# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T08:06:37+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 E: Structure Reports Online') AND volume = 68 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
"2233071","5.6929","0.001","7.7355","0.0014","8.6102","0.0015","67.233","0.002","80.755","0.002","69.837","0.002","328.04","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(4H-1,2,4-Triazol-4-yl)pyrimidine","","- C6 H5 N5 -","- C6 H5 N5 -","- C12 H10 N10 -","2","1","AA2030","Wang, Qian; Wang, Sheng; Wang, Yuan Yuan; Wang, Ying","2-(4H-1,2,4-Triazol-4-yl)pyrimidine","Acta Crystallographica Section E","2012","68","1","o53","","10.1107/S1600536811051968","","","0.71073","MoKα","","0.0483","0.0346","","","0.0899","0.1013","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233072","7.0222","0.0008","7.7313","0.0009","10.5927","0.0012","108.473","0.01","97.108","0.009","90.394","0.009","540.61","0.11","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","1,2-Bis(dibromomethyl)benzene","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","1","AA2031","Fang, Sin-Kai; Lin, Hong-Yi; Chen, Kew-Yu","1,2-Bis(dibromomethyl)benzene","Acta Crystallographica Section E","2012","68","1","o5","","10.1107/S1600536811050616","","","0.71073","MoKα","","0.1821","0.0907","","","0.2136","0.2584","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233073","14.232","0.003","14.232","0.003","17.615","0.004","90","","90","","90","","3567.9","1.3","298","2","298","2","","","","","","","","4","P 43","P 4cw","78","","20,23,26,29,32,35,38,41-octaoxa-5,9,13- triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta- 1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","","- C36 H45 N3 O11 -","- C36 H45 N3 O11 -","- C144 H180 N12 O44 -","4","1","AA2033","Pan, Shaowu; Yang, Dengke; Yang, Yu; Jiang, Lasheng","20,23,26,29,32,35,38,41-Octaoxa-5,9,13-triazapentacyclo[15.14.10.1^3,30^.1^7,11^.1^15,19^]tetratetraconta-1,3(42),7,9,11(44),15(43),16,18,30-nonaene-6,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","1","o107","","10.1107/S1600536811051877","","","0.71073","MoKα","","0.104","0.0557","","","0.1409","0.1721","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233074","5.292","0.0011","10.689","0.002","12.732","0.003","95.45","0.03","92.76","0.03","96.84","0.03","710.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Hexyl (E)-3-(3,4-dihydroxyphenyl)acrylate","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","AA2034","Wang, Jun; Gu, Shuang-Shuang; Li, Jing; Wu, Fu-An","Hexyl (E)-3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2012","68","1","o78","","10.1107/S1600536811051671","","","0.71073","MoKα","","0.1112","0.061","","","0.1469","0.178","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233075","12.328","0.003","12.787","0.003","13.139","0.003","90","","110.16","0.03","90","","1944.3","0.9","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","5-(3-Chlorophenylsulfanyl)-1-methyl-3-trifluoromethyl-1H-pyrazole-4- carbaldehyde O-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","","- C16 H11 Cl2 F3 N4 O S2 -","- C16 H11 Cl2 F3 N4 O S2 -","- C64 H44 Cl8 F12 N16 O4 S8 -","4","1","AA2035","Dai, Hong; Li, Shuang; Luo, Kun-Peng; Fang, Jian-Xin; Shi, Yu-Jun","5-(3-Chlorophenylsulfanyl)-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime","Acta Crystallographica Section E","2012","68","1","o155","","10.1107/S160053681105358X","","","0.71073","MoKα","","0.1045","0.0878","","","0.2292","0.2725","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233076","7.4689","0.0003","9.9449","0.0004","10.0653","0.0004","98.415","0.002","102.146","0.002","110.341","0.003","665.38","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C13 H13 Br O3 S -","- C13 H13 Br O3 S -","- C26 H26 Br2 O6 S2 -","2","1","BG2430","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","1","o58","","10.1107/S1600536811052160","","","0.71073","MoKα","","0.0296","0.0244","","","0.0615","0.0636","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233077","33.111","0.008","3.8413","0.0007","25.22","0.006","90","","115.995","0.002","90","","2883.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","","- C14 H9 Cl3 N2 O S -","- C14 H9 Cl3 N2 O S -","- C112 H72 Cl24 N16 O8 S8 -","8","1","BG2439","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin; Imtiaz-ud-Din","1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","1","o119","","10.1107/S1600536811052780","","","0.7107","MoKα","","0.0472","0.036","","","0.0793","0.0844","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233078","8.419","0.0017","9.265","0.0019","11.944","0.002","69.77","0.03","76.74","0.03","66.1","0.03","794.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- 1H-pyrazol-5-yl}acetamide","","- C13 H6 Cl3 F3 N4 O -","- C13 H6 Cl3 F3 N4 O -","- C26 H12 Cl6 F6 N8 O2 -","2","1","BH2393","Zhang, Jian-qiang; He, Qiu; Jiang, Qiang-hua; Mu, Hai-pin; Wan, Rong","2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}acetamide","Acta Crystallographica Section E","2012","68","1","o104","","10.1107/S1600536811052743","","","0.71073","MoKα","","0.0686","0.0527","","","0.1405","0.1553","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233079","10.4356","0.0006","10.719","0.0008","11.2908","0.0009","92.041","0.006","98.24","0.005","100.87","0.005","1224.96","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ~3~-N'-oxidopyridine-2-carboximidamidato(2-)]bis[μ~2~-N'- oxidopyridine-2-carboximidamidato(1-)]tetrapyridinetetranickel(II) dinitrate","","- C44 H42 N18 Ni4 O10 -","- C44 H42 N18 Ni4 O10 -","- C44 H42 N18 Ni4 O10 -","1","0.5","BH2397","Deng, Xiao-Hui; Ran, Jing-Wen","Bis[μ~3~-N'-oxidopyridine-2-carboximidamidato(2{-})]bis[μ~2~-N'-oxidopyridine-2-carboximidamidato(1{-})]tetrapyridinetetranickel(II) dinitrate","Acta Crystallographica Section E","2012","68","1","m40","","10.1107/S1600536811052524","","","0.71073","MoKα","","0.0624","0.0408","","","0.0888","0.1","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233080","19.7122","0.0004","19.7122","0.0004","7.1738","0.0002","90","","90","","90","","2787.53","0.11","294","2","294","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","N-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","","- C12 H17 Br Cl N O -","- C12 H17 Br Cl N O -","- C96 H136 Br8 Cl8 N8 O8 -","8","1","BH2400","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","N-[2-(4-Bromobenzoyl)ethyl]isopropylaminium chloride","Acta Crystallographica Section E","2012","68","1","o71","","10.1107/S1600536811052640","","","0.71073","MoKα","","0.1359","0.0761","","","0.1539","0.1805","","","","","","1.068","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233081","11.9209","0.0008","17.9387","0.001","9.368","0.0005","90","","91.277","0.005","90","","2002.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-4-azidobenzoato-κ^2^O:O')bis[(N,N- dimethylformamide-κO)copper(II)]","","- C34 H30 Cu2 N14 O10 -","- C34 H30 Cu2 N14 O10 -","- C68 H60 Cu4 N28 O20 -","2","0.5","BH2402","Wang, Aidong","Tetrakis(μ-4-azidobenzoato-κ^2^O:O')bis[(N,N-dimethylformamide-κO)copper(II)]","Acta Crystallographica Section E","2012","68","1","m43","","10.1107/S1600536811050999","","","0.71073","MoKα","","0.038","0.0331","","","0.0872","0.0911","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233082","8.783","0.0003","9.7262","0.0003","9.9157","0.0003","66.164","0.002","72.83","0.002","77.926","0.002","736.35","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(2-carboxyethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid methanol monosolvate","","- C14 H13 N O9 -","- C14 H13 N O9 -","- C28 H26 N2 O18 -","2","1","BH2403","Khorasani, Sanaz; Fernandes, Manuel A.","2-(2-Carboxyethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid methanol monosolvate","Acta Crystallographica Section E","2012","68","1","o121","","10.1107/S1600536811052755","","","0.71073","MoKα","","0.0783","0.0416","","","0.0829","0.0934","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233083","8.3428","0.0017","10.502","0.002","11.742","0.002","90","","105.81","0.03","90","","989.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(trimethylammonium) naphthalene-1,5-disulfonate","","- C16 H26 N2 O6 S2 -","- C16 H26 N2 O6 S2 -","- C32 H52 N4 O12 S4 -","2","0.5","BH2404","Jin, Yu","Bis(trimethylammonium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","1","o90","","10.1107/S1600536811052718","","","0.71073","MoKα","","0.0464","0.0407","","","0.1054","0.1088","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233084","7.5839","0.0002","10.2443","0.0003","10.4651","0.0003","79.424","0.001","75.652","0.001","80.361","0.001","767.94","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Fluorophenylsulfonyl)-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H12 F I O3 S -","- C16 H12 F I O3 S -","- C32 H24 F2 I2 O6 S2 -","2","1","BH2405","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-(4-Fluorophenylsulfonyl)-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","1","o96","","10.1107/S1600536811052792","","","0.71073","MoKα","","0.0236","0.0222","","","0.0563","0.0572","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233085","8.032","0.006","7.372","0.005","14.475","0.01","90","","93.533","0.007","90","","855.5","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-Chloro-N-[(Z)-3-(3-chloro-2-methylphenylimino)butan- 2-ylidene]-2-methylaniline","","- C18 H18 Cl2 N2 -","- C18 H18 Cl2 N2 -","- C36 H36 Cl4 N4 -","2","0.5","BQ2319","Yuan, Jianchao; Xu, Weibing; Mei, Tongjian; Liu, Yufeng; Wang, Xuehu","(Z)-3-Chloro-N-[(Z)-3-(3-chloro-2-methylphenylimino)butan-2-ylidene]-2-methylaniline","Acta Crystallographica Section E","2012","68","1","o62","","10.1107/S1600536811052044","","","0.71073","MoKα","","0.0569","0.0391","","","0.0965","0.1145","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233086","8.1082","0.0008","19.5189","0.0017","9.2943","0.0009","90","","111.957","0.011","90","","1364.2","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-N-(2,3-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","BQ2325","Rodrigues, Vinola Z.; Kameníček, Jiří; Gowda, B. Thimme; Kožíšek, Jozef","4-Chloro-N-(2,3-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","1","o202","","10.1107/S1600536811053256","","","0.71073","MoKα","","0.0781","0.049","","","0.1279","0.1452","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233087","8.2114","0.0016","8.891","0.0018","9.0105","0.0018","66.188","0.004","77.23","0.004","66.885","0.004","551.99","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(acridine-κN)dichloridopalladium(II)","","- C26 H18 Cl2 N2 Pd -","- C26 H18 Cl2 N2 Pd -","- C26 H18 Cl2 N2 Pd -","1","0.5","BQ2326","Ha, Kwang","trans-Bis(acridine-κN)dichloridopalladium(II)","Acta Crystallographica Section E","2012","68","1","m54","","10.1107/S1600536811053335","","","0.71073","MoKα","","0.0827","0.0588","","","0.0947","0.107","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233088","3.9681","0.0002","14.3029","0.0003","19.21","0.0005","90","","90","","90","","1090.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C52 H32 N8 O8 -","4","1","BQ2327","Tuncer, Hülya; Görgülü, Ahmet Orhan; Hökelek, Tuncer","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","1","o153","","10.1107/S1600536811053669","","","0.71073","MoKα","","0.0937","0.048","","","0.1006","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233089","16.886","0.003","7.6022","0.0015","18.07","0.004","90","","90","","90","","2319.7","0.8","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridinium-2-carboxylato-κ^2^O:O')bis[triaqua(sulfato-κO)manganese(II)]","","- C12 H22 Mn2 N2 O18 S2 -","- C12 H22 Mn2 N2 O18 S2 -","- C48 H88 Mn8 N8 O72 S8 -","4","0.5","BQ2328","Rasekh, Hossein Ali; Bahrami, Bohlul","Bis(μ-pyridinium-2-carboxylato-κ^2^O:O')bis[triaqua(sulfato-κO)manganese(II)]","Acta Crystallographica Section E","2012","68","1","m88","","10.1107/S1600536811054596","","","0.71073","MoKα","","0.0459","0.0278","","","0.0508","0.0753","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233090","11.259","0.004","12.815","0.004","8.565","0.003","90","","100.382","0.005","90","","1215.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3a,11b-Dihydroxy-3a,11b-dihydro-1H-imidazo[4,5- f][1,10]phenanthroline-2(3H)-thione","2,6-dihydroxy-11,14-diazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),7(12),8,10,14,16-hexaene-4-thione","","- C13 H10 N4 O2 S -","- C13 H10 N4 O2 S -","- C52 H40 N16 O8 S4 -","4","1","BQ2329","Wang, Hua; Mei, Peng; Chu, Wen-Yi; Sun, Zhi-Zhong; Hou, Yan-Jun","3a,11b-Dihydroxy-3a,11b-dihydro-1H-imidazo[4,5-f][1,10]phenanthroline-2(3H)-thione","Acta Crystallographica Section E","2012","68","1","o208","","10.1107/S1600536811053967","","","0.71073","MoKα","","0.1623","0.0612","","","0.1207","0.1613","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233091","8.9242","0.0018","11.461","0.002","9.889","0.002","90","","110.77","0.03","90","","945.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5-Methoxy-1H-indol-3-yl)acetonitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","BT5708","Ge, Yu-Hua; Li, Jin-Feng; Luo, Yang-Hui","(5-Methoxy-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o66","","10.1107/S1600536811051762","","","0.71073","MoKα","","0.1224","0.0635","","","0.1376","0.1622","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233092","6.0708","0.0004","24.2124","0.0015","7.4232","0.0006","90","","100.508","0.007","90","","1072.83","0.13","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide","","- C11 H11 F3 N2 O -","- C11 H11 F3 N2 O -","- C44 H44 F12 N8 O4 -","4","1","BT5716","Pei, Shuchen; Li, Jie; Qu, Boyi; Hai, Li; Wu, Yong","N-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide","Acta Crystallographica Section E","2012","68","1","o12","","10.1107/S1600536811051385","","","0.7107","MoKα","","0.0899","0.0544","","","0.1285","0.1508","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233093","13.6978","0.0011","16.0688","0.0012","9.6354","0.0008","90","","92.696","0.001","90","","2118.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate hydrate","","- C24 H17.5 N3 O7.25 -","- C24 H17.5 N3 O7.25 -","- C96 H70 N12 O29 -","4","1","BT5723","Li, Yaping; Zang, Hu; Su, Guanfang","2',6'-Bis(4-carboxyphenyl)-4,4'-bipyridin-1-ium nitrate 0.25-hydrate","Acta Crystallographica Section E","2012","68","1","o43","","10.1107/S1600536811051506","","","0.71073","MoKα","","0.0861","0.05","","","0.1265","0.1503","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233094","8.2841","0.0004","13.8442","0.0007","17.8243","0.0009","90","","97.822","0.001","90","","2025.19","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Bis(2,2'-bipyrimidine- κ^2^N^1^,N^1'^)diiodidomanganese(II)","","- C16 H12 I2 Mn N8 -","- C16 H12 I2 Mn N8 -","- C64 H48 I8 Mn4 N32 -","4","0.5","BT5729","Ha, Kwang","cis-Bis(2,2'-bipyrimidine-κ^2^N^1^,N^1'^)diiodidomanganese(II)","Acta Crystallographica Section E","2012","68","1","m1","","10.1107/S160053681105080X","","","0.71073","MoKα","","0.0447","0.0265","","","0.0512","0.0644","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233095","6.9853","0.0003","17.5355","0.0006","8.4092","0.0004","90","","93.017","0.003","90","","1028.62","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis(ethylenediamine-κ^2^N,N')bis(6-methyl-2,2,4- trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κN)copper(II)","","- C12 H24 Cu N6 O8 S2 -","- C12 H24 Cu N6 O8 S2 -","- C24 H48 Cu2 N12 O16 S4 -","2","0.5","BT5731","Dege, Necmi; Demirtaş, Güneş; Içbudak, Hasan","trans-Bis(ethylenediamine-κ^2^N,N')bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ^6^,3-oxathiazin-3-ido-κN)copper(II)","Acta Crystallographica Section E","2012","68","1","m47","m48","10.1107/S1600536811051658","","","0.71073","MoKα","","0.0277","0.0244","","","0.0637","0.0649","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233096","8.8989","0.0009","9.1711","0.001","14.0804","0.0015","77.023","0.002","86.926","0.002","84.809","0.002","1114.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^N^4^,N^5^]silver hexafluoridophosphate","","- C20 H12 Ag F6 N8 P -","- C20 H12 Ag F6 N8 P -","- C40 H24 Ag2 F12 N16 P2 -","2","1","BT5734","Wang, Zi Jia","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^N^4^,N^5^]silver hexafluoridophosphate","Acta Crystallographica Section E","2012","68","1","m5","","10.1107/S1600536811051403","","","0.71073","MoKα","","0.0399","0.0318","","","0.084","0.0903","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233097","10.4543","0.0003","14.6018","0.0004","14.7266","0.0004","90","","104.043","0.002","90","","2180.85","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4H),3'- pyrrolidine-2',3''-indoline]-2,2''-dione","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","1","BT5735","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","1'-Methyl-4'-(4-methylphenyl)dispiro[1-benzopyran-3(4H),3'-pyrrolidine-2',3''-indoline]-2,2''-dione","Acta Crystallographica Section E","2012","68","1","o11","","10.1107/S1600536811051440","","","0.71073","MoKα","","0.0858","0.0503","","","0.1288","0.1529","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233098","22.687","0.002","5.0673","0.0004","12.755","0.001","90","","100.04","0.01","90","","1443.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Benzoyl-4-nitrobenzenesulfonamide monohydrate","","- C13 H12 N2 O6 S -","- C13 H12 N2 O6 S -","- C52 H48 N8 O24 S4 -","4","1","BT5737","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Vidya, V. M.","N-Benzoyl-4-nitrobenzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o10","","10.1107/S1600536811051439","","","0.71073","MoKα","","0.0785","0.0556","","","0.1001","0.1095","","","","","","1.263","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233099","5.0148","0.0006","12.864","0.002","46.314","0.005","90","","90","","90","","2987.7","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-N-(3-methylbenzoyl)benzenesulfonamide monohydrate","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C112 H112 Cl8 N8 O32 S8 -","8","1","BT5739","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","4-Chloro-N-(3-methylbenzoyl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o46","","10.1107/S1600536811051932","","","0.71073","MoKα","","0.1434","0.1045","","","0.1718","0.185","","","","","","1.352","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233100","8.9795","0.0005","10.159","0.0005","25.105","0.0013","90","","90","","90","","2290.1","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-Chlorophenyl)-2-{[N-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}prop-2-enenitrile","","- C24 H19 Cl N2 O3 S -","- C24 H19 Cl N2 O3 S -","- C96 H76 Cl4 N8 O12 S4 -","4","1","BT5740","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(Z)-3-(4-Chlorophenyl)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","Acta Crystallographica Section E","2012","68","1","o56","o57","10.1107/S160053681105241X","","","0.71073","MoKα","","0.0679","0.0409","","","0.0979","0.1108","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233101","6.7499","0.0002","20.3357","0.0005","17.1671","0.0004","90","","90","","90","","2356.42","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","N-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","3-[(2-chloro-4-nitrophenyl)carbamoyl]prop-2-enoic acid monohydrate","","- C10 H9 Cl N2 O6 -","- C10 H9 Cl N2 O6 -","- C80 H72 Cl8 N16 O48 -","8","","BT5742","Shakuntala, K.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef","N-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","Acta Crystallographica Section E","2012","68","1","o99","o100","10.1107/S1600536811052573","","","0.71073","MoKα","","0.0509","0.0442","","","0.122","0.1281","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233102","21.3744","0.001","6.9762","0.0003","20.3084","0.001","90","","103.361","0.002","90","","2946.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl (Z)-2-[(2,4-dioxothiazolidin-3-yl)methyl]- 3-(2-methylphenyl)prop-2-enoate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","BT5747","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (Z)-2-[(2,4-dioxothiazolidin-3-yl)methyl]-3-(2-methylphenyl)prop-2-enoate","Acta Crystallographica Section E","2012","68","1","o156","o157","10.1107/S1600536811053682","","","0.71073","MoKα","","0.0726","0.0448","","","0.1199","0.135","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233103","10.868","0.002","5.1693","0.0013","13.327","0.003","90","","102.623","0.018","90","","730.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2H-1,3-benzoxazine)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","BT5748","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(3,4-dihydro-2H-1,3-benzoxazine)","Acta Crystallographica Section E","2012","68","1","o148","","10.1107/S1600536811053530","","","1.5418","CuKα","","0.1055","0.067","","","0.1503","0.1706","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233104","6.0666","0.0005","10.09","0.0009","23.747","0.002","90","","90","","90","","1453.