53","0.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane","(Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon","","- C14 H19 N O2 Si -","- C14 H19 N O2 Si -","- C56 H76 N4 O8 Si4 -","4","1","JZ3090","Böhme, Uwe; Foehn, Ines C.","Two modifications of a five-coordinate silicon complex","Acta Crystallographica Section C","2007","63","11","o613","o616","10.1107/S0108270107045465","","","0.71073","MoKα","","0.0382","0.0336","","","0.084","0.0867","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016273","7.2946","0.001","8.2775","0.0013","22.4","0.003","95.949","0.006","99.41","0.008","90.099","0.006","1326.9","0.3","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-4,6-dimethoxy-3-(3-methylbutanoyl)benzaldehyde","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","2","JZ3095","Bats, Jan W.; Gerlach, Matthias; Reggelin, Michael; Köck, Matthias","2-Hydroxy-4,6-dimethoxy-3-(3-methylbutanoyl)benzaldehyde","Acta Crystallographica Section C","2007","63","11","o664","o666","10.1107/S0108270107048044","","","0.71073","MoKα","","0.1193","0.0507","","","0.1067","0.1314","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016274","9.816","0.002","10.026","0.003","11.09","0.002","87.53","0.03","75.49","0.02","76.41","0.03","1026.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Poly[tetrakis(2,2'-bipyridyl)di-μ~2~-oxido-hexaoxido-di-μ~3~-selenito- tetravanadium]","catena-Poly[[(2,2'-bipyridyl)oxidovanadium]-di-μ~2~-oxido-[(2,2'- bipyridyl)oxidovanadium]-μ~3~-selenito-bis[(2,2'-bipyridyl)dioxidovanadium]- μ~3~-selenito]","","- C20 H16 N4 O7 Se V2 -","- C20 H16 N4 O7 Se V2 -","- C40 H32 N8 O14 Se2 V4 -","2","1","LN3059","Zhao-Xun Lian; Ping Liu; Jia-Min Zhang; Tian-Xi Wang; Tian-Jun Lou","<i>catena</i>-Poly[[(2,2'-bipyridyl)oxidovanadium]-di-μ~2~-oxido-[(2,2'-bipyridyl)oxidovanadium]-μ~3~-selenito-bis[(2,2'-bipyridyl)dioxidovanadium]-μ~3~-selenito]","Acta Crystallographica Section C","2007","63","11","m525","m527","10.1107/S0108270107047683","","","0.71069","MoKα","","0.0274","0.0264","","","0.0853","0.0865","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016275","15.5815","0.0004","7.4458","0.0004","16.8575","0.0008","90","","116.408","0.004","90","","1751.67","0.15","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6-amino-5-formyl-1,3-dimethyluracil monohydrate","6-amino-5-formyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione monohydrate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C56 H88 N24 O32 -","8","1","LN3062","de la Torre, José M.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher","Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120K: a polarized molecular structure and two interwoven hydrogen-bonded frameworks","Acta Crystallographica Section C","2007","63","11","o638","o640","10.1107/S0108270107044563","","","0.71073","MoKα","","0.0779","0.0483","","","0.1183","0.1415","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016276","9.251","0.003","14.972","0.005","27.35","0.01","90","","98.791","0.006","90","","3744","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,9'-Biacridine N,N'-dioxide","","- C26 H16 N2 O2 -","- C26 H16 N2 O2 -","- C208 H128 N16 O16 -","8","1","LN3064","Chun-Sen Liu","9,9'-Biacridine <i>N</i>,<i>N</i>'-dioxide: a novel potential bridging ligand bearing the bulky acridine <i>N</i>-oxide skeleton","Acta Crystallographica Section C","2007","63","11","o673","o675","10.1107/S0108270107048019","","","0.71073","MoKα","","0.1624","0.061","","","0.1309","0.1831","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016277","7.6237","0.0001","11.9574","0.0002","9.5112","0.0003","90","","116.767","0.002","90","","774.13","0.03","183","","183","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Bis(azido-κN)bis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)nickel(II)","","- C12 H12 N10 Ni O2 -","- C12 H12 N10 Ni O2 -","- C24 H24 N20 Ni2 O4 -","2","0.5","LN3065","Đaković, Marijana; Popović, Zora","<i>trans</i>-Bis(azido-κ<i>N</i>)bis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II)","Acta Crystallographica Section C","2007","63","11","m507","m509","10.1107/S0108270107047312","","","0.71073","MoKα","","0.0314","0.0272","","","0.0686","0.0727","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016278","11.09","0.002","13.293","0.002","18.989","0.003","90","","90.488","0.003","90","","2799.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[disilver(I)(Ag—Ag)]-bis[μ-1,1'-(butane-1,4-diyl)diimidazole- κ^2^<i>N</i>:<i>N</i>'] bis(perchlorate)]","","- C10 H14 Ag Cl N4 O4 -","- C10 H14 Ag Cl N4 O4 -","- C80 H112 Ag8 Cl8 N32 O32 -","8","1","LN3066","Yong-Fang Li; Zi-Hong Pan; Tian-Jun Lou","<i>catena</i>-Poly[[disilver(I)(<i>Ag{—</i>Ag})-bis[μ-1,1'-(butane-1,4-diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] bis(perchlorate)]: a double helix stabilized by ligand-unsupported argentophilic interactions","Acta Crystallographica Section C","2007","63","11","m516","m518","10.1107/S0108270107048251","","","0.71073","MoKα","","0.0771","0.0486","","","0.1202","0.141","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016279","6.6739","0.0011","7.5697","0.0016","10.899","0.002","85.036","0.018","75.039","0.015","66.596","0.011","488.1","0.17","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","(4Z)-4-Amino-2-(4-hydroxyphenyl)-1H-imidazol-5(2H)-one oxime 3-oxide","","- C9 H10 N4 O3 -","- C9 H10 N4 O3 -","- C18 H20 N8 O6 -","2","1","SF3047","Xue-Qin Cao; Zhan-Xiong Li; Guo-Qiang Chen; De-Chun Zhang","(5<i>Z</i>)-4-Amino-2-(4-hydroxyphenyl)-1<i>H</i>-imidazol-5(2<i>H</i>)-one oxime 3-oxide","Acta Crystallographica Section C","2007","63","11","o671","o672","10.1107/S0108270107040978","","","0.7107","MoKα","","0.0583","0.0456","","","0.0996","0.1076","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016280","6.8792","0.0004","7.6203","0.0005","8.0401","0.0005","102.281","0.002","104.125","0.001","101.422","0.001","385.23","0.04","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Poly[bis[aquaneodymium(III)]-μ~2~-oxalato-di-μ~4~-succinato]","","- C5 H6 Nd O7 -","- C5 H6 Nd O7 -","- C10 H12 Nd2 O14 -","2","1","SK3164","Chun-Xiang Wang; Zhi-Feng Li; Ping Wang","Poly[bis[aquaneodymium(III)]-μ~2~-oxalato-di-μ~4~-succinato]","Acta Crystallographica Section C","2007","63","11","m473","m475","10.1107/S0108270107045143","","","0.71073","MoKα","","0.0459","0.0448","","","0.1124","0.1129","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016281","8.6844","0.0006","10.7807","0.0019","10.8903","0.001","69.998","0.014","88.918","0.007","76.822","0.013","930.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-bis[N-methyl-N-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde","","- C21 H23 N5 O -","- C21 H23 N5 O -","- C42 H46 N10 O2 -","2","1","SK3170","Low, John N.; Trilleras, Jorge; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-4,6-bis[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde and hydrogen-bonded sheets in 2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","Acta Crystallographica Section C","2007","63","11","o681","o684","10.1107/S0108270107048809","","","0.71073","MoKα","","0.0956","0.0604","","","0.1338","0.1526","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016282","8.2846","0.0004","11.271","0.0004","15.0024","0.0007","108.983","0.004","95.403","0.004","101.908","0.003","1276.33","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","2","SK3170","Low, John N.; Trilleras, Jorge; Cobo, Justo; Marchal, Antonio; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-4,6-bis[<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)amino]pyrimidine-5-carbaldehyde and hydrogen-bonded sheets in 2-amino-4-(indolin-1-yl)-6-methoxypyrimidine-5-carbaldehyde","Acta Crystallographica Section C","2007","63","11","o681","o684","10.1107/S0108270107048809","","","0.71073","MoKα","","0.1012","0.0553","","","0.1318","0.1641","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016283","7.765","0.004","9.712","0.005","11.036","0.006","82.445","0.017","74.035","0.017","69.718","0.016","750","0.7","295","","295","","","","","","","","","5","P -1","-P 1","2","","Bis(μ~4~-butane-1,4-dithiolato)bis[hexacarbonyldiiron(II)(Fe—Fe)]","","- C20 