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","BT5751","Tebbaa, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","1","o165","","10.1107/S1600536811053712","","","0.71073","MoKα","","0.0798","0.0461","","","0.0982","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233105","9.6541","0.0006","9.5198","0.0011","16.0007","0.0019","90","","97.321","0.007","90","","1458.6","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","BT5752","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-[Imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","1","o170","o171","10.1107/S1600536811053748","","","1.5418","CuKα","","0.0363","0.0323","","","0.0984","0.1015","","","","","","1.84","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233106","14.0658","0.0004","9.599","0.0003","11.2657","0.0003","90","","90","","90","","1521.07","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4S*,E)-tert-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","","- C13 H18 Br2 O3 -","- C13 H18 Br2 O3 -","- C52 H72 Br8 O12 -","4","1","BT5753","Blanco, Magda; Garrido, Narciso M.; Sanz, Francisca; Diez, David","(3S*,4S*,E)-tert-Butyl 3,4-dibromo-5-oxocyclooct-1-enecarboxylate","Acta Crystallographica Section E","2012","68","1","o232","","10.1107/S1600536811053852","","","1.54178","CuKα","","0.0291","0.0289","","","0.0741","0.0746","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233107","11.891","0.002","5.0577","0.0006","23.488","0.003","90","","90.43","0.01","90","","1412.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Chlorobenzoyl)-3-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C52 H36 Cl4 N8 O20 S4 -","4","1","BT5758","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(3-Chlorobenzoyl)-3-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o244","","10.1107/S1600536811054857","","","0.71073","MoKα","","0.0824","0.058","","","0.0947","0.1048","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233108","7.257","0.001","16.023","0.001","21.04","0.002","90","","90","","90","","2446.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(1-methyl-1H-imidazole-κN^3^)zinc bis(tetrafluoridoborate)","","- C16 H24 B2 F8 N8 Zn -","- C16 H24 B2 F8 N8 Zn -","- C64 H96 B8 F32 N32 Zn4 -","4","1","BV2196","Reedijk, Jan; van Albada, Gerard A.; Limburg, Bart; Mutikainen, Ilpo; Turpeinen, Urho","Tetrahedral zinc in tetrakis(1-methyl-1H-imidazole-κN^3^)zinc bis(tetrafluoridoborate)","Acta Crystallographica Section E","2012","68","1","m90","","10.1107/S1600536811054821","","","0.71073","MoKα","","0.0335","0.0267","","","0.0643","0.0683","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233109","11.703","0.002","18.623","0.004","12.477","0.003","90","","106.06","0.03","90","","2613.2","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(1H-Benzimidazol-2-yl)methanaminium perchlorate‒18-crown-6‒water (1/1/1)","(1H-Benzimidazol-2-yl)methanaminium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane‒water (1/1/1)","","- C20 H36 Cl N3 O11 -","- C20 H36 Cl N3 O11 -","- C80 H144 Cl4 N12 O44 -","4","1","BX2375","Sun, Su-Wen","(1H-Benzimidazol-2-yl)methanaminium perchlorate‒18-crown-6‒water (1/1/1)","Acta Crystallographica Section E","2012","68","1","o25","","10.1107/S1600536811050665","","","0.71073","MoKα","","0.1529","0.0759","","","0.1893","0.2361","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233110","8.4914","0.0004","16.1497","0.0006","11.8673","0.0006","90","","102.69","0.005","90","","1587.65","0.13","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","","- C13 H27 I N4 -","- C13 H27 I N4 -","- C52 H108 I4 N16 -","4","1","BX2384","Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide","Acta Crystallographica Section E","2012","68","1","o17","","10.1107/S1600536811050781","","","0.71069","MoKα","","0.0548","0.0343","","","0.0814","0.0859","","","","","","1.23","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233111","15.51","0.003","11.717","0.002","13.014","0.003","90","","90","","90","","2365","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4-Methylanilinium perchlorate‒18-crown-6 (1/1)","4-Methylanilinium perchlorate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C19 H34 Cl N O10 -","- C19 H34 Cl N O10 -","- C76 H136 Cl4 N4 O40 -","4","0.5","CV5196","Wang, Yu-Feng","4-Methylanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","1","o185","","10.1107/S1600536811053992","","","0.71073","MoKα","","0.075","0.052","","","0.12","0.1314","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233112","5.947","0.0004","7.4331","0.0005","26.72","0.002","90","","92.185","0.001","90","","1180.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Hydroxy-N,N,N-trimethyl-3-tetradecyloxypropan-1-aminium bromide","","- C20 H44 Br N O2 -","- C20 H44 Br N O2 -","- C40 H88 Br2 N2 O4 -","2","0.5","CV5198","Wang, Xiuhong; Wei, Xilian; Du, Panpan","2-Hydroxy-N,N,N-trimethyl-3-tetradecyloxypropan-1-aminium bromide","Acta Crystallographica Section E","2012","68","1","o246","","10.1107/S1600536811054651","","","0.71073","MoKα","","0.0836","0.052","","","0.1421","0.154","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233113","18.4108","0.0004","14.8908","0.0003","22.8569","0.0005","90","","105.247","0.003","90","","6045.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN^1^)copper(II) nicotinamide hemisolvate trihydrate","","- C29 H31 Cu F2 N5 O10.5 -","- C29 H31 Cu F2 N5 O10.5 -","- C232 H248 Cu8 F16 N40 O84 -","8","2","CV5200","Necefoğlu, Hacali; Özbek, Füreya Elif; Öztürk, Vijdan; Adıgüzel, Vedat; Hökelek, Tuncer","Aquabis(4-fluorobenzoato-κO)bis(nicotinamide-κN^1^)copper(II) nicotinamide hemisolvate trihydrate","Acta Crystallographica Section E","2012","68","1","m52","m53","10.1107/S1600536811053116","","","0.71073","MoKα","","0.092","0.0627","","","0.1482","0.1596","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233114","6.8527","0.0004","8.6643","0.0005","17.5572","0.0015","90","","90","","90","","1042.44","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5S)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","CV5203","Jiang, Jun-Rong; Xu, Feng; Ke, Zhong-Lu; Li, Li","(5S)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","1","o34","","10.1107/S1600536811051312","","","0.71073","MoKα","","0.0321","0.0281","","","0.062","0.0636","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233115","13.5","0.01","7.571","0.006","16.738","0.012","90","","90","","90","","1711","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-N-[(Z)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]- 2,4-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","0.5","CV5204","Yuan, Jianchao; Miao, Chengping; Xu, Weibing; Yuan, Bingnian","(Z)-N-[(Z)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2012","68","1","o164","","10.1107/S1600536811053244","","","0.71073","MoKα","","0.082","0.0516","","","0.1536","0.1746","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233116","7.078","0.003","29.1953","0.0016","7.3013","0.001","90","","106.521","0.003","90","","1446.5","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Fluoro-N'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","","- C18 H13 F N2 O2 -","- C18 H13 F N2 O2 -","- C72 H52 F4 N8 O8 -","4","1","CV5206","Wang, Dong-Yue; Meng, Xu-Feng; Ma, Jing-Jun","2-Fluoro-N'-[(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o21","","10.1107/S1600536811050896","","","0.71073","MoKα","","0.0798","0.0461","","","0.1108","0.1331","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233117","9.1084","0.001","11.3612","0.0016","11.8249","0.0018","101.006","0.003","93.049","0.003","109.777","0.003","1121.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(1-iminoethyl)phenolato-κ^2^N,O]nickel(II)","","- C16 H16 N2 Ni O2 -","- C16 H16 N2 Ni O2 -","- C48 H48 N6 Ni3 O6 -","3","1.5","CV5207","Wang, Ning","Bis[2-(1-iminoethyl)phenolato-κ^2^N,O]nickel(II)","Acta Crystallographica Section E","2012","68","1","m11","","10.1107/S1600536811051476","","","0.71073","MoKα","","0.136","0.0619","","","0.1164","0.1462","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233118","21.5817","0.0007","11.2676","0.0004","9.5025","0.0003","90","","90","","90","","2310.76","0.13","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","","- C28 H18 O10 -","- C28 H18 O10 -","- C112 H72 O40 -","4","1","CV5208","Zhao, Ningning; Li, Wenjun; Chang, Zhidong; Sun, Changyan; Fan, Hongxia","3,3'-[Biphenyl-4,4'-diylbis(oxy)]diphthalic acid","Acta Crystallographica Section E","2012","68","1","o211","","10.1107/S1600536811053219","","","0.71073","MoKα","","0.0617","0.0478","","","0.1109","0.1175","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233119","8.6517","0.0007","12.1233","0.001","12.6752","0.001","64.045","0.001","88.879","0.001","72.892","0.001","1133.22","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Aqua(3-fluorobenzoato-κO)(3-fluorobenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')cobalt(II)","","- C26 H18 Co F2 N2 O5 -","- C26 H18 Co F2 N2 O5 -","- C52 H36 Co2 F4 N4 O10 -","2","1","CV5209","Wang, Xiao-Hui; Sun, Li-Mei","Aqua(3-fluorobenzoato-κO)(3-fluorobenzoato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')cobalt(II)","Acta Crystallographica Section E","2012","68","1","m16","","10.1107/S1600536811051804","","","0.71073","MoKα","","0.052","0.0379","","","0.0979","0.1045","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233120","10.407","0.002","15.075","0.003","15.766","0.003","88.81","0.03","88.33","0.03","74.17","0.03","2378.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane- κP]platinum(II) acetone monosolvate","","- C45 H72 Cl2 O P2 Pt -","- C45 H72 Cl2 O P2 Pt -","- C90 H144 Cl4 O2 P4 Pt2 -","2","1","CV5210","Vuba, Bubele; Muller, Alfred","trans-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-κP]platinum(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","1","m14","m15","10.1107/S1600536811051841","","","1.54178","CuKα","","0.0305","0.026","","","","0.0669","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233121","9.87","0.002","9.637","0.0019","10.398","0.002","90","","90.18","0.03","90","","989","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzylsulfanyl-1H-1,2,4-triazol-5-amine","","- C9 H10 N4 S -","- C9 H10 N4 S -","- C36 H40 N16 S4 -","4","1","CV5211","Zhang, Shuai; Liu, Pei-Jiang; Ma, Dong-Sheng; Hou, Guang-Feng","3-Benzylsulfanyl-1H-1,2,4-triazol-5-amine","Acta Crystallographica Section E","2012","68","1","o83","","10.1107/S1600536811052159","","","0.71073","MoKα","","0.0868","0.0468","","","0.0972","0.111","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233122","10.066","0.002","6.7887","0.0014","11.05","0.002","90","","99.3","0.03","90","","745.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethane-1,2-diaminium (R)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C26 H40 N4 O12 -","2","1","CV5213","Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","Ethane-1,2-diaminium (R)-2-[4-(1-carboxylatoethoxy)phenoxy]acetate","Acta Crystallographica Section E","2012","68","1","o223","","10.1107/S1600536811054535","","","0.71073","MoKα","","0.1247","0.0662","","","0.15","0.1764","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233123","11.88","0.007","8.332","0.005","9.681","0.006","90","","90","","90","","958.3","1","273","2","273","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","","- C10 H16 Cu K3 N2 O12 P -","- C10 H16 Cu K3 N2 O12 P -","- C20 H32 Cu2 K6 N4 O24 P2 -","2","0.5","CV5214","Liu, Liyan; Zhang, Rui; Fan, Ping; Yu, Zhan; Zhang, Xiangdong","Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m73","","10.1107/S1600536811053608","","","0.71073","MoKα","","0.0293","0.0252","","","0.0625","0.0645","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233124","8.427","0.003","10.439","0.004","15.724","0.006","90","","90","","90","","1383.2","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-N'-[(E)-3-Phenylallylidene]benzohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","CV5216","Deng, Gui-Ming; Chen, Zhen; Wang, Chao-Run; Zhang, He-Ming","(E)-N'-[(E)-3-Phenylallylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","1","o160","","10.1107/S1600536811053645","","","0.71073","MoKα","","0.1009","0.0406","","","0.0779","0.0957","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233125","8.3909","0.0001","8.8277","0.0002","11.5025","0.0002","110.218","0.001","102.529","0.001","99.101","0.001","754.78","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-(2-hydroxyethyl)-2-[2-(methylsulfanyl)ethyl]- 1H-benzimidazole-5-carboxylate","","- C15 H20 N2 O3 S -","- C15 H20 N2 O3 S -","- C30 H40 N4 O6 S2 -","2","1","CV5217","Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","Ethyl 1-(2-hydroxyethyl)-2-[2-(methylsulfanyl)ethyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o197","o198","10.1107/S160053681105389X","","","0.71073","MoKα","","0.045","0.0365","","","0.0811","0.0864","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233126","11.1371","0.0004","4.8523","0.00017","21.5198","0.0008","90","","90.142","0.003","90","","1162.94","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-N-(2-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","DS2157","Rodrigues, Vinola Z.; Herich, Peter; Gowda, B. Thimme; Kožíšek, Jozef","3-Chloro-N-(2-chlorophenyl)benzamide","Acta Crystallographica Section E","2012","68","1","o49","","10.1107/S1600536811051944","","","0.71073","MoKα","","0.0541","0.0382","","","0.1122","0.1179","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233127","7.4088","0.0003","19.1779","0.0006","9.9784","0.0004","90","","98.2825","0.0015","90","","1403","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Aminopyridinium 2-methoxycarbonyl-4,6-dinitrophenolate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","EZ2268","Wu, Dong-Liang; Xiao, Zi-Jing","2-Aminopyridinium 2-methoxycarbonyl-4,6-dinitrophenolate","Acta Crystallographica Section E","2012","68","1","o124","o125","10.1107/S160053681105286X","","","0.71073","MoKα","","0.0445","0.0397","","","0.1081","0.111","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233128","10.004","0.002","8.8311","0.0018","11.183","0.002","90","","92.79","0.03","90","","986.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-hydroxypropanaminium) naphthalene-1,5-disulfonate","","- C16 H26 N2 O8 S2 -","- C16 H26 N2 O8 S2 -","- C32 H52 N4 O16 S4 -","2","0.5","EZ2272","Jin, Yu","Bis(3-hydroxypropanaminium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","1","o212","","10.1107/S1600536811053141","","","0.71073","MoKα","","0.0562","0.0539","","","0.1542","0.156","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233129","11.6158","0.0011","15.9119","0.0016","19.302","0.002","90","","90","","90","","3567.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl]oxy}acetate","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C152 H136 Cl8 N16 O24 -","8","1","EZ2274","Yang, Xiao-Li","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o123","","10.1107/S1600536811052937","","","0.71073","MoKα","","0.1139","0.0551","","","0.0812","0.0934","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233130","14.0652","0.001","9.6485","0.0007","33.345","0.002","90","","93.65","0.001","90","","4516","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pentaaqua(5-carboxypyridine-2-carboxylato-κ^2^N,O^2^)(pyridine- 2,5-dicarboxylato-κ^2^N,O^2^)cerium(III) tetrahydrate","","- C14 H25 Ce N2 O17 -","- C14 H25 Ce N2 O17 -","- C112 H200 Ce8 N16 O136 -","8","1","EZ2275","Ma, Ning; Zhang, Tong; Yang, Guang-Rui","Pentaaqua(5-carboxypyridine-2-carboxylato-κ^2^N,O^2^)(pyridine-2,5-dicarboxylato-κ^2^N,O^2^)cerium(III) tetrahydrate","Acta Crystallographica Section E","2012","68","1","m41","m42","10.1107/S1600536811052688","","","0.71073","MoKα","","0.0235","0.021","","","0.0484","0.0495","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233131","16.861","0.003","11.317","0.002","9.6484","0.0019","90","","98.94","0.03","90","","1818.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[2-(tert-butoxycarbonylamino)-1,3-benzothiazole-6-carboxamido]acetate","","- C16 H19 N3 O5 S -","- C16 H19 N3 O5 S -","- C64 H76 N12 O20 S4 -","4","1","FF2042","Gao, Dan; Fang, Xing; Yu, Hai-Yang; Wang, Jun-Dong","Methyl 2-[2-(tert-butoxycarbonylamino)-1,3-benzothiazole-6-carboxamido]acetate","Acta Crystallographica Section E","2012","68","1","o115","","10.1107/S1600536811052421","","","0.71073","MoKα","","0.0943","0.0834","","","0.1737","0.1795","","","","","","1.258","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233132","11.7552","0.0009","5.9139","0.0004","13.8789","0.0011","90","","109.023","0.009","90","","912.16","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2- dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","","- C19 H24 Cl N O5 -","- C19 H24 Cl N O5 -","- C38 H48 Cl2 N2 O10 -","2","1","FF2045","Börding, Sandra; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","1","o169","","10.1107/S1600536811053840","","","0.71073","MoKα","","0.0653","0.039","","","0.0447","0.0469","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233133","11.616","0.003","12.962","0.003","12.99","0.003","83.62","0.011","85.632","0.011","64.647","0.006","1755.6","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","9-[(E)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]- 9H-carbazole","","- C20 H22 B N O2 -","- C20 H22 B N O2 -","- C80 H88 B4 N4 O8 -","4","2","FF2046","Hatayama, Yuki; Okuno, Tsunehisa","9-[(E)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9H-carbazole","Acta Crystallographica Section E","2012","68","1","o84","","10.1107/S1600536811052470","","","0.71075","MoKα","","","0.0525","","","","0.1365","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233134","8.0785","0.0007","8.7261","0.0006","26.2616","0.0017","90","","90.829","0.003","90","","1851.1","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","FF2047","Cha, Joo Hwan; Kim, Young Hee; Lee, Jae Kyun; Cho, Yong Seo","(E)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","1","o245","","10.1107/S1600536811054730","","","0.71075","MoKα","","","0.0452","","","","0.156","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233135","16.734","0.0004","8.829","0.0002","13.0178","0.0003","90","","105.197","0.001","90","","1856.05","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O2 S -","- C21 H21 Br O2 S -","- C84 H84 Br4 O8 S4 -","4","1","FF2048","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","1","o205","","10.1107/S1600536811054158","","","0.71073","MoKα","","0.0582","0.0374","","","0.0886","0.0973","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233136","9.4131","0.0017","8.194","0.0015","9.3987","0.0017","90","","99.651","0.003","90","","714.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diammonium diaquabis(phosphato)triferrate(II)","","- Fe3 H12 N2 O16 P4 -","- Fe3 H12 N2 O16 P4 -","- Fe6 H24 N4 O32 P8 -","2","0.5","FI2119","Liu, Biao; Zhang, Xin; Wen, Lei; Sun, Wei; Huang, Ya-Xi","An ammonium iron(II) pyrophosphate, (NH~4~)~2~[Fe~3~(P~2~O~7~)~2~(H~2~O)~2~], with a layered structure","Acta Crystallographica Section E","2012","68","1","i5","i6","10.1107/S1600536811052482","","","0.71073","MoKα","","0.0485","0.0399","","","0.0815","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233137","22.6222","0.0009","6.0675","0.0002","4.7005","0.0002","90","","90","","90","","645.19","0.04","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-Aminophenyl)methanol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","FJ2480","Zipp, Caitlin F.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","(2-Aminophenyl)methanol","Acta Crystallographica Section E","2012","68","1","o174","","10.1107/S1600536811053657","","","0.71073","MoKα","","0.0317","0.03","","","0.0742","0.0754","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233138","8.925","0.0003","9","0.0003","10.5066","0.0003","75.648","0.002","67.124","0.002","67.126","0.002","711.75","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[{μ~3~-dihydrogen [(pyridin-4-ylmethylimino)bis(methylene)]diphosphonato- κ^5^O:O',N,O'':N'}copper(II)] dihydrate]","","- C8 H16 Cu N2 O8 P2 -","- C8 H16 Cu N2 O8 P2 -","- C16 H32 Cu2 N4 O16 P4 -","2","1","FJ2483","Zhang, Shi-Yong; Zhou, Zhong-Gao; Wang, Ke-Jun","Poly[[{μ~3~-dihydrogen [(pyridin-4-ylmethylimino)bis(methylene)]diphosphonato-κ^5^O:O',N,O'':N'}copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","1","m38","m39","10.1107/S1600536811052512","","","0.71073","MoKα","","0.0723","0.0459","","","0.1062","0.1182","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233139","9.0604","0.0009","14.3239","0.0014","17.9617","0.0018","90","","90","","90","","2331.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","","- C26 H22 P2 Se2 -","- C26 H22 P2 Se2 -","- C104 H88 P8 Se8 -","4","1","FJ2485","Phasha, Zanele; Makhoba, Sizwe; Muller, Alfred","trans-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","Acta Crystallographica Section E","2012","68","1","o44","","10.1107/S160053681105183X","","","0.71073","MoKα","","0.0295","0.0251","","","","0.0533","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233140","12.2787","0.0005","5.6264","0.0002","17.2874","0.0008","90","","105.833","0.002","90","","1148.99","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(E)-(4-Fluorobenzylidene)amino]benzoic acid","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C56 H40 F4 N4 O8 -","4","1","FJ2486","Muñoz-Flores, Blanca M.; Pérez, Víctor M. Jiménez; Santillan, Rosa L.; Ochoa, Maria Eugenia; Waksman, Noemi","4-[(E)-(4-Fluorobenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","1","o175","","10.1107/S1600536811052275","","","0.71073","MoKα","","0.1171","0.0623","","","0.154","0.1909","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233141","15.6767","0.0006","5.9655","0.0002","14.4589","0.0004","90","","102.961","0.001","90","","1317.74","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[(Hydroxy)(4-methylphenyl)methylidene]isochroman-1,3-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","FJ2488","Abou, Akoun; Djandé, Abdoulaye; Saba, Adama; Chiavassa, Thierry; Kakou-Yao, Rita","4-[(Hydroxy)(4-methylphenyl)methylidene]isochroman-1,3-dione","Acta Crystallographica Section E","2012","68","1","o3","","10.1107/S1600536811050975","","","0.71073","MoKα","","0.0734","0.0573","","","0.1388","0.15","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233142","7.5161","0.0015","10.921","0.002","14.45","0.003","79.43","0.03","80.13","0.03","71.25","0.03","1096","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^N,N')cobalt(III) aquatris(oxalato-κ^2^O^1^,O^2^)indate(III)","","- C12 H26 Co In N6 O13 -","- C12 H26 Co In N6 O13 -","- C24 H52 Co2 In2 N12 O26 -","2","1","FJ2490","Zhang, Zhe; Wang, Fuxiang; Liao, Shuangquan","Tris(ethylenediamine-κ^2^N,N')cobalt(III) aquatris(oxalato-κ^2^O^1^,O^2^)indate(III)","Acta Crystallographica Section E","2012","68","1","m65","m66","10.1107/S1600536811053736","","","0.71073","MoKα","","0.0577","0.0476","","","0.1138","0.1192","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233143","12.4662","0.0004","17.7213","0.0005","7.4352","0.0002","90","","96.658","0.002","90","","1631.