H16 Fe4 O12 S4 -","- C20 H16 Fe4 O12 S4 -","- C20 H16 Fe4 O12 S4 -","1","0.5","SQ3090","Zhang, Yue; Si, You-Tao; Hu, Ming-Qiang; Chen, Chang-Neng; Liu, Qiu-Tian","Bis(μ~4~-butane-1,4-dithiolato)bis[hexacarbonyldiiron(II)(<i>Fe</i>—<i>Fe</i>)]","Acta Crystallographica Section C","2007","63","11","m499","m500","10.1107/S0108270107041674","","","0.71073","MoKα","","0.054","0.0371","","","0.0935","0.1061","","","","","","0.997","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2016284","9.3326","0.0009","10.098","0.0009","10.3272","0.0009","75.343","0.007","72.571","0.006","81.242","0.007","895.25","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","bis[2,3-bis(aminocarbonyl)-8,9-bis(methylsulfanyl)tetrathiafulvalenium] di-μ-bromido-bis[bromidocopper(II)]","","- C20 H20 Br4 Cu2 N4 O4 S12 -","- C20 H20 Br4 Cu2 N4 O4 S12 -","- C20 H20 Br4 Cu2 N4 O4 S12 -","1","0.5","SQ3096","Lu, Wen; Zhu, Qin-Yu; Zhang, Yong; Lin, Xiao-Min; Dai, Jie","A new tetrathiafulvalene‒diamide cation salt with [Cu~2~Br~4~]^2{-^} anions","Acta Crystallographica Section C","2007","63","11","m496","m498","10.1107/S0108270107042035","","","0.71073","MoKα","","0.0343","0.0275","","","0.0659","0.0698","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016285","9.3091","0.0003","9.3091","0.0003","10.9744","0.0004","90","","90","","90","","951.03","0.06","293","2","","","","","","","","","","5","P 41","P 4w","76","","Potassium indium niobium oxide phosphate","","- In0.459 K0.917 Nb0.541 O5 P -","- In0.45835 K0.9165 Nb0.54165 O5 P -","- In3.6668 K7.332 Nb4.3332 O40 P8 -","8","2","SQ3098","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Domasevitch, Konstantin V.","The complex phosphate K~0.92~In~0.46~Nb~0.54~OPO~4~: a new representative of the KTiOPO~4~ family","Acta Crystallographica Section C","2007","63","11","i105","i108","10.1107/S0108270107047129","","","0.71073","MoKα","","","0.0199","","","","0.0528","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016286","5.6636","0.0003","18.9255","0.0009","10.05","0.0005","90","","94.136","0.001","90","","1074.42","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-1-(4-Bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone","","- C12 H12 Br N O -","- C12 H12 Br N O -","- C48 H48 Br4 N4 O4 -","4","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0285","0.0239","","","0.0658","0.0682","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016287","6.9303","0.0002","7.628","0.0002","12.106","0.0003","99.844","0.002","99.545","0.001","102.189","0.002","602.64","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-1-(4-Bromophenyl)-2-(piperidin-2-ylidene)ethanone","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C26 H28 Br2 N2 O2 -","2","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0369","0.0266","","","0.073","0.1068","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016288","12.2867","0.0003","8.2416","0.0002","12.9404","0.0004","90","","100.702","0.002","90","","1287.58","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z)-2-(Azepan-2-ylidene)-1-(4-bromophenyl)ethanone","","- C14 H16 Br N O -","- C14 H16 Br N O -","- C56 H64 Br4 N4 O4 -","4","1","AV3112","Balderson, James L.; Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.","Hydrogen-bonding patterns in enaminones: (2<i>Z</i>)-1-(4-bromophenyl)-2-(pyrrolidin-2-ylidene)ethanone and its piperidin-2-ylidene and azepan-2-ylidene analogues","Acta Crystallographica Section C","2007","63","12","o734","o738","10.1107/S0108270107053206","","","0.71073","MoKα","","0.0369","0.0254","","","0.0624","0.0648","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016289","7.1918","0.0014","8.94","0.0018","15.792","0.003","103.81","0.03","94.01","0.03","106.51","0.03","934.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)piperazinium dihydrogen phosphate monohydrate","","- C16 H23 F N3 O8 P -","- C16 H23 F N3 O8 P -","- C32 H46 F2 N6 O16 P2 -","2","1","AV3114","Lou, Benyong; Boström, Dan; Velaga, Sitaram P","Monohydrous dihydrogen phosphate salts of norfloxacin and ciprofloxacin","Acta Crystallographica Section C","2007","63","12","o731","o733","10.1107/S0108270107053218","","","0.71073","MoKα","","0.0662","0.0482","","","0.1261","0.1458","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016290","7.2582","0.0015","8.9979","0.0018","15.712","0.003","100.93","0.03","96","0.03","105.74","0.03","956.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)piperazinium dihydrogen phosphate monohydrate","","- C17 H23 F N3 O8 P -","- C17 H23 F N3 O8 P -","- C34 H46 F2 N6 O16 P2 -","2","1","AV3114","Lou, Benyong; Boström, Dan; Velaga, Sitaram P","Monohydrous dihydrogen phosphate salts of norfloxacin and ciprofloxacin","Acta Crystallographica Section C","2007","63","12","o731","o733","10.1107/S0108270107053218","","","0.71073","MoKα","","0.0951","0.0749","","","0.2285","0.2417","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016291","7.2869","0.0017","5.9407","0.0014","36.805","0.008","90","","93.724","0.004","90","","1589.9","0.6","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-one","","- C21 H15 F O2 -","- C21 H15 F O2 -","- C84 H60 F4 O8 -","4","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.055","0.0464","","","0.1217","0.1346","","","","","","1.212","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016292","8.164","0.005","10.036","0.006","11.136","0.007","97.362","0.01","101.898","0.009","108.731","0.009","826.7","0.9","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C21 H14 F2 O2 -","- C21 H14 F2 O2 -","- C42 H28 F4 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0696","0.0424","","","0.1047","0.1176","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016293","9.045","0.006","9.833","0.006","11.474","0.007","99.109","0.007","104.8","0.008","113.697","0.009","863.3","0.9","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(4-chlorophenyl)-3-(2-fluoro-4-phenoxyphenyl)prop-2-en-1-one","","- C21 H14 Cl F O2 -","- C21 H14 Cl F O2 -","- C42 H28 Cl2 F2 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0662","0.0453","","","0.1105","0.1341","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016294","9.196","0.005","9.726","0.005","11.554","0.007","98.887","0.009","104.304","0.009","113.754","0.008","878.1","0.9","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C44 H34 F2 O4 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0614","0.0447","","","0.112","0.1242","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016295","9.645","0.004","10.111","0.005","10.537","0.006","66.706","0.007","65.347","0.008","80.949","0.009","857.8","0.7","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C22 H17 F O3 -","- C22 H17 F O3 -","- C44 H34 F2 O6 -","2","1","AV3115","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.; Guru Row, T. N.","A series of substituted (2<i>E</i>)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones","Acta Crystallographica Section C","2007","63","12","o704","o710","10.1107/S0108270107049426","","","0.71073","MoKα","","0.0933","0.0519","","","0.0967","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016296","7.0758","0.0012","7.2954","0.0012","10.8601","0.0018","97.317","0.002","91.591","0.003","100.621","0.003","545.76","0.16","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^O^1^:O^2^:O^2'^]","","- C8 H9 N O9 Zn -","- C8 H9 N O9 Zn -","- C16 H18 N2 O18 Zn2 -","2","1","AV3117","Guo, Ming-Lin; Guo, Chen-Hu","Poly[[triaquazinc(II)]-μ~3~-4-nitrophthalato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2'^]","Acta Crystallographica Section C","2007","63","12","m595","m597","10.1107/S0108270107054509","","","0.71073","MoKα","","0.0265","0.0232","","","0.0588","0.0605","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016297","10.6715","0.0005","5.9502","0.0003","22.987","0.0011","90","","100.953","0.005","90","","1433.03","0.12","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[(E)-2-(4-fluorophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 F N -","- C20 H14 F N -","- C80 H56 F4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0908","0.0379","","","0.0566","0.0603","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016298","14.319","0.0011","5.6943","0.0005","18.6247","0.0018","90","","102.73","0.007","90","","1481.3","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(E)-2-(4-chlorophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 Cl N -","- C20 H14 Cl N -","- C80 H56 Cl4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0614","0.035","","","0.077","0.0803","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016299","14.5152","0.0005","5.6485","0.0002","18.826","0.0006","90","","103.605","0.003","90","","1500.22","0.09","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(E)-2-(4-bromophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 Br N -","- C20 H14 Br N -","- C80 H56 Br4 N4 -","4","1","AV3120","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Three 9-[(<i>E</i>)-2-(4-halogenophenyl)vinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o754","o757","10.1107/S0108270107054571","","","0.71073","MoKα","","0.0425","0.0287","","","0.0645","0.0663","","","","","","1.076","","","","has coordinates,has Fobs","192309","2020-10-21","18:00:00",""