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3,5-dinitrobenzamido)benzoate","","- C16 H13 N3 O7 -","- C16 H13 N3 O7 -","- C64 H52 N12 O28 -","4","1","FK2047","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","Ethyl 2-(3,5-dinitrobenzamido)benzoate","Acta Crystallographica Section E","2012","68","1","o129","","10.1107/S1600536811053074","","","0.71073","MoKα","","0.0765","0.0487","","","0.1282","0.1739","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233144","17.669","0.005","3.911","0.0011","18.38","0.005","90","","108.177","0.004","90","","1206.7","0.6","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","","","- C9 H4 S7 -","- C9 H4 S7 -","- C36 H16 S28 -","4","2","FY2030","Ueda, Kazumasa; Suzuki, Kenta; Kunimoto, Kei; Yoza, Kenji","2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione","Acta Crystallographica Section E","2012","68","1","o52","","10.1107/S1600536811051518","","","0.71073","MoKα","","0.1058","0.0609","","","0.0926","0.1072","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233145","13.5134","0.0012","8.6952","0.0008","22.3532","0.0019","90","","99.413","0.001","90","","2591.2","0.4","185","2","185","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine","","- C32 H32 N2 -","- C32 H32 N2 -","- C128 H128 N8 -","4","0.5","FY2033","Wang, Li; Luo, Xuyang; Gao, Bo; Wu, Qiaolin; Mu, Ying","N,N'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine","Acta Crystallographica Section E","2012","68","1","o128","","10.1107/S1600536811052901","","","0.71073","MoKα","","0.0762","0.053","","","0.1358","0.1506","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233146","22.994","0.014","8.676","0.005","18.652","0.018","90","","124.084","0.004","90","","3082","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-N-{(E)-2-[(3,5-Dimethylbiphenyl-4- yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline","","- C40 H32 N2 -","- C40 H32 N2 -","- C160 H128 N8 -","4","0.5","FY2034","Yuan, Jianchao; Xie, Xiaoli; Liu, Yufeng; Miao, Chengping; Li, Jing","(E)-N-{(E)-2-[(3,5-Dimethylbiphenyl-4-yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline","Acta Crystallographica Section E","2012","68","1","o210","","10.1107/S1600536811054092","","","0.71073","MoKα","","0.114","0.0591","","","0.1613","0.2114","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233147","13.326","0.0004","5.794","0.0001","24.2246","0.0006","90","","121.546","0.001","90","","1593.99","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-({[4-(1,3-Benzothiazol-2-yl)phenyl]amino}methyl)phenol","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","GG2063","Potgieter, Kim; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-({[4-(1,3-Benzothiazol-2-yl)phenyl]amino}methyl)phenol","Acta Crystallographica Section E","2012","68","1","o27","","10.1107/S1600536811051580","","","0.71069","MoKα","","0.0453","0.0334","","","0.0842","0.0921","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233148","9.689","0.008","7.44","0.006","35.53","0.03","90","","90","","90","","2561","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(E)-2-Phenylethenyl]-1H-indole-6-carbonitrile","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","1","GG2065","Ge, Yu-Hua; Wu, Dong-En; Luo, Yang-Hui","3-[(E)-2-Phenylethenyl]-1H-indole-6-carbonitrile","Acta Crystallographica Section E","2012","68","1","o207","","10.1107/S1600536811054225","","","0.71073","MoKα","","0.0514","0.0383","","","0.1066","0.1269","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233149","23.6271","0.0016","11.2942","0.0006","8.2359","0.0007","90","","109.538","0.008","90","","2071.2","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis(3-phenoxybenzylidene)hydrazine","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","0.5","GG2067","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S.","1,2-Bis(3-phenoxybenzylidene)hydrazine","Acta Crystallographica Section E","2012","68","1","o81","","10.1107/S1600536811052469","","","0.71073","MoKα","","0.0776","0.0495","","","0.1182","0.1437","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233150","6.4773","0.0003","7.3091","0.0003","12.4758","0.0004","88.996","0.003","77.214","0.003","79.925","0.003","566.98","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride","","- C9 H12 Cl2 N4 -","- C9 H12 Cl2 N4 -","- C18 H24 Cl4 N8 -","2","1","GG2070","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Deshmukh, Madhukar B.; Shripanavar, Chetan S.","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride","Acta Crystallographica Section E","2012","68","1","o147","","10.1107/S1600536811053487","","","0.71073","MoKα","","0.05","0.0411","","","0.1002","0.1075","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233151","5.9354","0.0001","13.3091","0.0002","22.1511","0.0003","90","","90","","90","","1749.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8- azabicyclo[3.2.1]octan-3-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","GK2429","Brzezinski, Krzysztof; Lazny, Ryszard; Sienkiewicz, Michal; Wojtulewski, Sławomir; Dauter, Zbigniew","(2R)-8-Benzyl-2-[(S)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2012","68","1","o149","o150","10.1107/S1600536811053190","","","1.5418","CuKα","","0.0272","0.0268","","","0.07","0.0703","","","","","","1.177","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233152","7.9325","0.0016","17.931","0.004","19.575","0.004","90","","93.37","0.03","90","","2779.5","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-Methylanilinium hydrogen phthalate","3-methylanilinium 2-carboxybenzoate","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C120 H120 N8 O32 -","8","2","GK2431","Liu, Ming-Liang","3-Methylanilinium hydrogen phthalate","Acta Crystallographica Section E","2012","68","1","o228","","10.1107/S1600536811054353","","","0.71073","MoKα","","0.1484","0.066","","","0.1365","0.1651","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233153","6.7302","0.0002","18.8959","0.0005","8.7242","0.0002","90","","95.916","0.002","90","","1103.58","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(O-ethyl dithiocarbonato-κ^2^S,S')bis(pyridine-3-carbonitrile- κN^1^)nickel(II)","","- C18 H18 N4 Ni O2 S4 -","- C18 H18 N4 Ni O2 S4 -","- C36 H36 N8 Ni2 O4 S8 -","2","0.5","GK2438","Kapoor, Sanjay; Kour, Ramandeep; Sachar, Renu; Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini","Bis(O-ethyl dithiocarbonato-κ^2^S,S')bis(pyridine-3-carbonitrile-κN^1^)nickel(II)","Acta Crystallographica Section E","2012","68","1","m58","","10.1107/S1600536811053475","","","0.71073","MoKα","","0.0305","0.0253","","","0.0569","0.0604","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233154","3.8721","0.0004","5.8068","0.0006","17.3721","0.0018","95.563","0.009","94.918","0.008","104.657","0.009","373.64","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","Methyl 6-chloronicotinate","methyl 6-chloropyridine-3-carboxylate","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C14 H12 Cl2 N2 O4 -","2","1","GK2439","Xu, Yong; Yang, Ling-Ling; Yang, Sheng-Yong; Liu, Jie","Methyl 6-chloronicotinate","Acta Crystallographica Section E","2012","68","1","o162","","10.1107/S1600536811053517","","","0.7107","MoKα","","0.1131","0.055","","","0.0966","0.1193","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233155","10.3666","0.0004","14.6008","0.0005","7.824","0.0003","90","","98.446","0.004","90","","1171.4","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(Pyrrolidin-1-ylcarbothioyl)benzamide","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","GK2440","Al-abbasi, Aisha A.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","N-(Pyrrolidin-1-ylcarbothioyl)benzamide","Acta Crystallographica Section E","2012","68","1","o201","","10.1107/S1600536811053694","","","1.54178","CuKα","","0.0413","0.0352","","","0.0934","0.0984","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233156","5.7575","0.0006","11.3547","0.0012","28.554","0.003","90","","94.442","0.008","90","","1861.1","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone","","- C22 H21 Cl O2 -","- C22 H21 Cl O2 -","- C88 H84 Cl4 O8 -","4","1","GO2037","Lee, Jae Kyun; Chavre, Satish N.; Cho, Yong Seo; Lee, Yeonhee; Cha, Joo Hwan","[2-(4-Chlorophenyl)-5-phenyloxolan-3-yl](cyclopentenyl)methanone","Acta Crystallographica Section E","2012","68","1","o45","","10.1107/S1600536811051993","","","1.54187","CuKα","","","0.0507","","","","0.1392","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233157","8.5137","0.0017","6.121","0.0012","18.283","0.004","90","","99.34","0.03","90","","940.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(hydroxymethyl)methanaminium trifluoroacetate","","- C6 H12 F3 N O5 -","- C6 H12 F3 N O5 -","- C24 H48 F12 N4 O20 -","4","1","GO2038","Liu, Ming-Liang","Tris(hydroxymethyl)methanaminium trifluoroacetate","Acta Crystallographica Section E","2012","68","1","o60","","10.1107/S1600536811052226","","","0.71073","MoKα","","0.0735","0.061","","","0.1472","0.1553","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233158","8.2265","0.0001","33.0103","0.0002","10.0322","0.0005","90","","90","","90","","2724.34","0.14","119.9","0.2","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","6,6'-Di-tert-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate","","- C28 H42.38 N2 O4.19 -","- C28 H42.37 N2 O4.185 -","- C112 H169.48 N8 O16.74 -","4","0.5","GO2039","Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6,6'-Di-tert-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate","Acta Crystallographica Section E","2012","68","1","o191","o192","10.1107/S1600536811053542","","","1.5418","CuKα","","0.0363","0.035","","","0.1205","0.1219","","","","","","2.64","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2233159","16.223","0.001","16.223","0.001","4.813","0.0003","90","","90","","120","","1097.01","0.12","173","2","173","2","","","","","","","","4","P 32","P 32","145","","(S)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","","- C18 H16 N2 S -","- C18 H16 N2 S -","- C54 H48 N6 S3 -","3","1","GW2110","Pawar, Sunayna; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(S)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","1","o176","","10.1107/S1600536811052585","","","0.71073","MoKα","","0.0436","0.0352","","","0.0811","0.0843","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233160","12.0056","0.0016","19.283","0.003","20.183","0.003","90","","90","","90","","4672.4","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-(4-tert-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl- 1H-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C192 H232 N24 O16 -","8","1","HB6506","Yang, Guiqiu; Wang, Yang; Yu, Haibo","(E)-2-(4-tert-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl-1H-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","1","o64","","10.1107/S1600536811052007","","","0.71073","MoKα","","0.0719","0.0482","","","0.1303","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233161","14.2557","0.0019","9.3705","0.0013","15.278","0.002","90","","106.601","0.002","90","","1955.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethoxy-11-methyl-17,19-dioxa-11- azatetracyclo[12.7.0.0^4,9^.0^16,20^]henicosa-1(21),4,6,8,14,16(20)-hexaen-2-ol","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","HB6507","Sun, Wenwen; Qin, Yuyan; Hou, Zhe; Yao, Yao; Zhou, Le","Dihydroallocryptopine","Acta Crystallographica Section E","2012","68","1","o69","","10.1107/S1600536811052172","","","0.71073","MoKα","","0.0569","0.0412","","","0.0994","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233162","15.023","0.008","5.871","0.003","16.867","0.009","90","","113.721","0.006","90","","1362","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(5-methoxy-1H-indol-3-yl)benzoate","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","HB6526","Wang, Cui-Ping; Yu, Jiang-Long; Zhang, Zhi-Qiang; Yan, Jing-Bo","Methyl 4-(5-methoxy-1H-indol-3-yl)benzoate","Acta Crystallographica Section E","2012","68","1","o133","","10.1107/S1600536811052135","","","0.71073","MoKα","","0.0452","0.0367","","","0.1017","0.1097","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233163","10.603","0.002","9.633","0.0019","32.595","0.007","90","","95.6","0.03","90","","3313.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C152 H176 N16 O8 -","8","2","HB6532","Fang, Rui-Qin; Xiao, Zhu-Ping; Zuo, Yun","(E)-2-[(1-Benzylpiperidin-4-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","1","o85","","10.1107/S160053681105197X","","","0.71073","MoKα","","0.1957","0.0815","","","0.2139","0.2679","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233164","6.9475","0.0008","18.596","0.002","17.559","0.002","90","","93.658","0.002","90","","2263.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetramethyl- 2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione","","- C26 H25 F O5 -","- C26 H25 F O5 -","- C104 H100 F4 O20 -","4","1","HB6535","Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Fun, Hoong-Kun; Arshad, Suhana","9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","1","o38","","10.1107/S1600536811051749","","","0.71073","MoKα","","0.085","0.0518","","","0.1304","0.1501","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233165","9.907","0.003","6.793","0.002","22.279","0.003","90","","94.886","0.002","90","","1493.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2- hydroxyethylamino)ethylimino]methyl}phenolato- κ^3^N,N',O^1^)oxidovanadium(V)]","","- C26 H38 N4 O10 V2 -","- C26 H38 N4 O10 V2 -","- C52 H76 N8 O20 V4 -","2","0.5","HB6538","Wang, Fu-Ming","Di-μ-oxido-bis[(2-ethoxy-6-{[2-(2-hydroxyethylamino)ethylimino]methyl}phenolato-κ^3^N,N',O^1^)oxidovanadium(V)]","Acta Crystallographica Section E","2012","68","1","m26","m27","10.1107/S160053681105094X","","","0.71073","MoKα","","0.0721","0.0554","","","0.159","0.1716","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233166","22.864","0.005","16.6","0.003","13.335","0.003","90","","90","","90","","5061.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-4-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C240 H160 Cl16 N16 O32 -","16","2","HB6540","Wang, De Cai; Leng, Bo Rong; Wang, Gui Bin; Wei, Ping; Ou-yang, Ping Kai","1-Benzyl-4-chloroindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o37","","10.1107/S1600536811051816","","","0.71073","MoKα","","0.171","0.0642","","","0.096","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233167","5.4573","0.0011","9.823","0.002","9.94","0.002","73.9","0.03","78.57","0.03","80.4","0.03","498.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Carboxymethyl-1H-indole-4-carboxylic acid","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C22 H18 N2 O8 -","2","1","HB6541","Mao, Shulin","3-Carboxymethyl-1H-indole-4-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o146","","10.1107/S1600536811051865","","","0.71073","MoKα","","0.0599","0.0461","","","0.1216","0.1315","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233168","9.3974","0.0006","5.5167","0.0004","20.0654","0.0013","90","","95.264","0.001","90","","1035.86","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-chloropyrimidin-1-ium hydrogen maleate","","- C8 H8 Cl N3 O4 -","- C8 H8 Cl N3 O4 -","- C32 H32 Cl4 N12 O16 -","4","1","HB6543","Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam","2-Amino-5-chloropyrimidin-1-ium hydrogen maleate","Acta Crystallographica Section E","2012","68","1","o108","","10.1107/S1600536811051646","","","0.71073","MoKα","","0.0498","0.0377","","","0.1005","0.1094","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233169","9.3125","0.0001","10.0941","0.0001","12.9955","0.0002","91.958","0.001","107.752","0.001","114.465","0.001","1040.67","0.03","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1H-benzimidazole-5-carboxylate","","- C23 H24 N4 O5 -","- C23 H24 N4 O5 -","- C46 H48 N8 O10 -","2","1","HB6545","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-nitrophenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o59","","10.1107/S1600536811052408","","","0.71073","MoKα","","0.0975","0.0694","","","0.1764","0.1971","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233170","6.9962","0.0014","8.9445","0.0018","15.406","0.003","90","","97.97","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(7-Methyl-1H-indol-3-yl)acetonitrile","","- C11 H10 N2 -","- C11 H10 N2 -","- C44 H40 N8 -","4","1","HB6546","Ge, Yu-Hua; Pan, Mei-Ling; Xu, Jian; Luo, Yang-Hui","2-(7-Methyl-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o141","","10.1107/S1600536811053396","","","0.71073","MoKα","","0.0891","0.0546","","","0.136","0.1535","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233171","8.3182","0.0017","13.062","0.003","9.3867","0.0019","90","","101.53","0.03","90","","999.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxy-1H-indol-3-yl)acetonitrile","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","HB6547","Lu, Yong-Hong; Pan, Mei-Ling; Luo, Yang-Hui","2-(4-Methoxy-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o143","","10.1107/S1600536811053360","","","0.71073","MoKα","","0.1322","0.0884","","","0.2619","0.2975","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233172","4.4176","0.0009","11.073","0.002","16.014","0.003","90","","96.63","0.03","90","","778.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluoro-1H-indole-3-carboxylic acid","","- C9 H6 F N O2 -","- C9 H6 F N O2 -","- C36 H24 F4 N4 O8 -","4","1","HB6548","Lu, Wen-Jun; Zou, Zhi-Hong; Luo, Yang-Hui","5-Fluoro-1H-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o187","","10.1107/S1600536811053426","","","0.71073","MoKα","","0.095","0.0539","","","0.1188","0.1366","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233173","24.951","0.019","7.733","0.006","7.988","0.006","90","","90","","90","","1541","2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","6-Chloroquinolin-2(1H)-one","","- C9 H6 Cl N O -","- C9 H6 Cl N O -","- C72 H48 Cl8 N8 O8 -","8","1","HB6549","Zhang, Chen-Guang; Luo, Yang-Hui","6-Chloroquinolin-2(1H)-one","Acta Crystallographica Section E","2012","68","1","o188","","10.1107/S1600536811053359","","","0.71073","MoKα","","0.0375","0.0301","","","0.0818","0.0878","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233174","17.6694","0.0018","15.5299","0.0016","18.0855","0.0019","90","","102.955","0.002","90","","4836.4","0.9","296","2","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H- 1,2,4-triazole-5(4H)-thione","","- C24 H20 Br F2 N3 O3 S -","- C24 H20 Br F2 N3 O3 S -","- C192 H160 Br8 F16 N24 O24 S8 -","8","1","HB6551","Fun, Hoong-Kun; Ooi, Chin Wei; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(4-Bromophenyl)-1-(2,6-difluorobenzyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","1","o89","","10.1107/S1600536811052330","","","0.71073","MoKα","","0.1213","0.0481","","","0.1273","0.1575","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233175","24.375","0.005","8.5404","0.0017","21.345","0.004","90","","116.9","0.03","90","","3962.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Methylammonium tetrafluoroborate‒18-crown-6 (1/1)","Methylammonium tetrafluoroborate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C13 H30 B F4 N O6 -","- C13 H30 B F4 N O6 -","- C104 H240 B8 F32 N8 O48 -","8","1","HB6552","Jin, Yu","Methylammonium tetrafluoridoborate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","1","o225","","10.1107/S1600536811054432","","","0.71073","MoKα","","0.1508","0.0727","","","0.1845","0.2262","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233176","7.5091","0.0015","11.041","0.002","21.38","0.004","90","","90","","90","","1772.6","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Chloro-1H-indol-3-yl)acetonitrile","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C80 H56 Cl8 N16 -","8","2","HB6554","Pan, Mei-Ling; Li, Xiang; Luo, Yang-Hui","2-(4-Chloro-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o203","","10.1107/S1600536811054079","","","0.71073","MoKα","","0.0796","0.0475","","","0.0984","0.1108","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233177","9.761","0.002","11.205","0.002","8.7791","0.0018","90","","100.39","0.03","90","","944.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(6-Chloro-1H-indol-3-yl)acetonitrile","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C40 H28 Cl4 N8 -","4","1","HB6557","Li, Jin-Feng; Luo, Yang-Hui","2-(6-Chloro-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","1","o144","","10.1107/S1600536811053372","","","0.71073","MoKα","","0.1466","0.1098","","","0.2875","0.3122","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233178","16.1636","0.0017","9.6538","0.001","12.6887","0.0013","90","","112.844","0.002","90","","1824.