"2016300","23.411","0.004","10.409","0.002","13.722","0.003","90","","90","","90","","3343.8","1.1","295","3","295","3","","","","","","","","5","P b c n","-P 2n 2ab","60","","diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-\ κ^2^<i>N</i>,<i>N</i>')strontium(II)","","- C38 H30 N4 O8 Sr -","- C38 H30 N4 O8 Sr -","- C152 H120 N16 O32 Sr4 -","4","0.5","BG3058","Duan-Jun Xu; Bing-Yu Zhang; Jian-Rong Su; Jing-Jing Nie","Intramolecular π‒π stacking in diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II)","Acta Crystallographica Section C","2007","63","12","m622","m624","10.1107/S0108270107050597","","","0.71069","MoKα","","0.078","0.054","","","0.104","0.113","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016301","14.43","0.002","9.4424","0.0008","14.725","0.002","90","","118.864","0.011","90","","1757.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromidotetrakis(1H-pyrazole-κN^3^)manganese(II)","","- C12 H16 Br2 Mn N8 -","- C12 H16 Br2 Mn N8 -","- C48 H64 Br8 Mn4 N32 -","4","0.5","BG3059","Ruth, Kai; Kunz, Kerstin; Lerner, Hans-Wolfram; Bolte, Michael","Setting ambiguity in <i>C</i>2/<i>c</i> with dibromidotetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II) as an example","Acta Crystallographica Section C","2007","63","12","m566","m569","10.1107/S0108270107052419","","","0.71073","MoKα","","0.0933","0.0658","","","0.1562","0.1686","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016302","10.885","0.007","7.247","0.004","14.885","0.007","90","","100.913","0.008","90","","1152.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(4-methoxybenzenethiolato-κS)oxido[2,2'-(3- phenylpropylimino)bis(ethanethiolato)-κ^3^S,N,S']technetium(V)","","- C21 H28 N O2 S3 Tc -","- C21 H28 N O2 S3 Tc -","- C42 H56 N2 O4 S6 Tc2 -","2","1","BG3060","Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch","Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)","Acta Crystallographica Section C","2007","63","12","m579","m582","10.1107/S0108270107052870","","","0.71073","MoKα","","0.089","0.0648","","","0.1343","0.1435","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016303","10.61","0.007","10.356","0.007","16.296","0.011","90","","90.574","0.015","90","","1790","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4-methoxybenzenethiolato-κS)oxido[2,2'-(propylimino)bis(ethanethiolato)- κ^3^S,N,S']technetium(V)","","- C14 H22 N O2 S3 Tc -","- C14 H22 N O2 S3 Tc -","- C56 H88 N4 O8 S12 Tc4 -","4","1","BG3060","Franziska Emmerling; Werner Kraus; Bernhard Noll; Steffi Noll; Hans-Jürgen Pietzsch","Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)oxidotechnate(V)","Acta Crystallographica Section C","2007","63","12","m579","m582","10.1107/S0108270107052870","","","0.71073","MoKα","","0.1592","0.0617","","","0.0906","0.0954","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016304","20.8868","0.0006","6.00175","0.00018","17.3531","0.0005","90","","90","","90","","2175.34","0.11","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","BM3037","Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz","Hydrogen-bonded networks in 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol","Acta Crystallographica Section C","2007","63","12","o720","o722","10.1107/S0108270107046975","","","0.71073","MoKα","","0.0315","0.0273","","","0.072","0.0733","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016305","8.245","0.002","10.962","0.003","11.008","0.003","98.391","0.007","100.819","0.008","107.349","0.007","910.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-methoxyethyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C42 H40 N4 O8 -","2","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.0706","0.0427","","","0.0982","0.1109","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016306","8.248","0.003","11.184","0.004","11.394","0.004","63.646","0.007","73.836","0.008","79.069","0.007","901.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","isopropyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.07","0.0525","","","0.1352","0.148","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016307","7.8638","0.0007","19.4628","0.0018","11.0823","0.001","90","","99.963","0.002","90","","1670.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","BM3039","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Lucas F. Hastings","Three sterically hindered 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate derivatives","Acta Crystallographica Section C","2007","63","12","o685","o689","10.1107/S0108270107049001","","","0.71073","MoKα","","0.0939","0.0466","","","0.0933","0.1108","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016308","7.3482","0.0011","35.825","0.004","7.8986","0.0012","90","","106.906","0.012","90","","1989.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[(dipyrido[3,2-a:2',3'-c]phenazine-κ^2^N,N')nickel(II)]-μ-\ 2,6-dipicolinato-κ^3^O^2^,O^6^:O^2'^]","","- C25 H13 N5 Ni O4 -","- C25 H13 N5 Ni O4 -","- C100 H52 N20 Ni4 O16 -","4","1","DN3067","Ma, Yi; Zhang, Li-Tian; Wang, Xiao-Fang; He, Yong-Ke; Han, Zheng-Bo","A one-dimensional nickel(II) coordination polymer containing 2,6-dipicolinate and dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine","Acta Crystallographica Section C","2007","63","12","m573","m575","10.1107/S0108270107053851","","","0.71073","MoKα","","0.0535","0.0401","","","0.1009","0.1111","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016309","8.0149","0.0007","9.2527","0.0008","9.5534","0.0008","103.031","0.001","106.938","0.001","106.303","0.001","612.98","0.09","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[[(2,2-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di- μ-chlorido-cadmium(II)-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C11 H8 Cd Cl N3 S -","- C11 H8 Cd Cl N3 S -","- C22 H16 Cd2 Cl2 N6 S2 -","2","1","DN3068","Chen, Min; Chen, Xu-Dong; Du, Miao","An unusual chain cadmium(II) coordination polymer: <i>catena</i>-poly[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-chlorido-[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section C","2007","63","12","m570","m572","10.1107/S0108270107052638","","","0.71073","MoKα","","0.0194","0.0178","","","0.0445","0.0451","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016310","12.9325","0.0017","6.7317","0.0009","17.018","0.002","90","","90","","90","","1481.5","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[diaquamanganese(II)]-μ~3~-2-oxo-4-oxido-1,2-dihydropyrimidine- 5-carboxylato-κ^4^O^4^,O^5^:O^2^:O^2^]","","- C5 H6 Mn N2 O6 -","- C5 H6 Mn N2 O6 -","- C40 H48 Mn8 N16 O48 -","8","1","DN3069","Chen, Zilu; Xing, Huihui; Liang, Fupei","Poly[[diaquamanganese(II)]-μ~3~-4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^4^<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^2^:<i>O</i>^2^]","Acta Crystallographica Section C","2007","63","12","m576","m578","10.1107/S0108270107053875","","","0.71073","MoKα","","0.0301","0.0239","","","0.059","0.0625","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016311","8.6811","0.0004","9.5627","0.0004","12.1914","0.0006","90","","90","","90","","1012.07","0.08","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Trirubidium diyttrium triborate","","- B3 O9 Rb3 Y2 -","- B3 O9 Rb3 Y2 -","- B12 O36 Rb12 Y8 -","4","1","FA3116","Gao, J. H.; Li, R. K.","Rb~3~Y~2~(BO~3~)~3~ with a noncentrosymmetric structure","Acta Crystallographica Section C","2007","63","12","i112","i114","10.1107/S0108270107054078","","","0.7107","MoKα","","0.0547","0.048","","","0.0764","0.0791","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016312","6.987","0.002","8.645","0.002","10.567","0.003","105.48","0.02","97.08","0.02","110.28","0.03","560.