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyridinium sorbate‒sorbic acid (1/1)","2,3-Diaminopyridinium hexa-2,4-dienoate‒hexa-2,4-dienoic acid (1/1)","","- C17 H23 N3 O4 -","- C17 H23 N3 O4 -","- C68 H92 N12 O16 -","4","1","HB6558","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium sorbate‒sorbic acid (1/1)","Acta Crystallographica Section E","2012","68","1","o186","","10.1107/S1600536811053025","","","0.71073","MoKα","","0.0976","0.0474","","","0.1224","0.1524","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233179","7.2934","0.0015","13.065","0.003","17.902","0.004","90","","90","","90","","1705.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1H-indole-3-carboxylic acid","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","HB6559","Han, Xue-Lian; Luo, Yang-Hui","5-Chloro-1H-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o145","","10.1107/S1600536811053384","","","0.71073","MoKα","","0.0468","0.0374","","","0.0986","0.1038","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233180","14.3537","0.0009","7.0069","0.0005","8.2605","0.0005","90","","90","","90","","830.8","0.09","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3,3-Dimethyl-2-benzofuran-1(3H)-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","HB6560","Siddegowda, M. S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Yathirajan, H. S.; Ramesha, A. R.","3,3-Dimethyl-2-benzofuran-1(3H)-one","Acta Crystallographica Section E","2012","68","1","o113","","10.1107/S1600536811052913","","","0.71073","MoKα","","0.068","0.0522","","","0.1244","0.1334","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233181","14.3101","0.0004","9.362","0.0002","10.2697","0.0002","90","","90","","90","","1375.84","0.06","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","2-[((E)-2-{2-[(E)-2- Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","HB6561","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","2-[((E)-2-{2-[(E)-2-Hydroxybenzylidene]hydrazinecarbonyl}hydrazinylidene)methyl]phenol","Acta Crystallographica Section E","2012","68","1","o193","","10.1107/S1600536811053268","","","1.54178","CuKα","","0.0267","0.0265","","","0.075","0.0751","","","","","","1.1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233182","5.8109","0.0006","37.012","0.004","7.3537","0.0008","90","","95.634","0.002","90","","1573.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","HB6564","Shao, Ying; An, Dong; Zhou, Mi; Liu, Li; Sun, Xiao-Qiang","N-{2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethyl}phthalimide","Acta Crystallographica Section E","2012","68","1","o173","","10.1107/S160053681105327X","","","0.71073","MoKα","","0.0611","0.0568","","","0.158","0.1612","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233183","23.9107","0.0007","11.9395","0.0004","22.0117","0.0007","90","","106.766","0.003","90","","6016.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-n-butylbis(N-ethyl-N-phenyldithiocarbamato- κS)tin(IV)","","- C26 H38 N2 S4 Sn -","- C26 H38 N2 S4 Sn -","- C208 H304 N16 S32 Sn8 -","8","1","HB6565","Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","Di-n-butylbis(N-ethyl-N-phenyldithiocarbamato-κS)tin(IV)","Acta Crystallographica Section E","2012","68","1","m79","m80","10.1107/S160053681105392X","","","0.71073","MoKα","","0.0378","0.0295","","","0.0685","0.0737","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2233184","14.1361","0.0007","32.2264","0.0017","28.9417","0.0016","90","","90.572","0.001","90","","13183.9","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]- 2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","","- C76 H80 O16 -","- C76 H80 O16 -","- C608 H640 O128 -","8","4","HG5129","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","6,12,18,24-Tetramethoxy-4,10,16,22-tetrakis[(methoxycarbonyl)methoxy]-2,8,14,20-tetrakis(2-phenylethyl)resorcin[4]arene","Acta Crystallographica Section E","2012","68","1","o97","o98","10.1107/S1600536811051567","","","0.71073","MoKα","","0.0879","0.0561","","","0.1438","0.1624","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233185","24.564","0.005","7.22","0.0014","21.287","0.004","90","","125.04","0.03","90","","3091","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1-allyl-1H-imidazole-κN^3^)bis(thiocyanato- κN)manganese(II)","","- C26 H32 Mn N10 S2 -","- C26 H32 Mn N10 S2 -","- C104 H128 Mn4 N40 S8 -","4","0.5","HG5141","Zhao, Juan; Jin, Yan-Ling","Tetrakis(1-allyl-1H-imidazole-κN^3^)bis(thiocyanato-κN)manganese(II)","Acta Crystallographica Section E","2012","68","1","m9","","10.1107/S1600536811051282","","","0.71073","MoKα","","0.1118","0.0588","","","0.132","0.1615","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233186","4.648","0.003","13.274","0.008","13.69","0.008","106.765","0.007","90.013","0.006","92.7","0.008","807.8","0.9","123.15","","123","2","","","","","","","","5","P -1","-P 1","2","","1-Benzoyl-3-(4-n-butylphenyl)thiourea","","- C18 H20 N2 O S -","- C18 H20 N2 O S -","- C36 H40 N4 O2 S2 -","2","1","HG5142","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin; Imtiaz-ud-Din","1-Benzoyl-3-(4-n-butylphenyl)thiourea","Acta Crystallographica Section E","2012","68","1","o120","","10.1107/S1600536811051774","","","0.7107","MoKα","","0.051","0.0425","","","0.0986","0.1028","","","","","","1.06","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233187","3.7685","0.0002","27.3441","0.0017","10.1294","0.0008","90","","96.2","0.03","90","","1037.69","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-Amino-1-(4-nitrophenyl)-1H-pyrazole-3-carbonitrile","","- C10 H7 N5 O2 -","- C10 H7 N5 O2 -","- C40 H28 N20 O8 -","4","1","HG5146","Jiang, Qiang-Hua; He, Qiu; Zhang, Jian-Qiang; Yang, Yang; Wan, Rong","5-Amino-1-(4-nitrophenyl)-1H-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2012","68","1","o65","","10.1107/S1600536811052147","","","0.71073","MoKα","","0.0543","0.0483","","","0.1165","0.1228","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233188","7.733","0.004","8.059","0.004","14.851","0.007","90","","91.416","0.01","90","","925.2","0.8","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","HG5147","Li, Wenming; Li, Xiaobo; Duan, Yuqing; Deng, Zhirong; Wang, Runling","1-(2-Hydroxy-3,5-dimethoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","1","o116","","10.1107/S1600536811052974","","","0.71073","MoKα","","0.048","0.0348","","","0.0843","0.0906","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233189","20.331","0.009","5.07","0.003","17.58","0.009","90","","108.489","0.008","90","","1718.6","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","HG5150","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(S)-Methyl 2-benzamido-3-(3,4-dimethoxyphenyl)propanoate","Acta Crystallographica Section E","2012","68","1","o177","","10.1107/S1600536811052767","","","0.71073","MoKα","","0.1413","0.0773","","","0.1801","0.2186","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233190","8.9706","0.0004","9.4967","0.0006","10.558","0.0005","92.5","0.004","97.961","0.004","96.666","0.004","883.13","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane‒ (naphthalen-1-yl)methanol (1/2)","","- C42 H60 N4 O2 -","- C42 H60 N4 O2 -","- C42 H60 N4 O2 -","1","0.5","HG5151","Choi, Jong-Ha; Subhan, Md Abdus; Ryoo, Keon Sang; Ng, Seik Weng","3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane‒(naphthalen-1-yl)methanol (1/2)","Acta Crystallographica Section E","2012","68","1","o102","","10.1107/S160053681105272X","","","0.71073","MoKα","","0.0699","0.049","","","0.112","0.1261","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233191","13.5441","0.0002","14.8971","0.0002","15.0149","0.0002","66.431","0.001","63.921","0.001","65.275","0.001","2383.45","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1H),2'(3'H)- 1,3,4-thiadiazole]","1-benzyl-3-methyl-3',5'-diphenyl-1H,3'H-spiro[quinoxaline-2,2'- [1,3,4]thiadiazole]","","- C29 H24 N4 S -","- C29 H24 N4 S -","- C116 H96 N16 S4 -","4","2","HG5152","Anothane, Caleb Ahoya; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1H),2'(3'H)-1,3,4-thiadiazole]","Acta Crystallographica Section E","2012","68","1","o103","","10.1107/S1600536811052731","","","0.71073","MoKα","","0.0705","0.045","","","0.1147","0.1347","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233192","11.421","0.006","7.381","0.004","19.7","0.011","90","","91.832","0.006","90","","1659.8","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl- 4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate","","- C16 H21 N2 O5 -","- C16 H21 N2 O5 -","- C64 H84 N8 O20 -","4","1","HG5154","Wang, Hai-Bo; Jing, Lin-Lin; Sun, Xiao-Li","Methyl 2-{[2-(4,4,5,5-tetramethyl-1,3-dioxyl-4,5-dihydroimidazol-2-yl)phenyl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o217","","10.1107/S1600536811054018","","","0.71073","MoKα","","0.1115","0.06","","","0.1797","0.2194","","","","","","0.946","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233193","10.856","0.001","12.5901","0.0013","13.3741","0.0015","80.278","0.002","66.686","0.001","77.918","0.001","1634","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4- thiodiazole-2-thiolato)tin(IV)","","- C30 H22 F2 N4 S6 Sn -","- C30 H22 F2 N4 S6 Sn -","- C60 H44 F4 N8 S12 Sn2 -","2","1","HP2022","Li, Lei; Zeng, Suyuan; Yan, Nana","Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolato)tin(IV)","Acta Crystallographica Section E","2012","68","1","m83","","10.1107/S1600536811054274","","","0.71073","MoKα","","0.1533","0.0598","","","0.083","0.102","","","","","","0.833","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233194","9.932","0.002","19.349","0.004","9.94","0.002","90","","105.16","0.03","90","","1843.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(μ-2-formyl-6-methoxyphenolato- 1:2κ^4^O^1^,O^6^:O^1^,O^2^)copper(II)sodium]- μ-tetrafluoridoborate-1:1'κ^2^F:F']","","- C16 H14 B Cu F4 Na O6 -","- C16 H14 B Cu F4 Na O6 -","- C64 H56 B4 Cu4 F16 Na4 O24 -","4","1","HY2490","Yang, Yu; Gao, Po; Yang, Jing-Lin; Hou, Hai-Ge; Gao, Ting","catena-Poly[[bis(μ-2-formyl-6-methoxyphenolato-1:2κ^4^O^1^,O^6^:O^1^,O^2^)copper(II)sodium]-μ-tetrafluoridoborate-1:1'κ^2^F:F']","Acta Crystallographica Section E","2012","68","1","m37","","10.1107/S1600536811051713","","","0.71073","MoKα","","0.1308","0.0611","","","0.1196","0.1428","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233195","25.84","0.003","7.8664","0.0008","16.8013","0.0017","90","","112.712","0.001","90","","3150.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κN^1^]nickel(II) decahydrate","","- C18 H40 N6 Ni O18 -","- C18 H40 N6 Ni O18 -","- C72 H160 N24 Ni4 O72 -","4","0.5","HY2491","Sun, Weixuan; Yu, Yaqin; Wang, Guanjun; Wu, Xiaohui","Tetraaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κN^1^]nickel(II) decahydrate","Acta Crystallographica Section E","2012","68","1","m10","","10.1107/S1600536811051063","","","0.71073","MoKα","","0.0697","0.0486","","","0.1077","0.1187","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233196","12.163","0.002","12.785","0.003","14.937","0.003","90","","96.82","0.03","90","","2306.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1,1'-(1,3-phenylenedimethylene)di(1H-imidazol-3-ium)] β-octamolybdate","","- C28 H32 Mo8 N8 O26 -","- C28 H32 Mo8 N8 O26 -","- C56 H64 Mo16 N16 O52 -","2","0.5","HY2492","Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","Bis[1,1'-(1,3-phenylenedimethylene)di(1H-imidazol-3-ium)] β-octamolybdate","Acta Crystallographica Section E","2012","68","1","m50","","10.1107/S1600536811053050","","","0.71073","MoKα","","0.0328","0.0258","","","0.0543","0.057","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233197","6.5327","0.0007","9.7963","0.001","12.2562","0.0012","90","","102.86","0.02","90","","764.68","0.15","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato- κ^2^N^1^,O^2^)copper(II)","","- C12 H10 Cu N4 O12 -","- C12 H10 Cu N4 O12 -","- C24 H20 Cu2 N8 O24 -","2","0.5","HY2493","Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing","Diaquabis(4-hydroxy-5-nitropyridine-2-carboxylato-κ^2^N^1^,O^2^)copper(II)","Acta Crystallographica Section E","2012","68","1","m46","","10.1107/S1600536811052949","","","0.71073","MoKα","","0.038","0.0292","","","0.075","0.0772","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233198","9.912","0.003","10.635","0.004","13.286","0.004","68.82","0.02","87.74","0.03","80.16","0.03","1286.3","0.8","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-n-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^S,S')palladium(II)","","- C44 H72 N10 Pd S4 -","- C44 H72 N10 Pd S4 -","- C44 H72 N10 Pd S4 -","1","0.5","HY2494","Tomura, Masaaki; Yamashita, Yoshiro","Bis(tetra-n-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ^2^S,S')palladium(II)","Acta Crystallographica Section E","2012","68","1","m57","","10.1107/S1600536811053402","","","0.7107","MoKα","","0.2713","0.0928","","","0.1631","0.2218","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233199","9.8602","0.0005","20.3681","0.0011","13.1069","0.0007","90","","111.453","0.001","90","","2449.9","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[6-(1H-benzimidazol-2-yl-κN^3^)pyridine-2-carboxylato- κ^2^N,O]cobalt(II) dihydrate","","- C26 H20 Co N6 O6 -","- C26 H20 Co N6 O6 -","- C104 H80 Co4 N24 O24 -","4","1","HY2495","Han, Liying; Sun, Dajun","Bis[6-(1H-benzimidazol-2-yl-κN^3^)pyridine-2-carboxylato-κ^2^N,O]cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m74","","10.1107/S1600536811053700","","","0.71073","MoKα","","0.0628","0.0492","","","0.1396","0.1501","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233200","10.3913","0.0002","10.6343","0.0002","10.7371","0.0002","86.6909","0.0008","65.5907","0.0007","63.8778","0.0007","958.82","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-ferrocenyl-1-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxylate","","- C22 H21 Fe N3 O2 -","- C22 H21 Fe N3 O2 -","- C44 H42 Fe2 N6 O4 -","2","1","IM2331","Guzei, Ilia A.; Spencer, Lara C.; Munyaneza, Apollinaire; Darkwa, James","Ethyl 3-ferrocenyl-1-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","m35","m36","10.1107/S160053681105238X","","","0.71073","MoKα","","0.0262","0.025","","","0.0669","0.0679","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233201","20.888","0.004","7.9112","0.0015","25.197","0.005","90","","90","","90","","4163.8","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","","- C16 H12 F I3 N2 Pb -","- C16 H12 F I3 N2 Pb -","- C128 H96 F8 I24 N16 Pb8 -","8","1","IM2337","Zhao, Hai-Rong","catena-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","Acta Crystallographica Section E","2012","68","1","m19","","10.1107/S1600536811051853","","","0.71073","MoKα","","0.1488","0.047","","","0.0657","0.0818","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233202","30.5729","0.0006","11.8625","0.0002","19.8975","0.0005","90","","96.732","0.001","90","","7166.5","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-κN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C304 H288 B16 F32 N48 O32 -","16","2","IM2338","Cui, Ai-Jun; An, Jie; Sun, Fu-An; Hu, Meng; Qin, Jing","{2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-κN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron","Acta Crystallographica Section E","2012","68","1","o63","","10.1107/S1600536811052196","","","0.71073","MoKα","","0.1137","0.0825","","","0.1716","0.1925","","","","","","1.26","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233203","7.0792","0.0004","13.7006","0.0007","15.3587","0.0009","90","","96.782","0.002","90","","1479.21","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[(2-Formylphenoxy)methyl]-3-(4-methylphenyl)prop-2-enenitrile","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","IM2342","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(E)-2-[(2-Formylphenoxy)methyl]-3-(4-methylphenyl)prop-2-enenitrile","Acta Crystallographica Section E","2012","68","1","o28","","10.1107/S1600536811051415","","","0.71073","MoKα","","0.0804","0.0414","","","0.1053","0.1326","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233204","7.184","0.0014","21.546","0.004","7.907","0.0016","90","","101.62","0.03","90","","1198.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitroanilino)benzoic acid","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","IM2343","Zhu, Xiao-Lin; Shi, Lu; Jiang, Peng; Zhu, Tian-Hao; Zhu, Hong-Jun","2-(2-Nitroanilino)benzoic acid","Acta Crystallographica Section E","2012","68","1","o213","","10.1107/S1600536811053529","","","0.71073","MoKα","","0.0923","0.0565","","","0.1347","0.1581","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233205","22.835","0.0006","8.0587","0.0002","25.3653","0.0006","90","","90.9","0.002","90","","4667.2","0.2","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-Anilino-4-methylthiazol-5-yl)(4-chlorophenyl)methanone","","- C17 H13 Cl N2 O S -","- C17 H13 Cl N2 O S -","- C204 H156 Cl12 N24 O12 S12 -","12","3","IM2345","Liu, Jing-Jing; Zheng, Ren-Lin; Yang, Sheng-Yong; Xie, Yong-Mei","(2-Anilino-4-methylthiazol-5-yl)(4-chlorophenyl)methanone","Acta Crystallographica Section E","2012","68","1","o161","","10.1107/S1600536811053463","","","0.7107","MoKα","","0.0732","0.0467","","","0.0969","0.1099","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233206","7.582","0.0001","9.7487","0.0001","17.8588","0.0002","90","","93.1792","0.0018","90","","1318","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","","- C28 H46 O3 -","- C28 H46 O3 -","- C56 H92 O6 -","2","1","IM2347","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Carvalho, J. F. S.; Cruz Silva, M. M.","5α,6α-Epoxy-7-norcholestan-3β-yl acetate","Acta Crystallographica Section E","2012","68","1","o237","","10.1107/S1600536811054249","","","0.71073","MoKα","","0.105","0.0483","","","0.1114","0.1378","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233207","10.591","0.003","12.359","0.003","9.116","0.003","90","","97.951","0.004","90","","1181.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6'-Bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3- d]pyrimidin]-4'(3'H)-one","","- C12 H14 Br N3 O -","- C12 H14 Br N3 O -","- C48 H56 Br4 N12 O4 -","4","1","IS5001","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Li, Jiarong","6'-Bromo-1'H-spiro[cyclohexane-1,2'-pyrido[2,3-d]pyrimidin]-4'(3'H)-one","Acta Crystallographica Section E","2012","68","1","o178","","10.1107/S1600536811052299","","","0.71073","MoKα","","0.0555","0.0345","","","0.0685","0.0739","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233208","7.4121","0.0011","19.24","0.003","9.3096","0.0014","90","","109.051","0.002","90","","1254.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-5-methylbis[1,2,4]triazolo[1,5-a:4',3'-c]quinazoline","","- C13 H12 N6 O -","- C13 H12 N6 O -","- C52 H48 N24 O4 -","4","1","IS5002","Al-Salahi, Rashad; Geffken, Detlef; Bari, Ahmed","2-Ethoxy-5-methylbis[1,2,4]triazolo[1,5-a:4',3'-c]quinazoline","Acta Crystallographica Section E","2012","68","1","o101","","10.1107/S1600536811052810","","","0.71073","MoKα","","0.0989","0.0551","","","0.1162","0.1343","","","","","","0.907","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233209","18.2019","0.0009","10.4667","0.0005","11.0695","0.0006","90","","90","","90","","2108.89","0.18","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-(butan-2-yl)-7,20-bis(1-hydroxyethyl)-10,23-bis(propan-2-yl)-12,25-dithia- 3,6,9,16,19,22,27,28-octaazatricyclo[22.2.1.1^11,14^]octacosa- 1(26),11(28),13,24(27)-tetraene-2,5,8,15,18,21-hexone acetonitrile monosolvate","","- C34 H51 N9 O8 S2 -","- C34 H51 N9 O8 S2 -","- C68 H102 N18 O16 S4 -","2","0.5","IS5015","Asano, Akiko; Doi, Mitsunobu","The desoxazoline asidiacyclamide analogue cyclo(Gly‒Thr‒D-Val‒Thz‒Ile‒Thr‒D-Val‒Thz) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","1","o54","o55","10.1107/S1600536811051543","","","0.71073","MoKα","","0.0773","0.0746","","","0.2101","0.213","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233210","7.8056","0.0004","11.9034","0.0006","18.9109","0.0009","90","","90","","90","","1757.07","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","IS5016","Hariono, Maywan; Ngah, Nurziana; Wahab, Habibah A.; Abdul Rahim, Aisyah Saad","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2012","68","1","o35","o36","10.1107/S1600536811051269","","","0.71073","MoKα","","0.0249","0.0232","","","0.0549","0.0555","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233211","8.8759","0.0005","13.2493","0.0008","13.2891","0.0007","108.496","0.002","90.708","0.002","98.142","0.002","1464.39","0.14","296","","296","","","","","","","","","5","P -1","-P 1","2","Corrphycene","(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7- dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl- 2:3,6:7-dibutanocorrphycene (3/97)","","- C36 H37.93 Cu0.03 N4 O4 -","- C36 H37.9316 Cu0.0342 N4 O4 -","- C72 H75.8632 Cu0.0684 N8 O8 -","2","1","IS5019","Ohgo, Yoshiki; Yokoyama, Yuki; Hashizume, Daisuke; Neya, Saburo; Nakamura, Mikio","(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97)","Acta Crystallographica Section E","2012","68","1","m23","m24","10.1107/S1600536811052214","","","0.71073","MoKα","","0.1389","0.0722","","","0.1986","0.2459","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233212","9.746","0.0008","10.0436","0.0008","12.6072","0.001","85.737","0.001","89.684","0.002","70.238","0.001","1157.91","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-hydroxy-3-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1H-benzimidazole-5-carboxylate monohydrate","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C48 H58 N6 O12 -","2","1","IS5022","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-hydroxy-3-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","1","o87","o88","10.1107/S1600536811052391","","","0.71073","MoKα","","0.082","0.0551","","","0.1629","0.1854","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233213","7.0061","0.0001","20.792","0.0004","10.8956","0.0002","90","","106.063","0.001","90","","1525.2","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) diiodide","","- C36 H32 I2 N2 -","- C36 H32 I2 N2 -","- C72 H64 I4 N4 -","2","0.5","IS5025","Chantrapromma, Suchada; Chanawanno, Kullapa; Boonnak, Nawong; Fun, Hoong-Kun","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) diiodide: thermal-induced [2+2] cycloaddition reaction of a heterostilbene","Acta Crystallographica Section E","2012","68","1","o67","o68","10.1107/S1600536811052433","","","0.71073","MoKα","","0.0612","0.0417","","","0.0742","0.0801","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233214","7.09","0.002","9.982","0.003","11.513","0.003","100.872","0.006","96.827","0.004","91.359","0.004","793.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate","","- C8 H17 N3 O3 S4 -","- C8 H17 N3 O3 S4 -","- C16 H34 N6 O6 S8 -","2","1","IS5026","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","N-(5-Sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","1","o224","","10.1107/S1600536811054298","","","0.71073","MoKα","","0.048","0.0388","","","","0.117","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233215","9.787","0.004","9.302","0.003","16.657","0.006","90","","93.525","0.003","90","","1513.6","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","IS5030","Ma, Hui-Ping; Jing, Lin-Lin; He, Lei; Fan, Peng-Cheng; Jia, Zheng-Ping","2-[3-Hydroxy-4-(2-hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2012","68","1","o218","","10.1107/S1600536811053979","","","0.71073","MoKα","","0.052","0.0376","","","0.0937","0.1034","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233216","8.7132","0.0005","11.9207","0.0007","15.9015","0.0008","90.913","0.002","104.11","0.002","97.677","0.002","1585.44","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^N,N')chlorido(2,2':6',2''-terpyridyl- κ^3^N,N',N'')ruthenium(II) perchlorate ethanol monosolvate monohydrate","","- C29 H27 Cl2 N5 O10 Ru -","- C29 H27 Cl2 N5 O10 Ru -","- C58 H54 Cl4 N10 O20 Ru2 -","2","1","IS5031","Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.","(2,2'-Bipyridine-4,4'-dicarboxylic acid-κ^2^N,N')chlorido(2,2':6',2''-terpyridyl-κ^3^N,N',N'')ruthenium(II) perchlorate ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","1","m77","m78","10.1107/S1600536811054195","","","0.71073","MoKα","","0.05","0.0399","","","0.1072","0.1122","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233217","15.8554","0.0002","15.3988","0.0002","16.2292","0.0002","90","","90","","90","","3962.43","0.09","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]- 1H-benzimidazole-5-carboxylate","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C184 H176 N32 O32 -","8","1","IS5032","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o247","o248","10.1107/S1600536811054572","","","0.71073","MoKα","","0.0718","0.0508","","","0.1153","0.126","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233218","7.1536","0.0006","8.207","0.0007","13.8259","0.001","74.42","0.007","86.54","0.006","69.186","0.008","730.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C30 H34 N6 O6 -","2","1","IS5034","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","N-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide","Acta Crystallographica Section E","2012","68","1","o226","o227","10.1107/S1600536811054493","","","0.71073","MoKα","","0.0574","0.0466","","","0.1238","0.1318","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233219","15.873","0.003","14.057","0.003","11.991","0.002","90","","109.21","0.03","90","","2526.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,6-Dimethylpyrazine-2,3-dicarboxylic acid","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C96 H96 N24 O48 -","12","1.5","JJ2111","Liu, Fu-Hong","5,6-Dimethylpyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2012","68","1","o132","","10.1107/S1600536811052366","","","0.71073","MoKα","","0.0582","0.0493","","","0.1269","0.133","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233220","12.18","0.001","15.6753","0.0013","16.0235","0.0013","90","","90","","90","","3059.3","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","\ Bis[μ-N-(diethylamino-κN)dimethylsilylanilido- κ^2^N:N]bis[chloridocobalt(II)]","","- C24 H42 Cl2 Co2 N4 Si2 -","- C24 H42 Cl2 Co2 N4 Si2 -","- C96 H168 Cl8 Co8 N16 Si8 -","4","0.5","JJ2112","Chen, Juan","Bis[μ-N-(diethylamino-κN)dimethylsilylanilido-κ^2^N:N]bis[chloridocobalt(II)]","Acta Crystallographica Section E","2012","68","1","m81","","10.1107/S1600536811054602","","","0.71073","MoKα","","0.1272","0.0716","","","0.1731","0.2267","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233221","7.2854","0.0003","12.4785","0.0005","14.4098","0.0006","90","","98.2","0.004","90","","1296.61","0.09","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromidochlorido{2-[(dimethylamino)methyl]phenyl- κ^2^N,C^1^}tellurium(IV)","","- C9 H12 Br2 Cl N Te -","- C9 H12 Br2 Cl N Te -","- C36 H48 Br8 Cl4 N4 Te4 -","4","1","JJ2114","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Dibromidochlorido{2-[(dimethylamino)methyl]phenyl-κ^2^N,C^1^}tellurium(IV)","Acta Crystallographica Section E","2012","68","1","o215","o216","10.1107/S1600536811054560","","","0.71073","MoKα","","0.0741","0.038","","","0.0491","0.0559","","","","","","0.956","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233222","5.0869","0.001","9.4622","0.0019","32.318","0.007","90","","90","","90","","1555.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one dihydrate","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","KJ2193","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; López-Rodríguez, Matías","4',5-Dihydroxy-7-methoxyflavanone dihydrate","Acta Crystallographica Section E","2012","68","1","o32","o33","10.1107/S1600536811051221","","","0.71073","MoKα","","0.0945","0.0752","","","0.1697","0.1798","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233223","10.3054","0.0004","10.668","0.0004","16.603","0.0005","90","","100.844","0.003","90","","1792.71","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{N-[1-(1H-Benzimidazol-2-yl)ethylidene-κN^3^]- 3-(1H-imidazol-1-yl)propan-1-amine-κN}dibromidomercury(II)","","- C15 H17 Br2 Hg N5 -","- C15 H17 Br2 Hg N5 -","- C60 H68 Br8 Hg4 N20 -","4","1","KP2360","Wang, Qing; Fu, Zhong-Ye; Yu, Liang-Min","{N-[1-(1H-Benzimidazol-2-yl)ethylidene-κN^3^]-3-(1H-imidazol-1-yl)propan-1-amine-κN}dibromidomercury(II)","Acta Crystallographica Section E","2012","68","1","m44","","10.1107/S1600536811051166","","","0.71073","MoKα","","0.0614","0.0312","","","0.0393","0.041","","","","","","0.93","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233224","12.0562","0.0014","12.115","0.003","13.3198","0.0017","80.773","0.002","74.889","0.001","66.153","0.001","1714.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ- ferrocenecarboxylato)bis[aquabis(ferrocenecarboxylato)methanolerbium(III)] methanol disolvate","","- C70 H74 Er2 Fe6 O18 -","- C70 H74 Er2 Fe6 O18 -","- C70 H74 Er2 Fe6 O18 -","1","0.5","KP2371","Liu, Jianmin; Li, Yuanyuan; Li, Dacheng","Bis(μ-ferrocenecarboxylato)bis[aquabis(ferrocenecarboxylato)methanolerbium(III)] methanol disolvate","Acta Crystallographica Section E","2012","68","1","m6","m7","10.1107/S1600536811051245","","","0.71073","MoKα","","0.0489","0.0326","","","0.0705","0.0809","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233225","18.2082","0.0019","10.6028","0.0011","20.287","0.002","90","","93.003","0.002","90","","3911.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4-Di-tert-butyl-6-[(R/S)-1-(3,5-di-tert-butyl-2- hydroxyphenyl)ethyl]phenyl [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1- yl]methanesulfonate","","- C40 H60 O5 S -","- C40 H60 O5 S -","- C160 H240 O20 S4 -","4","2","KP2372","Wang, Cheng; Wu, Jincai","2,4-Di-tert-butyl-6-[(R/S)-1-(3,5-di-tert-butyl-2-hydroxyphenyl)ethyl]phenyl [(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate","Acta Crystallographica Section E","2012","68","1","o93","","10.1107/S1600536811052664","","","0.71073","MoKα","","0.1236","0.069","","","0.1755","0.2034","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233226","20.388","0.002","9.9707","0.001","12.5268","0.0012","90","","105.035","0.002","90","","2459.3","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10- phenanthroline)copper(II) methanol monosolvate","","- C31 H24 Cu N4 O3 -","- C31 H24 Cu N4 O3 -","- C124 H96 Cu4 N16 O12 -","4","1","KP2374","Liu, Bao-Lin; Dong, De-Ming; Hua, Xiu-Yi; Zhu, Jian-Wei","{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","1","m86","","10.1107/S1600536811054316","","","0.71073","MoKα","","0.0794","0.0415","","","0.0814","0.0927","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233227","8.4696","0.0005","12.1662","0.0007","16.986","0.0009","94.423","0.003","100.038","0.003","103.475","0.003","1663.33","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","2","KP2375","Anuradha, T.; Sivakumar, G.; Seshadri, P. R.; Bakthadoss, M.","(E)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","1","o229","","10.1107/S1600536811054365","","","0.71073","MoKα","","0.0792","0.0436","","","0.1135","0.1367","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233228","14.1637","0.0003","11.2823","0.0003","14.4413","0.0003","90","","98.131","0.002","90","","2284.51","0.09","423","2","423","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile","","- C11 H12 N4 S -","- C11 H12 N4 S -","- C88 H96 N32 S8 -","8","1","KP2376","Al-Adiwish, Wedad M.; Adan, D.; Mohamed Tahir, Mohamed Ibrahim; Yaacob, W.A.; Kassim, Mohammad B.","3-Amino-5-(piperidin-1-yl)thiophene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","1","o138","","10.1107/S1600536811052950","","","1.54178","CuKα","","0.0378","0.0351","","","0.0953","0.0978","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233229","8.7431","0.0017","10.867","0.002","11.412","0.002","90","","100.48","0.03","90","","1066.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato- κ^4^N^1^,O^2^;N^4^,O^3^] nitrate]","","- C6 H7 N3 O9 Zn -","- C6 H7 N3 O9 Zn -","- C24 H28 N12 O36 Zn4 -","4","1","KP2377","Starosta, Wojciech; Leciejewicz, Janusz","catena-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato-κ^4^N^1^,O^2^;N^4^,O^3^] nitrate]","Acta Crystallographica Section E","2012","68","1","m75","","10.1107/S1600536811054031","","","0.71073","MoKα","","0.0515","0.0318","","","0.0884","0.0967","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233230","8.7247","0.0017","7.1486","0.0014","11.502","0.002","90","","99.44","0.03","90","","707.7","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒dimethylglyoxime (1/1)","","- C14 H16 N4 O2 -","- C14 H16 N4 O2 -","- C28 H32 N8 O4 -","2","0.5","LD2038","Yang, Yan; Huang, Ziping; Lv, Haitang; Han, Aixia","4,4'-Bipyridine‒dimethylglyoxime (1/1)","Acta Crystallographica Section E","2012","68","1","o242","","10.1107/S1600536811054341","","","0.71073","MoKα","","0.0553","0.0426","","","0.1209","0.1328","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233231","7.3086","0.0002","8.4033","0.0003","11.8705","0.0005","82.5685","0.0018","77.6686","0.0017","71.1469","0.0015","672.58","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","LD2039","Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","Acta Crystallographica Section E","2012","68","1","o179","","10.1107/S1600536811052986","","","0.71073","MoKα","","0.0584","0.0422","","","","0.1132","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233232","10.474","0.006","11.676","0.007","3.674","0.002","90","","90","","90","","449.3","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1H-Imidazol-3-ium-4-carboxylate","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","LD2040","Cao, Qiang; Duan, Bao-Rong; Zhu, Bin; Cao, Zhen","1H-Imidazol-3-ium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o134","o135","10.1107/S1600536811052998","","","0.71073","MoKα","","0.0323","0.0293","","","0.0786","0.0827","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233233","5.7224","0.0003","10.5839","0.0005","16.8532","0.001","90","","90","","90","","1020.72","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(3S)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","LH5369","Wang, Hui; Liu, Changlu; Luo, Feihua","2-[(3S)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","Acta Crystallographica Section E","2012","68","1","o24","","10.1107/S160053681105135X","","","0.71073","MoKα","","0.0311","0.0284","","","0.0708","0.0728","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233234","11.341","0.002","11.669","0.002","11.748","0.002","90","","90","","90","","1554.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","","- C18 H16 Fe N2 O2 -","- C18 H16 Fe N2 O2 -","- C72 H64 Fe4 N8 O8 -","4","1","LH5370","Li, Wen-juan; Song, Manman; Xu, Yan","N'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","Acta Crystallographica Section E","2012","68","1","m8","","10.1107/S1600536811050835","","","0.71073","MoKα","","0.0567","0.0466","","","0.0905","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233235","10.578","0.007","11.394","0.007","12.217","0.007","72.195","0.006","73.525","0.006","72.975","0.006","1309.7","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6,6'-Di-tert-butyl-4,4'-dimethyl-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]diphenol","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","1","LH5371","Ding, Rui-Fang; Wang, Qi-Bao; Wen, Xin-Min","6,6'-Di-tert-butyl-4,4'-dimethyl-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","1","o40","","10.1107/S1600536811051257","","","0.71073","MoKα","","0.1081","0.0752","","","0.25","0.2706","","","","","","1.132","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233236","5.6476","0.0002","15.1045","0.0009","11.2556","0.0006","90","","99.993","0.003","90","","945.58","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Carbamoylquinoxalin-1-ium chloride","","- C9 H8 Cl N3 O -","- C9 H8 Cl N3 O -","- C36 H32 Cl4 N12 O4 -","4","1","LH5381","Harper, James K.; Strobel, Gary; Arif, Atta M.","3-Carbamoylquinoxalin-1-ium chloride","Acta Crystallographica Section E","2012","68","1","o79","o80","10.1107/S1600536811052457","","","0.71073","MoKα","","0.0453","0.0337","","","0.0792","0.0849","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233237","7.8515","0.0004","17.8264","0.0006","8.6872","0.0004","90","","109.79","0.005","90","","1144.08","0.09","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide","","- C11 H11 F3 N2 O2 -","- C11 H11 F3 N2 O2 -","- C44 H44 F12 N8 O8 -","4","1","LH5385","Jie, Li; Shuchen, Pei; Li, Hai; Yong, Wu","N-(2,3,4-Trifluorophenyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2012","68","1","o13","","10.1107/S1600536811051300","","","0.7107","MoKα","","0.0552","0.0409","","","0.0925","0.1029","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233238","11.0687","0.0018","9.7888","0.0014","25.776","0.004","90","","94.16","0.019","90","","2785.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato- κ^3^O^2^,N,O^6^)(4-hydroxypyridine-2,6- dicarboxylato-κ^3^O^2^,N,O^6^)zincate(II) 2.35-hydrate","","- C28 H24.7 N4 O12.35 Zn -","- C28 H24.7 N4 O12.35 Zn -","- C112 H98.8 N16 O49.4 Zn4 -","4","1","LH5386","Derikvand, Zohreh; Stoeckli-Evans, Helen; Nemati, Andya","2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-κ^3^O^2^,N,O^6^)(4-hydroxypyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)zincate(II) 2.35-hydrate: a proton-transfer compound","Acta Crystallographica Section E","2012","68","1","m31","m32","10.1107/S1600536811052445","","","0.71073","MoKα","","0.08","0.0387","","","0.072","0.081","","","","","","0.82","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233239","10.374","0.002","19.624","0.004","15.576","0.004","90","","100.065","0.0013","90","","3122.1","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclo-(Met-Leu-Ile-Pro-Pro-Phe-Phe-Val-Ile)","Cyclolinopeptide B methanol trisolvate","","- C59 H95 N9 O12 S -","- C59 H95 N9 O12 S -","- C118 H190 N18 O24 S2 -","2","1","LH5387","Schatte, Gabriele; Labiuk, Shaunivan; Li, Bonnie; Burnett, Peta-Gaye; Reaney, Martin; Grochulski, Pawel; Fodje, Michel; Yang, Jian; Sammynaiken, Ramaswami","Cyclolinopeptide B methanol trisolvate","Acta Crystallographica Section E","2012","68","1","o50","o51","10.1107/S1600536811051488","","","0.68878","synchrotron","","0.0601","0.0484","","","0.102","0.1156","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233240","8.2538","0.001","9.0431","0.0009","10.3323","0.0012","73.484","0.009","71.728","0.011","83.234","0.009","701.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Ethyl-N-methyl-3-nitro-4-nitromethyl-4H-chromen-2-amine","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","LH5388","Muthukumaran, J.; Parthiban, A.; Surya Prakash Rao, H.; Krishna, R.","6-Ethyl-N-methyl-3-nitro-4-nitromethyl-4H-chromen-2-amine","Acta Crystallographica Section E","2012","68","1","o180","o181","10.1107/S1600536811053554","","","0.71073","MoKα","","0.1145","0.0734","","","0.2115","0.2324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233241","7.895","0.002","8.512","0.002","19.884","0.005","90","","90","","90","","1336.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","","- C13 H15 Cl F2 N2 O -","- C13 H15 Cl F2 N2 O -","- C52 H60 Cl4 F8 N8 O4 -","4","1","LH5389","Zhang, Bo; Damu, Guri L. V.; Lv, Jing-Song; Zhou, Cheng-He","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2012","68","1","o70","","10.1107/S1600536811052597","","","0.71073","MoKα","","0.0322","0.031","","","0.0847","0.0858","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233242","5.243","0.0006","8.297","0.0008","14.5656","0.0015","94.33","0.005","98.387","0.006","92.292","0.005","624.22","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1H-1,2,4-Triazol-4-ium (3,4-dichlorophenyl)methanesulfonate","","- C9 H9 Cl2 N3 O3 S -","- C9 H9 Cl2 N3 O3 S -","- C18 H18 Cl4 N6 O6 S2 -","2","1","LH5392","Zhang, Ling; Damu, Guri L. V.; Lv, Jing-Song; Geng, Rong-Xia; Zhou, Cheng-He","1H-1,2,4-Triazol-4-ium (3,4-dichlorophenyl)methanesulfonate","Acta Crystallographica Section E","2012","68","1","o131","","10.1107/S1600536811053062","","","0.71073","MoKα","","0.0475","0.0438","","","0.12","0.1244","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233243","11.6772","0.0009","6.9524","0.0004","11.8244","0.0009","90","","102.16","0.002","90","","938.42","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C38 H58 N2 O12 -","2","1","LH5393","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-(morpholin-4-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","1","o167","o168","10.1107/S1600536811053207","","","0.71073","MoKα","","0.0578","0.0435","","","0.1014","0.1101","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233244","13.04","0.003","13.228","0.003","20.602","0.004","90","","90","","90","","3553.7","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N4 -","- C34 H36 Cl2 Fe N4 -","- C136 H144 Cl8 Fe4 N16 -","4","1","LH5395","Zhang, Yanyu; Wu, Qiaolin; Mu, Ying","{(1R,2R)-N,N'-Bis[2-(N-methylanilino)benzylidene]cyclohexane-1,2-diamine-κ^2^N,N'}dichloridoiron(II)","Acta Crystallographica Section E","2012","68","1","m64","","10.1107/S1600536811053773","","","0.71073","MoKα","","0.0489","0.0368","","","0.0881","0.0925","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233245","13.3333","0.0004","15.9424","0.0005","9.9965","0.0003","90","","104.736","0.001","90","","2055.01","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Dimethyl-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) monohydrate","","- C21 H26 N2 Ni O3 -","- C21 H26 N2 Ni O3 -","- C84 H104 N8 Ni4 O12 -","4","0.5","LH5396","Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Tahir, Muhammad Nawaz","{4,4'-Dimethyl-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","1","m82","","10.1107/S1600536811054262","","","0.71073","MoKα","","0.0418","0.0311","","","0.0773","0.0827","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233246","15.889","0.003","3.8242","0.0008","18.204","0.004","90","","108.18","0.03","90","","1050.9","0.4","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(Z)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","","- C10 H8 Cl2 O3 -","- C10 H8 Cl2 O3 -","- C40 H32 Cl8 O12 -","4","1","LR2037","Xu, Le-Xing; Bai, Xiao-Guang; Wang, Ju-Xian; Wang, Yu-Cheng","(Z)-Methyl 3-(2,4-dichlorophenyl)-3-hydroxyacrylate","Acta Crystallographica Section E","2012","68","1","o4","","10.1107/S1600536811051014","","","0.71073","MoKα","","0.0379","0.0343","","","0.0838","0.0855","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233247","9.154","0.002","7.994","0.0019","10.59","0.002","90","","106.04","0.003","90","","744.8","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","catena-Poly[[bis(acetato-κO)aquacopper(II)]-μ- 5-(pyridin-3-yl)pyrimidine-κ^2^N^1^:N^5^]","","- C13 H15 Cu N3 O5 -","- C13 H15 Cu N3 O5 -","- C26 H30 Cu2 N6 O10 -","2","1","LX2203","Sun, Ju-Feng; Hou, Gui-Ge; Dai, Xian-Ping","catena-Poly[[bis(acetato-κO)aquacopper(II)]-μ-5-(pyridin-3-yl)pyrimidine-κ^2^N^1^:N^5^]","Acta Crystallographica Section E","2012","68","1","m91","","10.1107/S160053681105481X","","","0.71073","MoKα","","0.0521","0.0504","","","0.1165","0.1177","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233248","4.9988","0.0006","25.617","0.003","7.1844","0.0008","90","","97.709","0.01","90","","911.68","0.18","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Dibromomethyl)benzoic acid","","- C8 H6 Br2 O2 -","- C8 H6 Br2 O2 -","- C32 H24 Br8 O8 -","4","1","LX2208","Lin, Hong-Yi; Fang, Sin-Kai; Chen, Kew-Yu","2-(Dibromomethyl)benzoic acid","Acta Crystallographica Section E","2012","68","1","o109","","10.1107/S1600536811052858","","","0.71073","MoKα","","0.1645","0.0908","","","0.1992","0.2268","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233249","9.7559","0.0006","12.4035","0.0007","16.5543","0.001","98.87","0.001","104.717","0.001","93.559","0.001","1903.5","0.2","223","","223","","","","","","","","","7","P -1","-P 1","2","","aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''- terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate","","- C31 H24 Cl F12 N4 O7 Yb -","- C31 H24 Cl F12 N4 O7 Yb -","- C62 H48 Cl2 F24 N8 O14 Yb2 -","2","1","MW2026","Okawara, Toru; Feng, Jiang; Abe, Masaaki; Hisaeda, Yoshio","Aquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)[4'-(4-pyridyl)-2,2':6',2''-terpyridine]ytterbium(III) chloride methanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","1","m29","m30","10.1107/S1600536811052378","","","0.71073","MoKα","","0.0463","0.0362","","","0.0765","0.0807","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233250","10.46","0.006","14.434","0.008","19.908","0.012","90","","90","","90","","3006","3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-di-2-pyridyl disulfide-κ^3^N,S:N')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I)","","- C20 H16 Cu4 I4 N4 S4 -","- C20 H16 Cu4 I4 N4 S4 -","- C80 H64 Cu16 I16 N16 S16 -","4","0.5","MW2029","Wang, Yu-Hong; Zhu, Xue-Hua","Bis(μ-di-2-pyridyl disulfide-κ^3^N,S:N')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I)","Acta Crystallographica Section E","2012","68","1","m18","","10.1107/S160053681105152X","","","0.71075","MoKα","","0.0601","0.0482","","","0.0823","0.0874","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233251","5.5205","0.0001","8.6077","0.0002","9.565","0.0002","79.75","0.001","89.509","0.001","85.083","0.001","445.607","0.016","100","2","100","1","","","","","","","","5","P -1","-P 1","2","","(E)-2-[(E)-3-(Hydroxyimino)butan-2-ylidene]-N- methylhydrazinecarbothioamide","","- C6 H12 N4 O S -","- C6 H12 N4 O S -","- C12 H24 N8 O2 S2 -","2","1","MW2038","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","(E)-2-[(E)-3-(Hydroxyimino)butan-2-ylidene]-N-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","1","o184","","10.1107/S1600536811053621","","","0.71073","MoKα","","0.036","0.031","","","0.0766","0.0811","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233252","7.6227","0.0018","10.136","0.002","14.272","0.003","90","","101.998","0.004","90","","1078.