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-\ olato)cadmium(II) dihydrate","","- C16 H14 Cd N8 O10 -","- C16 H14 Cd N8 O10 -","- C16 H14 Cd N8 O10 -","1","0.5","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","0.71073","MoKα","","0.0339","0.0299","","","0.0696","0.0713","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016313","6.9511","0.001","8.4052","0.0012","11.3293","0.0016","84.61","0.02","72.523","0.01","88.34","0.01","628.57","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-\ olato)cadmium(II) 1,4-dioxane solvate","","- C20 H18 Cd N8 O10 -","- C20 H18 Cd N8 O10 -","- C20 H18 Cd N8 O10 -","1","0.5","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","0.71073","MoKα","","0.0813","0.0525","","","0.1017","0.1141","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016314","18.3348","0.0012","19.964","0.0015","13.5231","0.0011","90","","119.77","0.02","90","","4296.7","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly[[decaaqua-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H- pyrrol-2-olato-κ^2^N:N')bis(μ~2~-3-cyano-4-dicyanomethylene-3H-pyrrole- 2,5-diolate-κ^2^N:N')dicadmium] 0.5-hydrate]","","- C32 H23 Cd3 N16 O18.5 -","- C64 H44 Cd6 N32 O37 -","- C128 H88 Cd12 N64 O74 -","2","0.25","GA3063","Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.","Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium","Acta Crystallographica Section C","2007","63","12","m541","m547","10.1107/S0108270107045453","","","1.54184","CuKα","","0.0524","0.0432","","","0.1129","0.1184","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016315","13.125","0.003","11.332","0.002","10.185","0.002","90","","117.91","0.03","90","","1338.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","bis(μ-tetramethyldistibine)bis(tetracarbonylchromium)","1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-cyclo-2,3,5,6- tetraantimony-1,4-dichromium","","- C16 H24 Cr2 O8 Sb4 -","- C16 H24 Cr2 O8 Sb4 -","- C32 H48 Cr4 O16 Sb8 -","2","0.25","GA3072","Breunig, Hans Joachim; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I.","1,1,1,1,4,4,4,4-Octacarbonyl-2,2,3,3,5,5,6,6-octamethyl-<i>cyclo</i>-2,3,5,6-tetraantimony-1,4-dichromium","Acta Crystallographica Section C","2007","63","12","m548","m549","10.1107/S0108270107049943","","","0.71073","MoKα","","0.0313","0.0237","","","0.0534","0.0559","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016316","9.1632","0.0009","9.2131","0.0009","11.5904","0.0011","94.709","0.002","92.486","0.002","102.912","0.002","948.6","0.16","291","2","296","2","","","","","","","","3","P -1","-P 1","2","(1R*,2S*,3S*,8S*)-2,3-di(acetyloxy)-8-[(acetyloxy)methyl]cyclooctyl acetate","(1S*,2R*,3S*,4S*)-2,3,4-triacetoxycyclooctan-1-ylmethyl acetate","","- C17 H26 O8 -","- C17 H26 O8 -","- C34 H52 O16 -","2","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.0569","0.048","","","0.13","0.1358","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016317","19.206","0.012","26.611","0.017","7.748","0.005","90","","90","","90","","3960","4","291","2","291","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","(3aS*,4S*,5S*,9R*,9aS*)-4-(acetyloxy)-9-[(acetyloxy)methyl]-2,2-dimethyl perhydrocycloocta[d][1,3]dioxol-5-yl acetate","(3aS*,4R*,8S*,9S*,9aS*)-8,9-diacetoxy-2,2-dimethylcyclooctano[d][1,3]dioxan- 4-ylmethyl acetate","","- C18 H28 O8 -","- C18 H28 O8 -","- C144 H224 O64 -","8","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.0604","0.0424","","","0.1036","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016318","7.7179","0.0016","11.486","0.002","11.72","0.002","76.515","0.004","74.547","0.004","85.394","0.004","973.6","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","(3aS,4R,6S,9R,9aS)-4-(acetyloxy)-9-[(acetyloxy)methyl]-2,2-dimethylperhydro cycloocta[d][1,3]dioxol-6-yl acetate","(3aS,4R,7S,9R,9aS)- 7,9-diacetoxy-2,2-dimethylcyclooctano[d][1,3]dioxan-4-ylmethyl acetate","","- C18 H28 O8 -","- C18 H28 O8 -","- C36 H56 O16 -","2","1","GA3073","Goverdhan Mehta; Saikat Sen; Kotapalli Pallavi","Packing in three cyclooctitol acetates","Acta Crystallographica Section C","2007","63","12","o726","o728","10.1107/S0108270107048664","","","0.71073","MoKa","","0.1205","0.0552","","","0.1107","0.1322","","","","","","0.887","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016319","5.9774","0.0014","10.484","0.003","16.896","0.004","90","","90.762","0.004","90","","1058.7","0.5","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S)-5-(3-fluoro-4-phenoxyphenyl)-1,3-biphenyl-4,5-dihydro-1H-pyrazole","","- C27 H21 F N2 O -","- C27 H21 F N2 O -","- C54 H42 F2 N4 O2 -","2","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKa","","0.0468","0.0382","","","0.0842","0.0874","","","","","","1.263","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016320","17.728","0.003","11.0132","0.0017","11.2709","0.0017","90","","95.729","0.003","90","","2189.6","0.6","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5S)-3-(4-chlorophenyl)-5-(3-fluoro-4-phenoxyphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C27 H20 Cl F N2 O -","- C27 H20 Cl F N2 O -","- C108 H80 Cl4 F4 N8 O4 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKa","","0.1486","0.0708","","","0.112","0.1347","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016321","17.742","0.006","11.099","0.004","11.187","0.004","90","","95.293","0.006","90","","2193.5","1.3","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5R)-5-(3-fluoro-4-phenoxyphenyl)-3-(4-methylphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C28 H23 F N2 O -","- C28 H23 F N2 O -","- C112 H92 F4 N8 O4 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKα","","0.0895","0.0502","","","0.1013","0.1155","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016322","20.274","0.004","5.7588","0.0012","21.241","0.004","90","","116.438","0.004","90","","2220.6","0.8","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5S)-5-(3-fluoro-4-phenoxyphenyl)-3-(4-methoxyphenyl)-1-phenyl- 4,5-dihydro-1H-pyrazole","","- C28 H23 F N2 O2 -","- C28 H23 F N2 O2 -","- C112 H92 F4 N8 O8 -","4","1","GA3076","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B; Guru Row, T. N.","Four substituted pyrazolines","Acta Crystallographica Section C","2007","63","12","o746","o750","10.1107/S0108270107052705","","","0.71073","MoKα","","0.098","0.076","","","0.1123","0.1348","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016323","10.5303","0.0019","8.0531","0.0013","16.977","0.003","90","","95.435","0.007","90","","1433.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dichloridobis(2-methoxypyridine-κN)copper(II)","","- C12 H14 Cl2 Cu N2 O2 -","- C12 H14 Cl2 Cu N2 O2 -","- C48 H56 Cl8 Cu4 N8 O8 -","4","1","GD3150","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","In search of conformationally chiral square-planar complexes: dichloridobis(2-methoxypyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section C","2007","63","12","m550","m552","10.1107/S0108270107048706","","","0.71073","MoKα","","0.026","0.0228","","","0.0592","0.06","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016324","15.0911","0.0014","8.889","0.0008","16.0727","0.0015","90","","116.536","0.002","90","","1928.