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde","","- C11 H8 O3 S2 -","- C11 H8 O3 S2 -","- C44 H32 O12 S8 -","4","1","MW2040","Sun, Lili; Li, Guijuan; Su, Qing","3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2012","68","1","o182","","10.1107/S1600536811052500","","","0.71073","MoKα","","0.0501","0.0407","","","0.094","0.1","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233253","10.7922","0.0003","14.7253","0.0006","16.9352","0.0006","90","","97.383","0.003","90","","2669","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-N-benzyl-N-furfuryldithiocarbamato)- 1:2κ^3^S,S':S';2:1κ^3^S,S':S'- bis[(N-benzyl-N-furfuryldithiocarbamato- κ^2^S,S')cadmium]","","- C52 H48 Cd2 N4 O4 S8 -","- C52 H48 Cd2 N4 O4 S8 -","- C104 H96 Cd4 N8 O8 S16 -","2","0.5","NC2254","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Valarmathi, P.; Thirumaran, S.","Bis(μ-N-benzyl-N-furfuryldithiocarbamato)-1:2κ^3^S,S':S';2:1κ^3^S,S':S'-bis[(N-benzyl-N-furfuryldithiocarbamato-κ^2^S,S')cadmium]","Acta Crystallographica Section E","2012","68","1","m12","m13","10.1107/S1600536811051348","","","0.71073","MoKα","","0.0375","0.0289","","","0.0633","0.0673","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233254","17.7065","0.0007","8.7806","0.0006","20.6171","0.0008","90","","122.276","0.005","90","","2710.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Bis(4-methylpiperazine-1-carbodithioato- κ^2^S,S')bis(pyridine-κN)cadmium","","- C22 H32 Cd N6 S4 -","- C22 H32 Cd N6 S4 -","- C88 H128 Cd4 N24 S16 -","4","0.5","NC2258","Valarmathi, P.; Thirumaran, S.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","cis-Bis(4-methylpiperazine-1-carbodithioato-κ^2^S,S')bis(pyridine-κN)cadmium","Acta Crystallographica Section E","2012","68","1","m89","","10.1107/S1600536811054791","","","0.71073","MoKα","","0.0333","0.0261","","","0.0525","0.0567","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233255","12.386","0.0016","6.8331","0.0008","24.113","0.003","90","","97.05","0.003","90","","2025.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexyl[4-(dimethylamino)phenyl]phosphine selenide","","- C20 H32 N P Se -","- C20 H32 N P Se -","- C80 H128 N4 P4 Se4 -","4","1","NC2259","Phasha, Zanele H.; Makhoba, Sizwe; Muller, Alfred","Dicyclohexyl[4-(dimethylamino)phenyl]phosphine selenide","Acta Crystallographica Section E","2012","68","1","o243","","10.1107/S1600536811054006","","","0.71073","MoKα","","0.0338","0.0244","","","","0.0629","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233256","9.3483","0.0007","10.2256","0.0009","10.908","0.0009","71.832","0.005","88.309","0.005","78.248","0.005","969.32","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3'-[Hydroxy(4-oxo-4H-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'- pyrrolidine]-3'-carbonitrile","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C46 H38 N6 O8 -","2","1","NK2121","Govindan, E.; SakthiMurugesan, K.; SubbiahPandi, A.; Yuvaraj, P.; Reddy, Boreddy S. R.","3'-[Hydroxy(4-oxo-4H-chromen-3-yl)methyl]-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","Acta Crystallographica Section E","2012","68","1","o136","o137","10.1107/S1600536811053098","","","0.71073","MoKα","","0.0659","0.0389","","","0.0903","0.1061","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233257","9.0521","0.0013","9.0521","0.0013","52.47","0.011","90","","90","","120","","3723.4","1.1","188","2","188","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","catena-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^O:O')- zinc-μ-(2-phenylbenzimidazolido-κ^2^N:N']","","- C22 H27 N5 O6 Zn2 -","- C22 H27 N5 O6 Zn2 -","- C132 H162 N30 O36 Zn12 -","6","1","NK2124","Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M.","catena-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^O:O')-zinc-μ-(2-phenylbenzimidazolido-κ^2^N:N']","Acta Crystallographica Section E","2012","68","1","m59","m60","10.1107/S1600536811053177","","","0.71073","MoKα","","0.0318","0.0287","","","0.0575","0.0586","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233258","7.4655","0.0002","13.682","0.0004","10.5348","0.0003","90","","109.38","0.001","90","","1015.08","0.05","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5',11'-Dihydrodispiro[cyclohexane-1,6'-indolo[3,2-b]carbazole-12',1''-cyclohexane]","","- C28 H30 N2 -","- C28 H30 N2 -","- C56 H60 N4 -","2","0.5","NK2127","Guzei, Ilia A.; Spencer, Lara C.; Codner, Eric; Boehm, Joshua M.","5',11'-Dihydrodispiro[cyclohexane-1,6'-indolo[3,2-b]carbazole-12',1''-cyclohexane]","Acta Crystallographica Section E","2012","68","1","o1","o2","10.1107/S1600536811051208","","","1.54178","CuKα","","0.0418","0.0411","","","0.1121","0.113","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233259","11.926","0.005","11.025","0.005","18.508","0.005","90","","97.271","0.005","90","","2413.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methoxybenzenesulfonamide","","- C23 H26 F N3 O6 S -","- C23 H26 F N3 O6 S -","- C92 H104 F4 N12 O24 S4 -","4","1","PK2365","Vinduvahini, M.; Jeyaseelan, S.; Shylajakumari, J.; Revanasiddappa, H. D.; Devaru, Venkatesh B.","N-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o194","o195","10.1107/S1600536811053980","","","0.71073","MoKα","","0.054","0.0405","","","0.1132","0.1207","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233260","9.7545","0.0005","15.0283","0.0008","10.4785","0.0005","90","","94.064","0.003","90","","1532.22","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(morpholin-4-ium) tetrachloridocobalt(II)","","- C8 H20 Cl4 Co N2 O2 -","- C8 H20 Cl4 Co N2 O2 -","- C32 H80 Cl16 Co4 N8 O8 -","4","1","PK2366","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Lee, Gene-Hsiang; Wen, Yuh-Sheng; Peng, Shie-Ming","Bis(morpholin-4-ium) tetrachloridocobalt(II)","Acta Crystallographica Section E","2012","68","1","m51","","10.1107/S1600536811053128","","","0.71073","MoKα","","0.0531","0.0302","","","0.0523","0.0586","","","","","","0.886","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233261","9.6237","0.0007","6.6547","0.0004","12.0503","0.0008","90","","105.794","0.002","90","","742.6","0.09","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-Acetyl-3-[(R)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","PK2367","Wang, Yifeng; Chen, Ruxiang; Li, Zhaobo; Xu, Danqian","(S)-3-Acetyl-3-[(R)-1-(4-bromophenyl)-2-nitroethyl]oxolan-2-one","Acta Crystallographica Section E","2012","68","1","o110","","10.1107/S1600536811051725","","","0.71073","MoKα","","0.0876","0.0328","","","0.0655","0.1039","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233262","12.218","0.004","12.339","0.004","16.983","0.005","90","","95.651","0.005","90","","2547.9","1.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,4,6-Trimethylphenyl)boronic acid‒triphenylphosphine oxide (1/1)","","- C27 H28 B O3 P -","- C27 H28 B O3 P -","- C108 H112 B4 O12 P4 -","4","1","PK2368","Roşca, Sorin; Olaru, Marian; Raţ, Ciprian I.","(2,4,6-Trimethylphenyl)boronic acid‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section E","2012","68","1","o31","","10.1107/S1600536811051609","","","0.71073","MoKα","","0.102","0.083","","","","0.186","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233263","8.8461","0.0001","29.1869","0.0005","20.6963","0.0003","90","","93.578","0.001","90","","5333.17","0.13","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(tetraphenylphosphonium) bis[N-(trifluoromethylsulfonyl)dithiocarbimato(2-)- κ^2^S,S']zincate(II)","","- C52 H40 F6 N2 O4 P2 S6 Zn -","- C52 H40 F6 N2 O4 P2 S6 Zn -","- C208 H160 F24 N8 O16 P8 S24 Zn4 -","4","1","PK2371","Pinto, Paula S.; Rubinger, Mayura M. M.; Guilardi, Silvana; Paixão, Drielly A.; Oliveira, Marcelo R. L.","Bis(tetraphenylphosphonium) bis[N-(trifluoromethylsulfonyl)dithiocarbimato(2{-})-κ^2^S,S']zincate(II)","Acta Crystallographica Section E","2012","68","1","m33","m34","10.1107/S160053681105207X","","","0.71073","MoKα","","0.0857","0.0578","","","","0.1689","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233264","8.6206","0.001","8.8748","0.001","17.799","0.002","90","","94.972","0.001","90","","1356.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-4-Chloro-N-[4-(methylsulfonyl)benzylidene]aniline","","- C14 H12 Cl N O2 S -","- C14 H12 Cl N O2 S -","- C56 H48 Cl4 N4 O8 S4 -","4","1","PK2372","Chen, Yue-Hu; Wang, Fang; Li, Guo-Qiang; Qian, Shao-Song","(E)-4-Chloro-N-[4-(methylsulfonyl)benzylidene]aniline","Acta Crystallographica Section E","2012","68","1","o166","","10.1107/S160053681105361X","","","0.71073","MoKα","","0.0527","0.0384","","","0.0988","0.1104","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233265","8.226","0.002","9.282","0.003","9.744","0.003","92.124","0.005","104.766","0.005","105.294","0.004","689.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C28 H28 Cl2 N6 O2 -","2","1","PK2373","Helliwell, Madeleine; Baradarani, Mehdi M.; Alyari, Maryam; Afghan, Arash; Joule, John A.","2-(4-Chloro-3,3,7-trimethyl-2,3-dihydro-1H-indol-2-ylidene)-2-cyanoacetamide","Acta Crystallographica Section E","2012","68","1","o234","","10.1107/S1600536811053918","","","0.71073","MoKα","","0.113","0.0653","","","0.1173","0.132","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233266","9.0727","0.0006","6.253","0.0004","7.415","0.0005","90","","116.739","0.004","90","","375.68","0.04","293","2","293","2","","","","","","","Mapimi, Durango, Mexico","6","C 1 2/m 1","-C 2y","12","Lotharmeyerite","calcium bis(zinc/manganese) bis(arsenate) bis(hydroxide/hydrate)","Lotharmeyerite","- As2 Ca H3 Mn0.976 O10 Zn1.024 -","- As2 Ca H3 Mn0.976 O10 Zn1.024 -","- As4 Ca2 H6 Mn1.952 O20 Zn2.048 -","2","0.25","PK2375","Yang, Yongbo W.; Evans, Stanley H.; Downs, Robert T.; Yang, Hexiong","Lotharmeyerite, Ca(Zn,Mn)~2~(AsO~4~)~2~(H~2~O,OH)~2~","Acta Crystallographica Section E","2012","68","1","i9","i10","10.1107/S1600536811054286","","","0.71073","MoKα","","0.0241","0.0188","","","0.0395","0.0448","","","","","","0.907","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2233267","6.4514","0.0006","7.0287","0.0007","23.847","0.002","90","","95.967","0.009","90","","1075.48","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(Dimethylamino)methyl]phenyl}tellurenyl chloride","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^N,C^1^}tellurium","","- C9 H12 Cl N Te -","- C9 H12 Cl N Te -","- C36 H48 Cl4 N4 Te4 -","4","1","PK2376","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Chlorido{2-[(dimethylamino)methyl]phenyl-κ^2^N,C^1^}tellurium","Acta Crystallographica Section E","2012","68","1","o214","","10.1107/S1600536811054328","","","0.71073","MoKα","","0.0544","0.0429","","","0.0932","0.0961","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233268","8.616","0.009","9.69","0.011","18.29","0.02","90","","97.631","0.011","90","","1513","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","PK2377","Yang, Zhong-Ming; Su, Deng-Cheng; Zhu, Hai-Liang","(E)-4-[(3,5-Dimethylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","1","o220","","10.1107/S1600536811054407","","","0.71073","MoKα","","0.0984","0.0464","","","0.12","0.1397","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233269","13.077","0.003","7.939","0.0016","16.673","0.003","90","","101.95","0.03","90","","1693.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","PV2487","Liu, Hua Quan; Tang, Wei; Wang, De Cai; Ou-yang, Ping Kai","6-Chloro-1-methylindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o14","","10.1107/S1600536811051294","","","0.71073","MoKα","","0.0516","0.0397","","","0.1098","0.1184","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233270","3.99","0.0008","9.862","0.002","10.006","0.002","61.57","0.03","83.84","0.03","87.45","0.03","344.24","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Bromo-N-methylpyrimidin-2-amine","","- C5 H6 Br N3 -","- C5 H6 Br N3 -","- C10 H12 Br2 N6 -","2","1","PV2488","Yang, Qi; Xu, Ning; Zhu, Kai; Lv, Xiaoping; Han, Ping-fang","5-Bromo-N-methylpyrimidin-2-amine","Acta Crystallographica Section E","2012","68","1","o111","","10.1107/S1600536811051531","","","0.71073","MoKα","","0.1171","0.0556","","","0.0882","0.1004","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233271","7.9905","0.0002","22.2076","0.0006","15.7378","0.0004","90","","102.913","0.002","90","","2722.04","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]- 1H-indol-3-yl}prop-2-en-1-one","","- C30 H22 N2 O7 S2 -","- C30 H22 N2 O7 S2 -","- C120 H88 N8 O28 S8 -","4","1","PV2489","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","(E)-3-(2-Nitrophenyl)-1-{1-phenylsulfonyl-2-[(phenylsulfonyl)methyl]-1H-indol-3-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o9","","10.1107/S1600536811051026","","","0.71073","MoKα","","0.0847","0.0577","","","0.1614","0.1859","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233272","7.2464","0.0014","14.416","0.003","21.27","0.004","90","","90","","90","","2222","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-nitrobiphenyl","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","PV2490","Chao, Xuqiang; Zhang, Xiuqin; Wang, Kai; Ji, Jun; Chen, Qiang","4-Methoxy-3-nitrobiphenyl","Acta Crystallographica Section E","2012","68","1","o114","","10.1107/S1600536811052846","","","0.71073","MoKα","","0.0561","0.0473","","","0.1279","0.134","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233273","7.489","0.0015","14.825","0.003","7.314","0.0015","90","","90.27","0.03","90","","812","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-methylindoline-2,3-dione","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","PV2493","Yu, Jian Guang; Tang, Wei; Wang, De Cai; Xu, Hong","4-Chloro-1-methylindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o219","","10.1107/S1600536811054171","","","0.71073","MoKα","","0.1042","0.0599","","","0.1317","0.1545","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233274","6.6986","0.0015","10.6222","0.0014","23.989","0.004","90","","90","","90","","1706.9","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1H-imidazol-3-ium dicyanidoargentate","","- C13 H20 Ag Br N4 -","- C13 H20 Ag Br N4 -","- C52 H80 Ag4 Br4 N16 -","4","1","QK2020","Mallah, Eyad; Sweidan, Kamal; Abu-Salem, Qutaiba; Abu Dayyih, Wael; Steimann, Manfred","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1H-imidazol-3-ium dicyanidoargentate","Acta Crystallographica Section E","2012","68","1","m17","","10.1107/S1600536811051828","","","0.71073","MoKα","","0.1664","0.0517","","","0.066","0.0823","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233275","11.9828","0.0012","30.802","0.003","9.5516","0.0011","90","","105.895","0.006","90","","3390.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimethylammonium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","","- C13 H14 N6 O9 -","- C13 H14 N6 O9 -","- C104 H112 N48 O72 -","8","2","QK2022","Kalaivani, D.; Buvaneswari, M.; Rajeswari, S.","Trimethylammonium 2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2012","68","1","o29","o30","10.1107/S1600536811051610","","","0.71073","MoKα","","0.064","0.0455","","","0.1111","0.1229","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233276","9.6973","0.0002","12.2804","0.0002","22.8523","0.0004","90.588","0.002","101.573","0.002","110.687","0.002","2484.39","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N-Ethyl-N-phenyldithiocarbamato-κS)triphenyltin(IV)","","- C27 H25 N S2 Sn -","- C27 H25 N S2 Sn -","- C108 H100 N4 S8 Sn4 -","4","2","QM2044","Kamaludin, Nurul Farahana; Baba, Ibrahim; Awang, Normah; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(N-Ethyl-N-phenyldithiocarbamato-κS)triphenyltin(IV)","Acta Crystallographica Section E","2012","68","1","m62","m63","10.1107/S1600536811053591","","","0.71073","MoKα","","0.0253","0.0217","","","0.0531","0.0551","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233277","7.9063","0.0016","10.212","0.002","12.147","0.002","94.68","0.03","104.33","0.03","92.98","0.03","944.4","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-\ 1':1κ^3^O:O,O';1:1''κ^3^O,O':O] 2,2'-bipyridine hemisolvate]","","- C19 H16 Ca F2 N O6 -","- C19 H16 Ca F2 N O6 -","- C38 H32 Ca2 F4 N2 O12 -","2","1","RK2307","Zhang, Bi-Song; Lin, Jian-Li; Jin, Xiu-Fang; Huang, Rong; Luo, Ling-Ling","catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1':1κ^3^O:O,O';1:1''κ^3^O,O':O] 2,2'-bipyridine hemisolvate]","Acta Crystallographica Section E","2012","68","1","m55","m56","10.1107/S1600536811053311","","","0.71073","MoKα","","0.1053","0.0605","","","0.1412","0.214","","","","","","1.169","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233278","11.691","0.0017","18.786","0.003","11.7305","0.0015","90","","90","","90","","2576.3","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","rac-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]- 4,5-dihydropyrano[3,2-c]chromene-3,4-dicarboxylate","","- C26 H33 N O7 -","- C26 H33 N O7 -","- C104 H132 N4 O28 -","4","1","RK2310","Inglebert, S. Antony; Sethusankar, K.; Arun, Yuvaraj; Perumal, Paramasivam T.","rac-Diethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-c]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","1","o112","","10.1107/S1600536811051786","","","0.71073","MoKα","","0.0847","0.0488","","","0.1197","0.1477","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233279","11.5161","0.0002","11.6531","0.0002","16.3216","0.0003","90","","102.403","0.001","90","","2139.21","0.07","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]","","- C44 H34 Fe N8 O10 S4 -","- C44 H34 Fe N8 O10 S4 -","- C88 H68 Fe2 N16 O20 S8 -","2","0.5","RK2316","Shan, Jie-Jie; Chai, Sheng-Yuan; Feng, Yun-Long","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}]","Acta Crystallographica Section E","2012","68","1","m28","","10.1107/S1600536811052287","","","0.71073","MoKα","","","0.0466","","","0.1106","0.1258","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233280","18.1345","0.0006","18.1345","0.0006","17.1405","0.0011","90","","90","","90","","5636.8","0.4","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","","- C33 H26 N6 O2 -","- C33 H26 N6 O2 -","- C264 H208 N48 O16 -","8","2","RK2320","Pramanik, Avijit; Russ, Tiffany H.; Powell, Douglas R.; Hossain, Md. Alamgir","3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methylenebis(4,1-phenylene)]diurea","Acta Crystallographica Section E","2012","68","1","o158","o159","10.1107/S1600536811053220","","","0.71073","MoKα","","0.065","0.046","","","0.096","0.104","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233281","11.5474","0.001","8.3776","0.0007","14.8801","0.0013","90","","93.607","0.001","90","","1436.6","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,9,10‒trimethoxydibenzo[b,d]oxepin‒7(6H)‒one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","RK2322","Hou, Yan-Jun; Song, Shu-Lin; Chu, Wen-Yi; Sun, Zhi-Zhong","2,9,10-Trimethoxydibenzo[b,d]oxepin-7(6H)-one","Acta Crystallographica Section E","2012","68","1","o204","","10.1107/S1600536811053803","","","0.71073","MoKα","","0.0635","0.0436","","","0.1152","0.1269","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233282","7.4877","0.0008","6.753","0.0007","12.6615","0.0013","90","","90","","90","","640.22","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,6-Dimethyl-1,2,4-triazin-3-amine","","- C5 H8 N4 -","- C5 H8 N4 -","- C20 H32 N16 -","4","0.5","RN2097","Wu, Man-Hua; Qiu, Qi-Ming; Gao, Sen; Jin, Qiong-Hua; Zhang, Cun-Lin","5,6-Dimethyl-1,2,4-triazin-3-amine","Acta Crystallographica Section E","2012","68","1","o39","","10.1107/S1600536811051920","","","0.71073","MoKα","","0.0722","0.0483","","","0.1319","0.1567","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233283","9.69","0.005","10.62","0.005","21.692","0.012","90","","90.682","0.01","90","","2232","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl- 3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C100 H96 N8 O12 S4 -","4","1","RN2098","Chen, Xiao-Yan; Wang, Han-Chu; Zhang, Qian; Song, Zhi-Jian; Zheng, Fei-Yun","(Z)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","1","o127","","10.1107/S1600536811052925","","","0.71073","MoKα","","0.0705","0.0502","","","0.137","0.155","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233284","9.4321","0.0011","9.4321","0.0011","15.75","0.004","90","","90","","120","","1213.5","0.4","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","Silver diaquacobalt(II) catena-borodiphosphate(V) hydrate","","- Ag0.79 B Co1.11 H5.33 O10.67 P2 -","- Ag0.784 B Co1.1082 H5.34 O10.67 P2 -","- Ag4.704 B6 Co6.6492 H32.04 O64.02 P12 -","6","0.5","RU2019","Zouihri, Hafid; Saadi, Mohamed; Jaber, Boujemaa; El Ammari, Lehcen","Silver diaquacobalt(II) catena-borodiphosphate(V) hydrate, (Ag~0.79~Co~0.11~)Co(H~2~O)~2~[BP~2~O~8~]·0.67H~2~O","Acta Crystallographica Section E","2012","68","1","i3","i4","10.1107/S1600536811052020","","","0.71073","MoKα","","0.0629","0.0402","","","0.0843","0.093","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233285","10.362","0.002","12.178","0.003","10.468","0.002","90","","91.666","0.002","90","","1320.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N'-(4-Hydroxybenzylidene)-3-nitrobenzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","RZ2676","Meng, Xu-Feng; Wang, Dong-Yue; Ma, Jing-Jun","(E)-N'-(4-Hydroxybenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","1","o20","","10.1107/S1600536811051233","","","0.71073","MoKα","","0.0661","0.0432","","","0.1122","0.1287","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233286","6.2344","0.0012","7.7725","0.0016","9.7071","0.0019","99.56","0.03","92.49","0.03","92.84","0.03","462.64","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(E)-3,3'-(Diazene-1,2-diyl)bis(1-methyl-1,4,5,6- tetrahydropyrrolo[3,4-c]pyrazol-5-ium) dinitrate dihydrate","","- C12 H22 N10 O8 -","- C12 H22 N10 O8 -","- C12 H22 N10 O8 -","1","0.5","RZ2680","Chen, Jin-Mei; Zhao, Hong","(E)-3,3'-(Diazene-1,2-diyl)bis(1-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium) dinitrate dihydrate","Acta Crystallographica Section E","2012","68","1","o151","","10.1107/S1600536811053347","","","0.71073","MoKα","","0.0598","0.0483","","","0.1238","0.1305","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233287","6.0816","0.0007","25.997","0.003","10.9061","0.0012","90","","100.866","0.002","90","","1693.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)ethanone","","- C21 H16 F2 O2 -","- C21 H16 F2 O2 -","- C84 H64 F8 O8 -","4","1","RZ2681","Fun, Hoong-Kun; Hemamalini, Madhukar; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)ethanone","Acta Crystallographica Section E","2012","68","1","o163","","10.1107/S1600536811053037","","","0.71073","MoKα","","0.0881","0.0496","","","0.1414","0.1673","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233288","8.5197","0.0011","9.5225","0.0012","22.871","0.003","90","","90","","90","","1855.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C88 H72 F8 O12 -","4","1","RZ2682","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","Acta Crystallographica Section E","2012","68","1","o172","","10.1107/S160053681105344X","","","0.71073","MoKα","","0.0825","0.0565","","","0.1511","0.1705","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233289","10.5648","0.0007","24.0246","0.0017","10.4561","0.0007","90","","90.253","0.001","90","","2653.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis(acetonitrile-κN)bis(2,2'-bipyridine- κ^2^N,N')ruthenium(II) tetrafluoridoborate","","- C24 H22 B2 F8 N6 Ru -","- C24 H22 B2 F8 N6 Ru -","- C96 H88 B8 F32 N24 Ru4 -","4","1","RZ2684","Wang, Ying; Xu, Feng; Huang, Wei","cis-Bis(acetonitrile-κN)bis(2,2'-bipyridine-κ^2^N,N')ruthenium(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","1","m68","","10.1107/S1600536811053864","","","0.71073","MoKα","","0.0647","0.0458","","","0.1118","0.1205","","","","","","0.947","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233290","10.764","0.0004","10.728","0.0004","23.2314","0.0009","90","","90.597","0.002","90","","2682.53","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-trimethylsilanolato-κ^2^O:O)bis{[2-(2H- benzotriazol-2-yl)-4,6-di-tert-pentylphenolato- κ^2^N,O]zinc}","","- C50 H74 N6 O4 Si2 Zn2 -","- C50 H74 N6 O4 Si2 Zn2 -","- C100 H148 N12 O8 Si4 Zn4 -","2","0.5","RZ2685","Lee, Hwi Hyun; Go, Min Jeong; Park, Ka Hyun; Kim, Youngjo; Lee, Junseong","Bis(μ-trimethylsilanolato-κ^2^O:O)bis{[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato-κ^2^N,O]zinc}","Acta Crystallographica Section E","2012","68","1","m87","","10.1107/S1600536811054134","","","0.71073","MoKα","","0.0685","0.0394","","","0.0896","0.1083","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233291","8.986","0.007","7.041","0.006","33.68","0.03","90","","90","","90","","2131","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","","- C9 H8 N2 O8 -","- C9 H8 N2 O8 -","- C72 H64 N16 O64 -","8","1","RZ2687","Zhang, You-Ming; Ming, Jian-Jun; Dang, Jian-Peng; Zhang, Wan-Qiang; Wei, Tai-Bao","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o230","","10.1107/S160053681105416X","","","0.71073","MoKα","","0.0581","0.0476","","","0.1035","0.109","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233292","8.0396","0.0002","11.1512","0.0003","15.5723","0.0003","87.454","0.001","83.378","0.001","87.995","0.001","1384.76","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,2',5,5'-Tetrachloro-N,N'-diethyl-N,N'- [benzene-1,3-diylbis(methylene)]dibenzenesulfonamide","","- C24 H24 Cl4 N2 O4 S2 -","- C24 H24 Cl4 N2 O4 S2 -","- C48 H48 Cl8 N4 O8 S4 -","2","1","SU2337","Ejaz; Khan, Islam Ullah; Sheikh, Tahir Ali; Harrison, William T. A.","2,2',5,5'-Tetrachloro-N,N'-diethyl-N,N'-[benzene-1,3-diylbis(methylene)]dibenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o15","","10.1107/S1600536811045326","","","0.71073","MoKα","","0.0495","0.0358","","","0.0914","0.1017","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233293","7.7383","0.0002","20.7319","0.0005","11.946","0.0003","90","","116.869","0.001","90","","1709.59","0.08","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{1-[(2-Nitrobenzenesulfonamido)methyl]cyclohexyl}acetic acid","","- C15 H20 N2 O6 S -","- C15 H20 N2 O6 S -","- C60 H80 N8 O24 S4 -","4","1","SU2343","Kanwal, Nosheen; Akbar Hussain, Erum; Şahin, Onur; Büyükgüngör, Orhan","2-{1-[(2-Nitrobenzenesulfonamido)methyl]cyclohexyl}acetic acid","Acta Crystallographica Section E","2012","68","1","o86","","10.1107/S160053681105224X","","","0.71073","MoKα","","0.0573","0.0397","","","0.0972","0.1098","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233294","8.552","0.0017","10.355","0.002","16.361","0.003","92.85","0.03","100.52","0.03","95.25","0.03","1415.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3- methoxyphenyl)prop-2-en-1-one","","- C29 H30 Br2 N2 O3 -","- C29 H30 Br2 N2 O3 -","- C58 H60 Br4 N4 O6 -","2","1","SU2344","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o122","","10.1107/S1600536811052123","","","0.71073","MoKα","","0.2059","0.0774","","","0.1128","0.1449","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233295","16.5265","0.0005","10.3242","0.0003","12.6433","0.0004","90","","104.796","0.001","90","","2085.71","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol","","- C19 H18 Cl4 N2 O2 -","- C19 H18 Cl4 N2 O2 -","- C76 H72 Cl16 N8 O8 -","4","1","SU2348","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","1","o142","","10.1107/S1600536811053438","","","0.71073","MoKα","","0.0691","0.0418","","","0.104","0.1187","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233296","8.0166","0.0003","10.089","0.0004","11.9838","0.0005","110.069","0.004","96.236","0.003","109.076","0.003","833.36","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2- carboxylato)indium(III)] tetrahydrate","","- C28 H26 In2 N4 O22 -","- C28 H26 In2 N4 O22 -","- C28 H26 In2 N4 O22 -","1","0.5","SU2349","Eshtiagh-Hosseini, H.; Mirzaei, M.; Mousavinezhad, A.; Necas, M.; Mague, J. T.","Bis(μ-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2-carboxylato)indium(III)] tetrahydrate","Acta Crystallographica Section E","2012","68","1","m71","m72","10.1107/S1600536811053566","","","0.71073","MoKα","","0.0176","0.0155","","","0.0389","0.0394","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233297","16.6817","0.0008","8.2872","0.0004","23.7289","0.0012","90","","105.582","0.001","90","","3159.8","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Acridin-10-ium 6-carboxypyridine-2-carboxylate","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C160 H112 N16 O32 -","8","1","SU2350","Ha, Kwang","Acridin-10-ium 6-carboxypyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","1","o196","","10.1107/S1600536811053578","","","0.71073","MoKα","","0.1091","0.0507","","","0.1064","0.1403","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233298","13.8883","0.0003","13.8883","0.0003","6.9126","0.0002","90","","90","","90","","1333.34","0.06","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","5,5-dichlorobarbituric acid","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C32 H16 Cl16 N16 O24 -","8","1","SU2351","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Tetragonal polymorph of 5,5-dichlorobarbituric acid","Acta Crystallographica Section E","2012","68","1","o235","o236","10.1107/S1600536811054626","","","0.71073","MoKα","","0.0216","0.0198","","","0.0488","0.0495","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233299","6.1835","0.0002","4.597","0.0002","23.8487","0.001","90","","96.08","0.004","90","","674.1","0.05","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","0.5","TK5026","Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S.","1,2-Bis[(1,3-benzodioxol-5-yl)methylidene]hydrazine","Acta Crystallographica Section E","2012","68","1","o7","","10.1107/S1600536811050793","","","0.71073","MoKα","","0.0552","0.0427","","","0.1103","0.1183","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233300","7.1273","0.0002","26.6676","0.0007","7.5428","0.0002","90","","101.652","0.002","90","","1404.1","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Bromophenyl)-3,5-dinitrobenzamide","","- C13 H8 Br N3 O5 -","- C13 H8 Br N3 O5 -","- C52 H32 Br4 N12 O20 -","4","1","TK5029","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","N-(4-Bromophenyl)-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o26","","10.1107/S1600536811051464","","","0.71073","MoKα","","0.0491","0.0345","","","0.0914","0.1082","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233301","11.9806","0.0006","9.8955","0.0004","12.5562","0.0007","90","","114.992","0.007","90","","1349.21","0.14","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E,4E)-1-(3-Nitrophenyl)-5-phenylpenta-1,4-dien-3-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","TK5031","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Sarojini, B. K.; Yathirajan, H. S.","(1E,4E)-1-(3-Nitrophenyl)-5-phenylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","1","o74","o75","10.1107/S1600536811052548","","","0.71073","MoKα","","0.0965","0.055","","","0.1076","0.1276","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233302","15.1094","0.0008","24.4445","0.0011","7.0368","0.0004","90","","109.908","0.006","90","","2443.7","0.2","123","","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2E)-2-[(3E)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","TK5032","Samshuddin, S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.","(2E)-2-[(3E)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","1","o76","o77","10.1107/S160053681105255X","","","0.71073","MoKα","","0.0673","0.0554","","","0.1659","0.1763","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233303","8.8694","0.0006","10.3837","0.0008","10.4288","0.0005","103.862","0.005","96.452","0.005","114.949","0.007","820.25","0.11","290","4","290","4","","","","","","","","7","P -1","-P 1","2","","2-Chloro-N-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide","","- C14 H10 Cl2 I N O3 S -","- C14 H10 Cl2 I N O3 S -","- C28 H20 Cl4 I2 N2 O6 S2 -","2","1","TK5034","Wang, Dao-Cai; Song, Hang; Yang, Chang; Huang, Wen-Cai; Yao, Shun","2-Chloro-N-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide","Acta Crystallographica Section E","2012","68","1","o189","","10.1107/S1600536811053633","","","0.7107","MoKα","","0.0341","0.0284","","","0.0636","0.0672","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233304","15.9747","0.0004","7.3309","0.0002","8.7451","0.0002","90","","103.729","0.003","90","","994.87","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","adipic acid‒nicotinohydrazide (1/2)","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","TK5035","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Form II of adipic acid‒nicotinohydrazide (1/2)","Acta Crystallographica Section E","2012","68","1","o190","","10.1107/S1600536811054043","","","0.71073","MoKα","","","0.0291","","","","0.0768","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233305","7.71685","0.00014","29.2344","0.0005","11.5567","0.0002","90","","102.879","0.001","90","","2541.57","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-1-yl](2,4,6- trimethylphenyl)methanone","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","1","VM2138","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(2,4,6-trimethylbenzoyl)naphthalen-1-yl](2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2012","68","1","o23","","10.1107/S1600536811051579","","","1.54187","CuKα","","0.0452","0.0413","","","0.1167","0.1205","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233306","10.5","0.0012","14.6109","0.0016","15.7391","0.0017","90","","131.85","0.002","90","","1798.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(formato-κO)bis[1-(pyridin-2-yl)ethanone oxime-κ^2^N,N']nickel(II)","","- C16 H18 N4 Ni O6 -","- C16 H18 N4 Ni O6 -","- C64 H72 N16 Ni4 O24 -","4","1","VM2139","Li, Leilei; Qiu, Xiumin; Li, Dacheng","Bis(formato-κO)bis[1-(pyridin-2-yl)ethanone oxime-κ^2^N,N']nickel(II)","Acta Crystallographica Section E","2012","68","1","m2","","10.1107/S1600536811050859","","","0.71073","MoKα","","0.0728","0.0491","","","0.1207","0.1373","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233307","8.3368","0.001","12.6763","0.0017","18.71","0.002","90","","102.466","0.002","90","","1930.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(dimethyl sulfoxide-κO)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^S,S')nickelate(II)","","- C20 H36 N4 Ni2 O6 S10 -","- C20 H36 N4 Ni2 O6 S10 -","- C40 H72 N8 Ni4 O12 S20 -","2","0.5","VM2141","Niu, Meiju; Fan, Shumei; Liu, Guihua","Hexakis(dimethyl sulfoxide-κO)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^S,S')nickelate(II)","Acta Crystallographica Section E","2012","68","1","m67","","10.1107/S1600536811053827","","","0.71073","MoKα","","0.0685","0.0382","","","0.0784","0.0952","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233308","5.26","0.003","18.528","0.01","8.077","0.004","90","","103.707","0.006","90","","764.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(5-methyl-1,2-oxazole-3-carboxylato- κ^2^N,O^3^)cobalt(II) dihydrate","","- C10 H16 Co N2 O10 -","- C10 H16 Co N2 O10 -","- C20 H32 Co2 N4 O20 -","2","0.5","VM2142","Wang, Yan; Zhao, Jing","Diaquabis(5-methyl-1,2-oxazole-3-carboxylato-κ^2^N,O^3^)cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","1","m69","","10.1107/S1600536811053414","","","0.71073","MoKα","","0.0323","0.0283","","","0.0745","0.0778","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233309","8.1961","0.0011","14.2224","0.0019","17.365","0.002","90","","98.34","0.002","90","","2002.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloridobis(dimethylglyoximato-κ^2^N,N')(ethyl pyridine-3-carboxylate-κN)cobalt(III)","","- C16 H23 Cl Co N5 O6 -","- C16 H23 Cl Co N5 O6 -","- C64 H92 Cl4 Co4 N20 O24 -","4","1","VN2023","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^N,N')(ethyl pyridine-3-carboxylate-κN)cobalt(III)","Acta Crystallographica Section E","2012","68","1","m20","","10.1107/S1600536811051397","","","0.71073","MoKα","","0.0332","0.0284","","","0.0736","0.0755","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233310","11.757","0.002","18.297","0.004","13.223","0.003","90","","103.91","0.03","90","","2761.1","1.1","173.5","","173.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Ag N6 O11 -","- C31 H15 Ag N6 O11 -","- C124 H60 Ag4 N24 O44 -","4","1","VN2025","Wang, Shen-Tang; Che, Guang-Bo; Liu, Chun-Bo; Wang, Xing; Liu, Ling","Bis(1,10-phenanthroline-5,6-dione-κ^2^N,N')silver(I) 2-hydroxy-3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","1","m76","","10.1107/S1600536811053785","","","0.71073","MoKα","","0.1065","0.0829","","","0.1504","0.1633","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233311","13.0387","0.0009","26.6742","0.0019","4.2351","0.0003","90","","90","","90","","1472.95","0.18","293","2","293","2","","","","","","","","3","P n n m","-P 2 2n","58","caesium samarium(III) selenide","tricaesium heptasamarium(III) dodecaselenide","","- Cs3 Se12 Sm7 -","- Cs3 Se12 Sm7 -","- Cs6 Se24 Sm14 -","2","0.25","WM2561","Schneck, Christof; Elbe, Andreas; Schurz, Christian M.; Schleid, Thomas","Cs~3~Sm~7~Se~12~","Acta Crystallographica Section E","2012","68","1","i2","","10.1107/S1600536811051919","","","0.71069","MoKα","","0.0593","0.0346","","","0.0673","0.0724","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233312","5.4654","0.0017","5.4654","0.0017","4.2574","0.0015","90","","90","","120","","110.13","0.06","296","2","296","2","","","","","","","","2","P 6/m m m","-P 6 2","191","","lanthanum pentazinc","","- La Zn5 -","- La Zn5 -","- La Zn5 -","1","0.0416667","WM2565","Oshchapovsky, Igor; Zelinska, Oksana; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Redetermination of LaZn~5~ based on single crystal X-ray diffraction data","Acta Crystallographica Section E","2012","68","1","i1","","10.1107/S1600536811050987","","","0.71073","MoKα","","0.0216","0.0182","","","0.0359","0.0368","","","","","","1.173","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233313","7.4965","0.0006","8.6245","0.0007","10.5247","0.0012","106.649","0.007","98.047","0.007","112.561","0.005","577.53","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(8-aminoquinoline-κ^2^N,N')cadmium]- di-μ-thiocyanato-κ^2^N:S;κ^2^S:N-[(8- aminoquinoline-κ^2^N,N')cadmium]-di-μ-chlorido]","","- C10 H8 Cd Cl N3 S -","- C10 H8 Cd Cl N3 S -","- C20 H16 Cd2 Cl2 N6 S2 -","2","1","WM2567","Xu, Heng; Guo, Chang","catena-Poly[[(8-aminoquinoline-κ^2^N,N')cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N-[(8-aminoquinoline-κ^2^N,N')cadmium]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","1","m3","","10.1107/S1600536811051373","","","0.71073","MoKα","","0.0229","0.0209","","","0.0497","0.0509","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233314","13.3165","0.0002","13.3165","0.0002","7.0845","0.0002","90","","90","","120","","1087.98","0.04","293","2","293","2","","","","","","","Burguillos del Cerro, Badajos, Spain","5","P -3 m 1","-P 3 2""","164","Pyrosmalite-(Fe)","octairon(II) hexasilicate deca(chloride/hydroxide) 0.45-hydrate","Pyrosmalite-(Fe)","- Cl1.855 Fe8 H8.48 O23.585 Si6 -","- Cl1.857 Fe8 H9.025 O23.584 Si6 -","- Cl3.714 Fe16 H18.05 O47.168 Si12 -","2","0.166667","WM2570","Yang, Hexiong; Downs, Robert T.; Yang, Yongbo W.; Allen, Warren H.","Pyrosmalite-(Fe), Fe~8~Si~6~O~15~(OH,Cl)~10~","Acta Crystallographica, Section E: Structure Reports Online","2012","68","1","i7","i8","10.1107/S1600536811052822","","","0.71073","MoKα","","0.0379","0.0232","","","0.0614","0.0678","","","","","","1.05","","","","has coordinates,has Fobs","205491","2020-10-21","18:00:00",""