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-(N-hydroxypyridine-2-carboxamidine)-μ~2~-nitrato-silver(I)]","","- C6 H7 Ag N4 O4 -","- C6 H7 Ag N4 O4 -","- C48 H56 Ag8 N32 O32 -","8","1","GD3152","Ai-Li Cui; Han, Peng; Yang, Hui-Juan; Wang, Ru-Ji; Kou, Hui-Zhong","Poly[μ~2~-(<i>N</i>-hydroxypyridine-2-carboxamidine)-μ~2~-nitrato-silver(I)]","Acta Crystallographica Section C","2007","63","12","m560","m562","10.1107/S0108270107051293","","","0.71073","MoKα","","0.0386","0.0319","","","0.0625","0.0646","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2016325","14.886","0.003","23.19","0.004","7.0638","0.0014","90","","90","","90","","2438.5","0.8","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(E)-N'-[5-Chloro-3-methoxy-2-(4- methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate","","- C23 H22 Cl N3 O7 S -","- C23 H22 Cl N3 O7 S -","- C92 H88 Cl4 N12 O28 S4 -","4","1","GD3153","Diao, Chun-Hua; Fan, Zhi; Chen, Xin","(<i>E</i>)-<i>N</i>'-[5-Chloro-3-methoxy-2-(4-methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate: hydrogen-bonded network of alternating <i>R</i>^4^~4~(42), <i>R</i>^5^~5~(33) and <i>R</i>^6^~6~(40) rings","Acta Crystallographica Section C","2007","63","12","o717","o719","10.1107/S010827010705281X","","","0.71073","MoKα","","0.1085","0.0476","","","0.0774","0.0924","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016326","9.6438","0.001","9.6656","0.0011","10.3316","0.0011","85.068","0.009","63.887","0.01","77.155","0.009","843.02","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","trans-(±)-Diethyl N,N'-(1,2-cyclohexane-1,2-diyl)bis(2-thiooxamate)","","- C14 H22 N2 O4 S2 -","- C14 H22 N2 O4 S2 -","- C28 H44 N4 O8 S4 -","2","1","GD3156","Piotrkowska, Barbara; Połoński, Tadeusz; Gdaniec, Maria","Supramolecular structures of bis-thionooxalamic acid esters derived from (±)-cyclohexane-1,2-diamine and (±)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","2007","63","12","o693","o696","10.1107/S0108270107049797","","","0.71073","MoKα","","0.0319","0.0272","","","0.0696","0.0717","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016327","9.2414","0.0004","21.7781","0.001","11.4322","0.0006","90","","100.273","0.004","90","","2263.96","0.19","110","0.2","110","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-<i>N,N'</i>-diethyl (1,2-diphenylethane-1,2-diyl)bis(2-thiooxamate)","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","GD3156","Piotrkowska, Barbara; Połoński, Tadeusz; Gdaniec, Maria","Supramolecular structures of bis-thionooxalamic acid esters derived from (±)-cyclohexane-1,2-diamine and (±)-1,2-diphenylethylenediamine","Acta Crystallographica Section C","2007","63","12","o693","o696","10.1107/S0108270107049797","","","0.71073","MoKα","","0.0439","0.0319","","","0.0799","0.0835","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016328","15.9395","0.0007","6.2397","0.0002","10.6094","0.0006","90","","101.383","0.003","90","","1034.43","0.08","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato- κ^2^O:O']","","- C11 H10 Cu O4 -","- C11 H10 Cu O4 -","- C44 H40 Cu4 O16 -","4","1","GD3161","Chun-Sen Liu; Ze Chang; Jun-Jie Wang","<i>catena</i>-Poly[[aquacopper(II)]-μ-hydroxido-μ-naphthalene-1-carboxylato-κ^2^<i>O</i>:<i>O</i>']: effect of a bulky aromatic skeleton in self-assembly","Acta Crystallographica Section C","2007","63","12","m589","m591","10.1107/S0108270107054650","","","0.71073","MoKα","","0.0494","0.0358","","","0.0779","0.0844","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016329","7.0284","0.0002","7.3655","0.0002","11.4912","0.0004","86.829","0.002","78.746","0.003","65.357","0.003","530.07","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","tetraaqua-trans-bis(6-methylnicotinato-O)cobalt(II) tetrahydrate","tetraaqua-trans-bis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate","","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","- C14 H28 Co N2 O12 -","1","0.5","GD3165","Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana","A new coordination mode of 6-methylnicotinic acid in <i>trans</i>-tetraaquabis(6-methylpyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate","Acta Crystallographica Section C","2007","63","12","m615","m617","10.1107/S0108270107056570","","","0.71073","MoKα","","0.0372","0.0339","","","0.086","0.0892","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016330","13.212","0.003","6.0975","0.0013","29.028","0.006","90","","101.764","0.003","90","","2289.4","0.9","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,9,16,19-tetraphenyl-5,15-distyryl-3,13,25,26-tetraoxa-2,12- diborapentacyclo[16.2.2.2^8,11^.1^2,5^.1^12,15^]hexacosa-1(20),7,10,17-tetraene","","- C60 H54 B2 O4 -","- C60 H54 B2 O4 -","- C120 H108 B4 O8 -","2","0.5","GG3111","De, Subhasis; Day, Cynthia S.; Welker, Mark E.","An unusual oligomerization/oxidation reaction of a 3-boron-substituted 1-phenylbuta-1,3-diene produces 6,9,16,19-tetraphenyl-5,15-distyryl-3,13,25,26-tetraoxa-2,12-diborapentacyclo[16.2.2.2^8,11^.1^2,5^.1^12,15^]hexacosa-1(20),7,10,17-tetraene","Acta Crystallographica Section C","2007","63","12","o729","o730","10.1107/S0108270107050986","","","0.71073","MoKα","","0.0946","0.0478","","","0.0949","0.1074","","","","","","0.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016331","13.5307","0.0012","9.8246","0.0009","16.0701","0.0014","90","","111.013","0.002","90","","1994.2","0.3","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[2-(Dimethylaminomethyl)phenyl]triselenide","","- C18 H24 N2 Se3 -","- C18 H24 N2 Se3 -","- C72 H96 N8 Se12 -","4","1","GG3121","Kulcsar, Monika; Silvestru, Anca; Cziple, Florentina","1,3-Bis[2-(dimethylaminomethyl)phenyl]triselenide","Acta Crystallographica Section C","2007","63","12","o701","o703","10.1107/S0108270107051591","","","0.71073","MoKα","","0.0519","0.0408","","","0.0803","0.0838","","","","","","1.141","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016332","26.262","0.003","7.1677","0.0007","10.3351","0.0008","90","","108.687","0.003","90","","1842.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lithium acetysalicylate hemihydrate","catena-Poly[[lithium(I)-μ~3~-acetylsalicylato] hemihydrate]","","- C9 H8 Li O4.5 -","- C9 H8 Li O4.5 -","- C72 H64 Li8 O36 -","8","1","GZ3111","Jean-Baptiste Arlin; Fiona Addison; Alan R. Kennedy","Lithium aspirinate hemihydrate","Acta Crystallographica Section C","2007","63","12","m563","m565","10.1107/S0108270107051104","","","0.71073","MoKα","","0.0752","0.0404","","","0.0836","0.0947","","","","","","1.02","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016333","9.7644","0.0007","14.8595","0.0015","16.9586","0.0012","90","","90","","90","","2460.6","0.4","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2- (ethylsulfanylmethyl)ferrocene]palladium(II)","","- C25 H25 Cl2 Fe P Pd S -","- C25 H25 Cl2 Fe P Pd S -","- C100 H100 Cl8 Fe4 P4 Pd4 S4 -","4","1","HJ3055","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2-(ethylsulfanylmethyl)ferrocene]palladium(II)","Acta Crystallographica Section C","2007","63","12","m586","m588","10.1107/S0108270107052742","","","0.71073","MoKα","","0.0253","0.0236","","","0.0581","0.0587","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016334","7.4136","0.0001","23.4782","0.0003","10.3932","0.0002","90","","110.369","0.0006","90","","1695.9","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5- trimethoxyphenyl)acrylonitrile","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C80 H68 N4 O12 S4 -","4","1","HJ3056","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile","Acta Crystallographica Section C","2007","63","12","o743","o745","10.1107/S0108270107054959","","","0.71073","MoKα","","0.0722","0.0449","","","0.1135","0.1273","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016335","9.2958","0.0002","6.083","0.0001","27.2763","0.0007","90","","92.1871","0.001","90","","1541.25","0.06","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4- dimethoxyphenyl)acrylonitrile","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C76 H60 N4 O8 S4 -","4","1","HJ3056","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-3-(Benzo[<i>b</i>]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (<i>Z</i>)-3-(benzo[<i>b</i>]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile","Acta Crystallographica Section C","2007","63","12","o743","o745","10.1107/S0108270107054959","","","0.71073","MoKα","","0.0895","0.0471","","","0.1106","0.1272","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016336","6.7083","0.0012","7.865","0.0014","28.811","0.005","90","","90","","90","","1520.1","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarbonitrile","","- C9 H3 N3 -","- C9 H3 N3 -","- C72 H24 N24 -","8","2","HJ3057","Jones, Peter G.; Hopf, Henning; Mlynek, Cornelia; Swaminathan, Vijay Narayanan","Weak C—H···N[tripleC hydrogen bonds in the structures of two poly(cyano)-substituted ring systems","Acta Crystallographica Section C","2007","63","12","o723","o725","10.1107/S0108270107052535","","","0.71073","MoKα","","0.0693","0.0539","","","0.1099","0.1151","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016337","7.0277","0.0006","15.1197","0.0014","14.3219","0.0014","90","","103.603","0.004","90","","1479.1","0.2","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2.2]paracyclophane-4,5,12,13-tetracarbonitrile","","- C20 H12 N4 -","- C20 H12 N4 -","- C80 H48 N16 -","4","1","HJ3057","Jones, Peter G.; Hopf, Henning; Mlynek, Cornelia; Swaminathan, Vijay Narayanan","Weak C—H···N[tripleC hydrogen bonds in the structures of two poly(cyano)-substituted ring systems","Acta Crystallographica Section C","2007","63","12","o723","o725","10.1107/S0108270107052535","","","0.71073","MoKα","","0.0608","0.043","","","0.1199","0.1298","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016338","14.4217","0.0015","9.5445","0.0013","15.6198","0.0019","90","","115.647","0.002","90","","1938.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","di-μ-chlorido-bis{[N,N'-bis(4-chlorobenzyl)propane-1,2- diamine]chloridocopper(II)}","","- C34 H40 Cl8 Cu2 N4 -","- C34 H40 Cl8 Cu2 N4 -","- C68 H80 Cl16 Cu4 N8 -","2","0.5","HJ3060","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi; Liu, Yu-Fen","The dinuclear copper(II) complexes di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(4-chlorobenzyl)propane-1,2-diamine]chloridocopper(II)} and di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,2-diamine]chloridocopper(II)}","Acta Crystallographica Section C","2007","63","12","m610","m614","10.1107/S0108270107058519","","","0.71073","MoKα","","0.0551","0.0312","","","0.0684","0.082","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016339","12.2965","0.0013","11.0554","0.0012","15.822","0.002","90","","98.14","0.002","90","","2129.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","di-μ-chlorido-bis{[N,N'-bis(3,4-methylenedioxybenzyl)propane-1,2- diamine]chloridocopper(II)}","","- C19 H22 Cl2 Cu N2 O4 -","- C19 H22 Cl2 Cu N2 O4 -","- C76 H88 Cl8 Cu4 N8 O16 -","4","1","HJ3060","Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi; Liu, Yu-Fen","The dinuclear copper(II) complexes di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(4-chlorobenzyl)propane-1,2-diamine]chloridocopper(II)} and di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,2-diamine]chloridocopper(II)}","Acta Crystallographica Section C","2007","63","12","m610","m614","10.1107/S0108270107058519","","","0.71073","MoKα","","0.1491","0.0632","","","0.1478","0.2165","","","","","","1.136","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2016340","16.087","0.003","5.2965","0.001","23.022","0.004","90","","90","","90","","1961.6","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","Bi5 O7 Br","pentabismuth heptoxide bromide","","- Bi5 Br O7 -","- Bi5 Br O7 -","- Bi40 Br8 O56 -","8","","IZ3029","Keller, E.; Krämer, V.","Bi~5~O~7~Br and its structural relation to α-Bi~5~O~7~I","Acta Crystallographica Section C","2007","63","12","i109","i111","10.1107/S0108270107049025","","","0.71073","MoKα","","0.0884","0.0484","","","0.0858","0.0944","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016341","9.5416","0.0004","11.3992","0.0005","10.7465","0.0004","120.472","0.002","92.47","0.002","55.531","0.002","780.08","0.07","293","2","293","2","","","","","","","Chapacase mine, Sierra Cerillos district, Tocopilla, Chile","6","P -1","-P 1","2","Iranite","copper decalead hexachromate bis(orthosilicate) dihydroxide","Iranite","- Cr6 Cu H2 O34 Pb10 Si2 -","- Cr6 Cu O34 Pb10 Si2 -","- Cr6 Cu O34 Pb10 Si2 -","1","0.5","IZ3032","Yang, Hexiong; Sano, Jennifer L.; Eichler, Carla; Downs, Robert T.; Costin, Gelu","Iranite, CuPb~10~(CrO~4~)~6~(SiO~4~)~2~(OH)~2~, isomorphous with hemihedrite","Acta Crystallographica Section C","2007","63","12","i122","i124","10.1107/S0108270107053449","","","0.71073","MoKα","","0.0496","0.0341","","","0.0621","0.0698","","","","","","1.013","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2016342","12.265","0.001","13.197","0.001","9.7385","0.0009","90","","108.63","0.01","90","","1493.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Ferrous iron hydroxide phosphate","diiron(II) phosphate hydroxide","","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","IZ3034","Hatert, Frédéric","Fe^II^~2~(PO~4~)(OH), a synthetic analogue of wolfeite","Acta Crystallographica Section C","2007","63","12","i119","i121","10.1107/S0108270107053462","","","0.71073","MoKα","","0.081","0.03","","","0.0573","0.0652","","","","","","0.856","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016343","9.0914","0.0009","12.6225","0.0009","18.5025","0.0017","90","","94.576","0.008","90","","2116.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9H-fluorene- 9,3'-1H-indazole]-1'-carbonitrile","","- C27 H22 Cl N3 -","- C27 H22 Cl N3 -","- C108 H88 Cl4 N12 -","4","1","LN3061","Bilewicz, Elżbieta; Małecka, Magdalena; Grabowski, Sławomir J.; Mlostoń, Grzegorz","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9<i>H</i>-fluorene-9,3'-1<i>H</i>-indazole]-1'-carbonitrile and methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9<i>H</i>-fluorene-9,3'-pyrazolidine]-4'-carboxylate","Acta Crystallographica Section C","2007","63","12","o739","o742","10.1107/S0108270107053619","","","0.71073","MoKα","","0.0617","0.036","","","0.0755","0.0814","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016344","11.1818","0.0005","13.2534","0.0004","28.1265","0.0011","90","","96.363","0.003","90","","4142.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9H-fluorene-9,3'-pyrazolidine]- 4'-carboxylate","","- C24 H17 Cl2 N3 O2 -","- C24 H17 Cl2 N3 O2 -","- C192 H136 Cl16 N24 O16 -","8","2","LN3061","Bilewicz, Elżbieta; Małecka, Magdalena; Grabowski, Sławomir J.; Mlostoń, Grzegorz","2'-(4-Chlorophenyl)-2,3,4,5,6,7-hexahydro-4',7'-methanospiro[9<i>H</i>-fluorene-9,3'-1<i>H</i>-indazole]-1'-carbonitrile and methyl 4'-chloro-2'-(4-chlorophenyl)-1'-cyanospiro[9<i>H</i>-fluorene-9,3'-pyrazolidine]-4'-carboxylate","Acta Crystallographica Section C","2007","63","12","o739","o742","10.1107/S0108270107053619","","","0.71073","MoKα","","0.0662","0.0356","","","0.0728","0.0791","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016345","6.6594","0.0001","9.5373","0.0002","13.6949","0.0003","73.832","0.002","86.714","0.002","75.399","0.002","808.34","0.03","183","","183","","","","","","","","","5","P -1","-P 1","2","","(Nitrato-κO)bis(pyridine-2-carboxamide-κ^2^<i>N</i>,<i>O</i>)mercury(II) nitrate","","- C12 H12 Hg N6 O8 -","- C12 H12 Hg N6 O8 -","- C24 H24 Hg2 N12 O16 -","2","1","LN3068","Đaković, Marijana; Popović, Zora","(Nitrato-κ<i>O</i>)bis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)mercury(II) nitrate","Acta Crystallographica Section C","2007","63","12","m557","m559","10.1107/S0108270107051566","","","0.71073","MoKα","","0.0192","0.0155","","","0.034","0.0348","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016346","7.6402","0.0015","11.775","0.002","26.927","0.005","90","","90","","90","","2422.4","0.8","153","2","153","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","[2.2.2](1,2,4)cyclophan-9-ene","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","LN3070","Broschinski, Klaus; Kannan, Arunachalam; Jones, Peter G.; Dix, Ina; Hopf, Henning","The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene","Acta Crystallographica Section C","2007","63","12","o711","o713","10.1107/S0108270107050937","","","0.71073","MoKα","","0.091","0.0543","","","0.1282","0.1501","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016347","6.2627","0.0009","8.6572","0.0008","27.943","0.002","90","","92.578","0.01","90","","1513.5","0.3","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(<i>E</i>)-(4-nitrophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","SF3059","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Two 9-[(<i>E</i>)-nitrophenylvinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o690","o692","10.1107/S0108270107049621","","","0.71073","MoKα","","0.092","0.0444","","","0.0989","0.1057","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016348","8.1085","0.0016","7.5179","0.0011","24.122","0.004","90","","90.507","0.014","90","","1470.4","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-[(<i>E</i>)-(3-nitrophenyl)vinyl]-9<i>H</i>-carbazole","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","SF3059","Kubicki, Maciej; Prukała, Wiesław; Marciniec, Bogdan","Two 9-[(<i>E</i>)-nitrophenylvinyl]-9<i>H</i>-carbazoles","Acta Crystallographica Section C","2007","63","12","o690","o692","10.1107/S0108270107049621","","","0.71073","MoKα","","0.1227","0.0463","","","0.074","0.0922","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016349","7.6382","0.0007","14.9272","0.0015","40.857","0.004","90","","90","","90","","4658.4","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyl N,N-bis[2-(pentafluoroanilino)ethyl]carbamate","","- C24 H17 F10 N3 O2 -","- C24 H17 F10 N3 O2 -","- C192 H136 F80 N24 O16 -","8","1","SF3060","Churakov, Andrei V.; Karlov, Sergey S.; Lermontova, Elmira Kh.; Zaitseva, Galina S.; Howard, Judith A. K.","Benzyl <i>N</i>,<i>N</i>-bis[2-(pentafluoroanilino)ethyl]carbamate","Acta Crystallographica Section C","2007","63","12","o761","o762","10.1107/S0108270107057939","","","0.71073","MoKα","","0.0722","0.0481","","","0.0947","0.1021","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016350","5.9278","0.0005","22.256","0.002","7.2456","0.0006","90","","113.393","0.002","90","","877.33","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(quinoxaline-2-carboxylato-κ^2^N^1^,O)copper(II)","","- C18 H14 Cu N4 O6 -","- C18 H14 Cu N4 O6 -","- C36 H28 Cu2 N8 O12 -","2","0.5","SF3062","Yue Feng; Gang Liu; Xiu-Mei Tian; Ji-De Wang","Diaquabis(quinoxaline-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)","Acta Crystallographica Section C","2007","63","12","m598","m600","10.1107/S0108270107053723","","","0.71073","MoKα","","0.0302","0.0288","","","0.0849","0.0862","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016351","7.582","0.002","17.482","0.005","18.731","0.005","90","","100.368","0.004","90","","2442.2","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(2-Pyridyl)benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(p-toluato- κ^2^<i>O</i>,<i>O'</i>)manganese(II)","","- C28 H23 Mn N3 O4 -","- C28 H23 Mn N3 O4 -","- C112 H92 Mn4 N12 O16 -","4","1","SK3169","Ma, Cheng-Bing; Chen, Chang-Neng; Liu, Qiu-Tian","[2-(2-Pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(<i>p</i>-toluato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Acta Crystallographica Section C","2007","63","12","m618","m621","10.1107/S0108270107055023","","","0.71073","MoKα","","","0.0361","","","0.0975","0.1045","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016352","10.686","0.0012","7.1647","0.0014","14.4911","0.0012","90","","110.024","0.009","90","","1042.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-6-(methylanilino)pyrimidin-4(3H)-one","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","1","SK3172","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-6-(<i>N</i>-methylanilino)pyrimidin-4(3<i>H</i>)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(<i>N</i>-methylanilino)-5-nitropyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","12","o697","o700","10.1107/S0108270107049931","","","0.71073","MoKα","","0.0952","0.05","","","0.1129","0.1368","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016353","8.955","0.003","11.2165","0.0015","11.567","0.0015","90","","90","","90","","1161.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-6-(methylanilino)-5-nitropyrimidin-4(3H)-one","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","SK3172","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-6-(<i>N</i>-methylanilino)pyrimidin-4(3<i>H</i>)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(<i>N</i>-methylanilino)-5-nitropyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","12","o697","o700","10.1107/S0108270107049931","","","0.71073","MoKα","","0.1299","0.0544","","","0.1123","0.1378","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016354","8.1157","0.0016","7.8434","0.0016","16.723","0.003","90","","96.9","0.03","90","","1056.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-aminonaphthalene-1-sulfonic acid monohydrate","5-Ammonionaphthalene-1-sulfonate monohydrate","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C40 H44 N4 O16 S4 -","4","1","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.058","0.0421","","","0.1119","0.1196","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016355","8.3263","0.0003","22.8436","0.0007","7.494","0.0002","90","","90","","90","","1425.38","0.08","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquamanganese(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquamanagnese(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 Mn N2 O15 S2 -","- C20 H34 Mn N2 O15 S2 -","- C40 H68 Mn2 N4 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0284","0.0275","","","0.0736","0.074","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016356","8.1031","0.0006","22.9375","0.0018","7.4607","0.0006","90","","90","","90","","1386.68","0.19","140","2","140","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","hexaaquanickel(II) 5-aminonaphthalene-1-sulfonate trihydrate","hexaaquanickel(II) bis(5-aminonaphthalene-1-sulfonate) trihydrate","","- C20 H34 N2 Ni O15 S2 -","- C20 H34 N2 Ni O15 S2 -","- C40 H68 N4 Ni2 O30 S4 -","2","0.5","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0267","0.0252","","","0.0585","0.0589","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016357","7.013","0.002","8.71","0.003","22.385","0.007","89.394","0.008","83.909","0.008","88.271","0.008","1359","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","hexaaquacobalt(II) 5-aminonaphthalene-1-sulfonate dihydrate","hexaaquacobalt(II) bis(5-aminonaphthalene-1-sulfonate) dihydrate","","- C20 H32 Co N2 O14 S2 -","- C20 H30 Co N2 O14 S2 -","- C40 H60 Co2 N4 O28 S4 -","2","1","SK3173","Genther, Dane J.; Squattrito, Philip J.; Kirschbaum, Kristin; Yearley, Eric J.; Pinkerton, A. Alan","5-Aminonaphthalene-1-sulfonic acid and its manganese, nickel and cobalt salts","Acta Crystallographica Section C","2007","63","12","m604","m609","10.1107/S0108270107052286","","","0.71073","MoKα","","0.0661","0.0584","","","0.1461","0.1567","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016358","7.845","0.005","16.965","0.01","26.915","0.015","90","","97.896","0.009","90","","3548","4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[N,N'-(2-chlorobenzylidene)ethylenediamine-κ^2^N,N']copper(I) dichloridocuprate(I) acetonitrile solvate","","- C34 H31 Cl6 Cu2 N5 -","- C34 H31 Cl6 Cu2 N5 -","- C136 H124 Cl24 Cu8 N20 -","4","1","SK3174","Habibi, Mohammad Hossein; Montazerozohori, Morteza; Barati, Kazem; Harrington, Ross W.; Clegg, William","Bis[<i>N</i>,<i>N</i>'-(2-chlorobenzylidene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichloridocuprate(I) acetonitrile solvate","Acta Crystallographica Section C","2007","63","12","m592","m594","10.1107/S0108270107054960","","","0.8462","synchrotron","","0.113","0.0559","","","0.1106","0.127","","","","","","0.788","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016359","10.1975","0.0014","10.959","0.002","11.046","0.002","94.079","0.016","109.845","0.011","113.339","0.01","1035.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-{2-Amino-4-ethoxy-6-[<i>N</i>-(4-methoxyphenyl)-N- methylamino]pyrimidin-5-yl}-1-phenylprop-2-en-1-one","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C46 H48 N8 O6 -","2","1","SK3178","Trilleras, Jorge; Quiroga, Jairo; Low, John N.; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-{2-Amino-4-ethoxy-6-[<i>N</i>-(4-methoxyphenyl)-<i>N</i>-methylamino]pyrimidin-5-yl}-1-phenylprop-2-en-1-one: a boat-shaped pyrimidine ring and a chain of hydrogen-bonded <i>R</i>^4^~2~(8) and <i>R</i>^2^~2~(20) rings","Acta Crystallographica Section C","2007","63","12","o758","o760","10.1107/S0108270107056569","","","0.71073","MoKα","","0.0836","0.047","","","0.0968","0.113","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016360","6.8534","0.0001","29.6631","0.0007","22.2107","0.0005","90","","94.408","0.001","90","","4501.93","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Butobarbital","5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C160 H256 N32 O48 -","16","4","SK3179","Gelbrich, Thomas; Zencirci, Neslihan; Griesser, Ulrich J.","A polymorph of butobarbital with two distinct hydrogen-bonding motifs","Acta Crystallographica Section C","2007","63","12","o751","o753","10.1107/S0108270107057174","","","0.71073","MoKα","","0.1231","0.0772","","","0.1237","0.1379","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016361","10.392","0.002","10.224","0.002","8.7073","0.0017","90","","109.43","0.03","90","","872.4","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","poly[triaquabis(dimethylformamide)di-μ~3~-oxalato-μ~2~-oxalato-\ dilanthanum(III)]","","- C9 H13 La2 N O16 -","- C9 H13 La2 N O16 -","- C18 H26 La4 N2 O32 -","2","0.5","SQ3099","Wang, Jingen; Huang, Xihe; Huang, Changcang; Song, Haiyan; Yang, Duoping","A new three-dimensional neutral framework of lanthanum oxalate: [La~2~(C~2~O~4~)~3~(DMF)(H~2~O)~3~]~<i>n~</i>","Acta Crystallographica Section C","2007","63","12","m583","m585","10.1107/S0108270107053292","","","0.71073","MoKα","","0.0303","0.0261","","","0.056","0.0579","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016362","5.7461","0.0002","5.7278","0.0002","4.0409","0.0003","90","","90.155","0.003","90","","132.996","0.012","4","","4","","","","","","","","","5","C 1 m 1","C -2y","8","PZN-8%PT","lead zinc niobium titanium trioxide","","- Nb0.61 O3 Pb Ti0.08 Zn0.31 -","- Nb0.61333 O3 Pb Ti0.08 Zn0.30666 -","- Nb1.22666 O6 Pb2 Ti0.16 Zn0.61332 -","2","0.5","SQ3101","Forrester, Jennifer S.; Kisi, Erich H.","Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K","Acta Crystallographica Section C","2007","63","12","i115","i118","10.1107/S0108270107050640","","neutron","","neutron","","","","","","","","","","1.28","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016363","28.547","0.006","7.4223","0.0015","23.822","0.005","90","","122.34","0.03","90","","4265","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{3-[4-(aminocarbonylmethyl)phenoxy]-2-hydroxypropyl)isopropylammonium 4-aminobenzoate monohydrate","","- C21 H31 N3 O6 -","- C21 H31 N3 O6 -","- C168 H248 N24 O48 -","8","1","SQ3104","Lou, Benyong; Boström, Dan; Velaga, Sitaram P.","Hydrogen-bonding interactions in the 4-aminobenzoic acid salt of atenolol monohydrate","Acta Crystallographica Section C","2007","63","12","o714","o716","10.1107/S0108270107051049","","","0.71073","MoKα","","0.0638","0.0482","","","0.1282","0.1379","","","","","","1.076","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016364","7.4255","0.0004","10.1954","0.0009","11.1581","0.0009","77.129","0.003","86.933","0.005","72.384","0.005","784.8","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^4^N:S;κ^4^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","1","0.5","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.0383","0.0313","","","0.0744","0.077","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016365","17.2484","0.0002","18.0383","0.0003","18.7816","0.0003","90","","90","","90","","5843.55","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^6^N:S;κ^2^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C224 H128 N32 Pd16 S64 -","8","1","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.047","0.0363","","","0.0882","0.0952","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016366","13.132","0.0003","12.2045","0.0003","17.2959","0.0005","90","","91.622","0.0014","90","","2770.89","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[2-(dimethylamino)ethylimino]butan-2-one oximato}dinickel(II) bis(perchlorate) acetonitrile solvate","","- C18 H35 Cl2 N7 Ni2 O10 -","- C18 H35 Cl2 N7 Ni2 O10 -","- C72 H140 Cl8 N28 Ni8 O40 -","4","1","TR3024","Bera, Manindranath; Noll, Bruce C.","Two new oximate-bridged square-planar dinuclear nickel(II) complexes","Acta Crystallographica Section C","2007","63","12","m553","m556","10.1107/S0108270107048937","","","0.71073","MoKα","","0.0437","0.0349","","","0.0894","0.0948","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016367","12.5432","0.0005","8.9714","0.0004","13.7277","0.0005","90","","93.745","0.002","90","","1541.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-3-[2-(dimethylamino)ethylimino]-1-phenylpropan-2-one oximato}dinickel(II) bis(perchlorate)","","- C26 H36 Cl2 N6 Ni2 O10 -","- C26 H36 Cl2 N6 Ni2 O10 -","- C52 H72 Cl4 N12 Ni4 O20 -","2","0.5","TR3024","Bera, Manindranath; Noll, Bruce C.","Two new oximate-bridged square-planar dinuclear nickel(II) complexes","Acta Crystallographica Section C","2007","63","12","m553","m556","10.1107/S0108270107048937","","","0.71073","MoKα","","0.0291","0.0229","","","0.0599","0.0628","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019341","3.8604","0.0002","22.22","0.001","7.6932","0.0003","90","","90","","90","","659.91","0.05","298","","298","","","","","","","","","5","I m m m","-I 2 2","71","","potassium strontium diniobium hexaoxide fluoride","","- F K Nb2 O6 Sr -","- F K Nb2 O6 Sr -","- F4 K4 Nb8 O24 Sr4 -","4","0.25","FA3094","Yoo, Chung-Yul; Hong, Kun-Pyo; Kim, Seung-Joo","A new layered perovskite, KSrNb2O6F, by powder neutron diffraction","Acta Crystallographica Section C Crystal Structure Communications","2007","63","8","i63","5","10.1107/S0108270107029563","","neutron","1.8371","neutron","","","","","","","","","","1.97","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"9011392","9.9885","","9.9885","","9.9885","","90","","90","","90","","996.554","","","","","","","","","","","","Eagle Claims, Beaverlodge Lake area, Saskatchewan, Canada","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Tyrrellite","- Co1.36 Cu Ni0.64 Se4 -","- Co1.36 Cu Ni0.64 Se4 -","- Co10.88 Cu8 Ni5.12 Se32 -","8","0.0416667","","Yang, H.; Hubler, D. K.; Lavina, B.; Downs, R. T.; Costin, G.","Tyrrellite, Cu(Co0.68Ni0.32)2Se4, isostructural with spinel","Acta Crystallographica, Section C","2007","63","","i73","i74","10.1107/S010827010703048X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011393","6.5109","","8.7301","","6.9046","","90","","112.246","","90","","363.251","","","","","","","","","","","","Kjorrestad, near Bamle, Norway","6","C 1 2/c 1","-C 2yc","15","","","Isokite","- Ca F0.8 H0.2 Mg O4.2 P -","- Ca F0.8 H0.2 Mg O4.2 P -","- Ca4 F3.2 H0.8 Mg4 O16.8 P4 -","4","0.5","","Yang, H.; Zwick, J.; Downs, R. T.; Costin, G.","Isokite, CaMg(PO4)F0.8(OH)0.2, isomorphous with titanite","Acta Crystallographica, Section C","2007","63","","i89","i90","10.1107/S0108270107041169","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011394","5.4258","","10.2027","","8.9074","","90","","90.502","","90","","493.075","","","","","","","","","","","","Hot Springs County, Arkansas, USA","7","P 1 21/n 1","-P 2yn","14","","","Kolbeckite","- Al0.01 Fe0.02 H4 O6 P Sc0.94 V0.03 -","- Al0.01 Fe0.02 H4 O6 P Sc0.94 V0.03 -","- Al0.04 Fe0.08 H16 O24 P4 Sc3.76 V0.12 -","4","1","","Yang, H.; Li, C.; Jenkins, R. A.; Downs, R. T.; Costin, G.","Kolbeckite, ScPO4*2H2O, isomorphous with metavariscite","Acta Crystallographica, Section C","2007","63","","i91","i92","10.1107/S0108270107038036","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9013404","12.265","","13.197","","9.7385","","90","","108.63","","90","","1493.69","","","","1063","","","","2500000","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Wolfeite","- Fe2 H O5 P -","- Fe2 H O5 P -","- Fe32 H16 O80 P16 -","16","4","","Hatert, F.","Fe2(PO4)(OH), a synthetic analogue of wolfeite Sample: T = 1063 K, P = 2.5 GPa","Acta Crystallographica, Section C","2007","63","","i119","i121","10.1107/S0108270107053462","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""