"2233315","16.236","0.003","12.542","0.002","9.9233","0.0017","90","","90","","90","","2020.7","0.6","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","cis-Dichloridobis(di-2-pyridylamine-κ^2^N,N')manganese(II)","","- C20 H18 Cl2 Mn N6 -","- C20 H18 Cl2 Mn N6 -","- C80 H72 Cl8 Mn4 N24 -","4","1","WM2573","Ha, Kwang","cis-Dichloridobis(di-2-pyridylamine-κ^2^N,N')manganese(II)","Acta Crystallographica Section E","2012","68","1","m45","","10.1107/S1600536811052834","","","0.71073","MoKα","","0.0776","0.0418","","","0.0725","0.092","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233316","6.683","0.001","12.609","0.002","13.469","0.002","90","","99.207","0.01","90","","1120.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H34 N6 O12 S2 Sn -","- C8 H34 N6 O12 S2 Sn -","- C16 H68 N12 O24 S4 Sn2 -","2","0.5","WM2575","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Lebraud, Eric; Guionneau, Philippe","Bis(1,1-dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate)","Acta Crystallographica Section E","2012","68","1","m70","","10.1107/S1600536811053761","","","0.71069","MoKα","","0.0572","0.0335","","","0.0748","0.0844","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233317","10.593","0.006","12.426","0.007","17.099","0.01","90","","90","","90","","2251","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kallolide A acetate pyrazoline","7-methyl-16-oxo-4,10-bis(prop-1-en-2-yl)-17,18-dioxa-14,15- diazatetracyclo[9.4.2.1^6,9^.0^1,12^]octadeca-6,8,14-trien-5-yl acetate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","WN2456","Rodríguez-Escudero, Idaliz; Marrero, Jeffrey; Rodríguez, Abimael D.","Kallolide A acetate pyrazoline","Acta Crystallographica Section E","2012","68","1","o41","o42","10.1107/S1600536811051890","","","0.71073","MoKα","","0.0579","0.0472","","","0.1115","0.1182","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233318","5.8314","0.0003","26.3603","0.0011","13.8558","0.0007","90","","98.623","0.005","90","","2105.8","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]- 2-methylbenzenesulfonamide","","- C22 H24 F N3 O4 S -","- C22 H24 F N3 O4 S -","- C88 H96 F4 N12 O16 S4 -","4","1","WN2460","Jeyaseelan, S.; Vinduvahini, M.; Madaiah, M.; Bhattacharya, Suman; Revanasiddappa, H. D.","N-[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-diazaspiro[4.5]dec-8-yl]-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","1","o105","o106","10.1107/S160053681105269X","","","0.71073","MoKα","","0.0546","0.0431","","","0.1101","0.1142","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233319","7.5458","0.0002","10.9169","0.0004","12.0924","0.0004","101.92","0.002","101.423","0.002","90.484","0.002","954.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazin-2-yl)- 1-phenylethanone","","- C23 H17 N O5 S -","- C23 H17 N O5 S -","- C46 H34 N2 O10 S2 -","2","1","WN2461","Sattar, Nazia; Siddiqui, Hamid Latif; Bukhari, Syed Iftikhar Hussain; Ahmad, Matloob; Parvez, Masood","2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazin-2-yl)-1-phenylethanone","Acta Crystallographica Section E","2012","68","1","o92","","10.1107/S1600536811052615","","","0.71073","MoKα","","0.0538","0.0438","","","0.0993","0.1066","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233320","12.474","0.002","6.4401","0.0012","15.601","0.003","90","","109.188","0.003","90","","1183.7","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-11H-benzo[b]fluoren-11-one","","- C17 H10 O2 -","- C17 H10 O2 -","- C68 H40 O8 -","4","1","XU5365","Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien","1-Hydroxy-11H-benzo[b]fluoren-11-one","Acta Crystallographica Section E","2012","68","1","o16","","10.1107/S160053681104760X","","","0.71073","MoKα","","0.0955","0.0469","","","0.1216","0.1526","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233321","10.485","0.003","8.809","0.002","21.313","0.005","90","","100.628","0.004","90","","1934.7","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1,1-Dicyano-2-(4-fluorophenyl)-3-(1-hexylpyridin-1-ium-4- yl)prop-2-en-1-ide","","- C22 H22 F N3 -","- C22 H22 F N3 -","- C88 H88 F4 N12 -","4","1","XU5392","Hao, Wen-Hui; Wang, Cheng; Qian, Gang; Wang, Zhi-Yuan","(Z)-1,1-Dicyano-2-(4-fluorophenyl)-3-(1-hexylpyridin-1-ium-4-yl)prop-2-en-1-ide","Acta Crystallographica Section E","2012","68","1","o82","","10.1107/S160053681105166X","","","0.71073","MoKα","","0.0747","0.0425","","","0.0737","0.0798","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233322","13.1985","0.0008","15.5714","0.0009","18.1926","0.0011","90","","90","","90","","3738.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~3~-2,4,6- trimethylisophthalato- κ^5^O^1^,O^1'^:O^1^:O^3^,O^3'^)cadmium]","","- C21 H18 Cd N2 O4 -","- C21 H18 Cd N2 O4 -","- C168 H144 Cd8 N16 O32 -","8","1","XU5394","Hou, Shao-Gang; Jin, Mei-Fang","Poly[(2,2'-bipyridine-κ^2^N,N')(μ~3~-2,4,6-trimethylisophthalato-κ^5^O^1^,O^1'^:O^1^:O^3^,O^3'^)cadmium]","Acta Crystallographica Section E","2012","68","1","m84","m85","10.1107/S1600536811054183","","","0.71073","MoKα","","0.0983","0.0449","","","0.0813","0.0981","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233323","8.3532","0.0019","14.865","0.003","13.066","0.003","90","","98.325","0.004","90","","1605.3","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzene-1,3,5-tricarboxylic acid‒5-(4-pyridyl)pyrimidine (1/1)","","- C18 H13 N3 O6 -","- C18 H13 N3 O6 -","- C72 H52 N12 O24 -","4","1","XU5398","Jiang, Yan-Ke; Hou, Gui-Ge","Benzene-1,3,5-tricarboxylic acid‒5-(4-pyridyl)pyrimidine (1/1)","Acta Crystallographica Section E","2012","68","1","o6","","10.1107/S1600536811051075","","","0.71073","MoKα","","0.0826","0.0553","","","0.1179","0.1296","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233324","6.416","0.0005","6.6486","0.0006","13.992","0.0012","89.917","0.001","85.588","0.001","73.676","0.001","570.98","0.08","294","","294","","","","","","","","","5","P -1","-P 1","2","","Poly[[hexaaqua(μ~2~-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)bis(μ~3~-pyridine- 2,4-dicarboxylato- κ^4^N,O^1^:O^1'^:O^4^)dicerium(III)] monohydrate]","","- C16 H20 Ce2 N2 O19 -","- C16 H20 Ce2 N2 O19 -","- C16 H20 Ce2 N2 O19 -","1","0.5","XU5400","Shen, Fwu Ming; Lush, Shie Fu","Poly[[hexaaqua(μ~2~-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^)bis(μ~3~-pyridine-2,4-dicarboxylato-κ^4^N,O^1^:O^1'^:O^4^)dicerium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","1","m21","m22","10.1107/S1600536811051956","","","0.71073","MoKα","","0.0313","0.0279","","","0.0794","0.0809","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233325","8.6487","0.0017","11.689","0.002","12.229","0.002","112.1","0.03","102.3","0.03","97.85","0.03","1086.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquacyanido{6,6'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) acetonitrile hemisolvate","","- C24 H21.5 Co N3.5 O5 -","- C24 H21.5 Co N3.5 O5 -","- C48 H43 Co2 N7 O10 -","2","1","XU5401","Lin, Yang; Hou, Guang-Feng; Li, Guang-Ming; Yan, Peng-Fei","Aquacyanido{6,6'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) acetonitrile hemisolvate","Acta Crystallographica Section E","2012","68","1","m61","","10.1107/S160053681105330X","","","0.71073","MoKα","","0.0697","0.0494","","","0.147","0.1584","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233326","11.3606","0.0004","11.1034","0.0004","8.786","0.0002","90","","96.938","0.002","90","","1100.16","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)ethanol","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","XU5402","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)ethanol","Acta Crystallographica Section E","2012","68","1","o72","","10.1107/S1600536811051798","","","0.71073","MoKα","","0.0616","0.0536","","","0.1329","0.1393","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233327","4.388","0.0004","13.121","0.0011","19.8722","0.0016","90","","90","","90","","1144.14","0.17","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(11aS)-7-Bromo-2,3,5,10,11,11a-hexahydro-1H- pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","XU5404","Ma, Chao; Wang, Zhen-Zhong; Pan, Li; Tian, Yu; Xiao, Wei","(11aS)-7-Bromo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-3,11-dione","Acta Crystallographica Section E","2012","68","1","o126","","10.1107/S1600536811052962","","","0.71073","MoKα","","0.0251","0.0222","","","0.0556","0.0567","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233328","11.5452","0.0002","20.035","0.0005","8.3317","0.0002","90","","105.598","0.002","90","","1856.21","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(2,4-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-1H-benzotriazole","","- C19 H15 Cl2 N3 O2 -","- C19 H15 Cl2 N3 O2 -","- C76 H60 Cl8 N12 O8 -","4","1","XU5406","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","1-[2-(2,4-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-1H-benzotriazole","Acta Crystallographica Section E","2012","68","1","o139","o140","10.1107/S1600536811053104","","","0.71073","MoKα","","0.0596","0.0399","","","0.0936","0.1031","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233329","7.5726","0.0015","7.8114","0.0016","8.9785","0.0018","93.58","0.03","94.65","0.03","97.47","0.03","523.43","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile","","- C12 H6 F2 N2 O2 -","- C12 H6 F2 N2 O2 -","- C24 H12 F4 N4 O4 -","2","1","XU5407","Meng, Fan-Wei; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng","4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2012","68","1","o222","","10.1107/S1600536811054523","","","0.71073","MoKα","","0.0725","0.0426","","","0.1074","0.1183","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233330","10.716","0.002","10.057","0.002","36.101","0.007","90","","90","","90","","3890.6","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Methyl-3,5-dinitrobenzamide","","- C8 H7 N3 O5 -","- C8 H7 N3 O5 -","- C128 H112 N48 O80 -","16","2","XU5409","Deng, Gui-Ming; Wang, Chao-Run; Chen, Zhen; Zhang, He-Ming","N-Methyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o209","","10.1107/S1600536811053888","","","0.71073","MoKα","","0.1502","0.0669","","","0.1338","0.162","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233331","51.6665","0.0008","14.5766","0.0002","11.9316","0.0002","90","","90.965","0.002","90","","8984.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H- 1,5-benzodiazepin-2-one","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C432 H432 N48 O48 -","24","3","XU5411","Rida, Mohamed; Mamari, Khalil; Essassi, El Mokhtar; Ng, Seik Weng","3-Hydroxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2012","68","1","o238","","10.1107/S1600536811054456","","","0.71073","MoKα","","0.0682","0.0522","","","0.1393","0.153","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233332","22.9635","0.0004","7.7447","0.0001","14.7017","0.0003","90","","124.574","0.001","90","","2152.87","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)acetate","","- C10 H13 N5 O2 -","- C10 H13 N5 O2 -","- C80 H104 N40 O16 -","8","1","XU5412","Gueddar, Hicham; Bouhfid, Rachid; Guessous, Ahmed Radouane; Essassi, El Mokhtar; Ng, Seik Weng","Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)acetate","Acta Crystallographica Section E","2012","68","1","o239","","10.1107/S1600536811054468","","","0.71073","MoKα","","0.0877","0.0503","","","0.1198","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233333","31.3411","0.0005","7.8995","0.0001","8.2716","0.0001","90","","90","","90","","2047.87","0.05","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione","","- C11 H8 Br N O2 -","- C11 H8 Br N O2 -","- C88 H64 Br8 N8 O16 -","8","1","XU5413","Maamri, Khalil; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","5-Bromo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione","Acta Crystallographica Section E","2012","68","1","o240","","10.1107/S160053681105447X","","","0.71073","MoKα","","0.0418","0.0292","","","0.0807","0.0911","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233334","7.2098","0.00001","23.3271","0.0004","12.3994","0.0002","90","","98.119","0.001","90","","2064.48","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{2-[(3-{(E)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2- yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","XU5414","Ramli, Youssef; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","3-{2-[(3-{(E)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate","Acta Crystallographica Section E","2012","68","1","o241","","10.1107/S1600536811054481","","","0.71073","MoKα","","0.0733","0.0455","","","0.1196","0.1367","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233335","6.7423","0.0005","12.8169","0.001","21.6454","0.0017","90","","98.275","0.001","90","","1851","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-{[N-(5-Chloro-2-hydroxyphenyl)oxamoyl]amino}propyl)dimethylazanium perchlorate","","- C13 H19 Cl2 N3 O7 -","- C13 H19 Cl2 N3 O7 -","- C52 H76 Cl8 N12 O28 -","4","1","YK2031","Yue, Xi-Teng; Li, Xiao-Wen; Wu, Zhi-Yong","(3-{[N-(5-Chloro-2-hydroxyphenyl)oxamoyl]amino}propyl)dimethylazanium perchlorate","Acta Crystallographica Section E","2012","68","1","o8","","10.1107/S1600536811050653","","","0.71073","MoKα","","0.0895","0.0537","","","0.1539","0.1793","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233336","19.481","0.002","12.0745","0.0013","10.4393","0.0011","90","","115.006","0.002","90","","2225.4","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3H- pyrrolo[3,2-d]pyrimidine-7-carboxylate","","- C25 H26 N4 O3 -","- C25 H26 N4 O3 -","- C100 H104 N16 O12 -","4","1","YK2034","Gao, Hai-Tao; Li, Li; Ye, Fang; Hu, Yang-Gen","Ethyl 2-diethylamino-4-oxo-3,5-diphenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2012","68","1","o118","","10.1107/S1600536811052883","","","0.71073","MoKα","","0.0542","0.0457","","","0.0995","0.1044","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233337","23.78","0.005","4.7784","0.0007","23.892","0.005","90","","121.2","0.01","90","","2322.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-Chloro-5-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C88 H96 Cl8 N8 O24 -","8","1","YK2035","Gowda, B. Thimme; Foro, Sabine; Chaithanya, U.","N-(2-Chloro-5-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","1","o221","","10.1107/S1600536811054638","","","0.71073","MoKα","","0.0973","0.0616","","","0.1123","0.1284","","","","","","1.191","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233338","8.151","0.0016","9.521","0.0019","11.506","0.002","103.8","0.03","105.64","0.03","101.03","0.03","803.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,4,5-Tris(pyridin-4-yl)-1H-imidazole monohydrate","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","ZJ2036","Wang, Shen-Tang; Che, Guang-Bo; Liu, Chun-Bo; Wang, Xing; Liu, Ling","2,4,5-Tris(pyridin-4-yl)-1H-imidazole monohydrate","Acta Crystallographica Section E","2012","68","1","o130","","10.1107/S1600536811053013","","","0.71073","MoKα","","0.09","0.0577","","","0.1058","0.1251","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233339","8.114","0.005","12.775","0.005","15.404","0.005","90","0.005","98.813","0.005","90","0.005","1577.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(5-Bromothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C64 H60 Br4 O16 S4 -","4","1","ZJ2039","Sunitha, K.; Devarajegowda, H. C.; Al-eryani, Waleed Fadl Ali; Prasad, Y. Rajendra; Kumar, A. Uma Mahesh","(2E)-1-(5-Bromothiophen-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o61","","10.1107/S1600536811052202","","","0.71073","MoKα","","0.0437","0.0334","","","0.0773","0.0817","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233340","6.7523","0.0003","8.2926","0.0003","9.7297","0.0004","100.63","0.003","90.885","0.003","99.168","0.003","528.05","0.04","297.1","","297.1","","","","","","","","","6","P 1","P 1","1","","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","- C6 H24 F2 N12 O10 P2 -","1","1","ZJ2040","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate","Acta Crystallographica Section E","2012","68","1","o47","o48","10.1107/S1600536811051683","","","0.7107","MoKα","","0.0359","0.0303","","","0.0661","0.0684","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233341","10.0258","0.0004","15.9925","0.0006","11.0016","0.0005","90","","106.656","0.003","90","","1689.96","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate","","- C16 H18 F N3 O2 S2 -","- C16 H18 F N3 O2 S2 -","- C64 H72 F4 N12 O8 S8 -","4","1","ZL2432","Wang, Yao; Lin, Hui-Hui; Cao, Sheng-Li","2-(5-Fluoro-2,3-dioxoindolin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate","Acta Crystallographica Section E","2012","68","1","o94","o95","10.1107/S1600536811052494","","","0.71073","MoKα","","0.0473","0.0348","","","0.0907","0.0996","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233342","12.29","0.0002","24.797","0.0006","25.608","0.0006","90","","90","","90","","7804.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazin-2- yl)methyl]benzonitrile","","- C23 H16 N2 O4 S -","- C23 H16 N2 O4 S -","- C368 H256 N32 O64 S16 -","16","2","ZL2435","Sattar, Nazia; Siddiqui, Hamid Latif; Hussain, Tanvir; Aslam, Sana; Parvez, Masood","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazin-2-yl)methyl]benzonitrile","Acta Crystallographica Section E","2012","68","1","o91","","10.1107/S1600536811052706","","","0.71073","MoKα","","0.1183","0.0789","","","0.1443","0.1639","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233343","7.122","0.0014","5.469","0.0011","12.981","0.003","90","","98.13","0.03","90","","500.53","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanol","","- C11 H11 F N2 O -","- C11 H11 F N2 O -","- C22 H22 F2 N4 O2 -","2","1","ZQ2137","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(4-Fluorophenyl)-2-(1H-imidazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","1","o152","","10.1107/S1600536811053505","","","0.71073","MoKα","","0.0496","0.0413","","","0.1173","0.1237","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233344","7.785","0.0002","5.7313","0.0002","26.5321","0.0007","90","","101.602","0.0015","90","","1159.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1-Dimethylbiguanidium(2+) dinitrate metformin nitrate","1,1-Dimethylbiguanidium(2+) dinitrate","","- C4 H13 N7 O6 -","- C4 H13 N7 O6 -","- C16 H52 N28 O24 -","4","1","ZQ2139","Fridrichová, Michaela; Císařová, Ivana; Němec, Ivan","1,1-Dimethylbiguanidium(2+) dinitrate","Acta Crystallographica Section E","2012","68","1","o18","o19","10.1107/S1600536811051105","","","0.71073","MoKα","","0.0479","0.0406","","","0.1054","0.1127","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233345","7.2232","0.0002","16.4826","0.0003","17.6098","0.0004","90","","91.666","0.001","90","","2095.69","0.08","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{2-[(pyridin-4-yl-κN)sulfanyl]pyrazine}silver(I) tetrafluoridoborate","","- C18 H14 Ag B F4 N6 S2 -","- C18 H14 Ag B F4 N6 S2 -","- C72 H56 Ag4 B4 F16 N24 S8 -","4","1","ZQ2141","Wang, Zi-Jia","Bis{2-[(pyridin-4-yl-κN)sulfanyl]pyrazine}silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","1","m4","","10.1107/S1600536811051270","","","0.71073","MoKα","","0.0405","0.036","","","0.111","0.116","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233346","8.752","0.006","16.308","0.01","13.001","0.008","90","","104.047","0.006","90","","1800","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Dibromo-6-methoxy-4-[(phenethylamino)methylidene]cyclohexa-2,5-dien-1- one methanol monosolvate","","- C17 H19 Br2 N O3 -","- C17 H19 Br2 N O3 -","- C68 H76 Br8 N4 O12 -","4","1","ZQ2143","Ge, Rong-Bao; Chen, Yue-Hu; Wang, Feng-Ting; Wang, Shuang-Shuang; Qian, Shao-Song","2,3-Dibromo-6-methoxy-4-[(phenethylamino)methylidene]cyclohexa-2,5-dien-1-one methanol monosolvate","Acta Crystallographica Section E","2012","68","1","o117","","10.1107/S1600536811052895","","","0.71073","MoKα","","0.1371","0.0512","","","0.098","0.133","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233347","7.0535","0.0008","7.9455","0.001","12.2883","0.0015","105.151","0.002","104.855","0.002","95.296","0.002","633.09","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2- ylidene]-3-oxopropanenitrile","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","1","ZQ2144","Helliwell, Madeleine; Baradarani, Mehdi M.; Mohammadnejadaghdam, Razieh; Afghan, Arash; Joule, John A.","2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]-3-oxopropanenitrile","Acta Crystallographica Section E","2012","68","1","o233","","10.1107/S1600536811053906","","","0.71073","MoKα","","0.0503","0.0463","","","0.1227","0.1265","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233348","11.866","0.002","10.625","0.002","37.811","0.007","90","","105.63","0.03","90","","4590.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{N-[(E)-2-(diphenylphosphanyl)benzylidene]- 2-(thiophen-2-yl)ethanamine-κP}gold(I)","","- C25 H22 Au Cl N P S -","- C25 H22 Au Cl N P S -","- C200 H176 Au8 Cl8 N8 P8 S8 -","8","2","ZQ2145","Chiririwa, Haleden; Muller, Alfred","Chlorido{N-[(E)-2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-κP}gold(I)","Acta Crystallographica Section E","2012","68","1","m49","","10.1107/S1600536811052536","","","0.71073","MoKα","","0.0869","0.0503","","","","0.1085","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233349","8.3111","0.0011","13.8493","0.0017","15.887","0.002","90","","101.588","0.002","90","","1791.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","ZQ2146","Wu, Jianzhang; Qiu, Junyan; Wu, Xiaokai; Yang, Shulin; Liu, Yonggen","(E)-3-(2,4-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","1","o154","","10.1107/S1600536811053001","","","0.71073","MoKα","","0.0675","0.0462","","","0.1164","0.1263","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233350","4.7283","0.0002","17.9791","0.001","19.3865","0.0008","90","","103.646","0.002","90","","1601.54","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-[2-(Methylsulfanyl)phenyl]-2-({(E)-2-[2- (methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene","","- C15 H15 N5 O2 S2 -","- C15 H15 N5 O2 S2 -","- C60 H60 N20 O8 S8 -","4","1","ZQ2147","von Eschwege, Karel G.; Muller, Fabian; Hosten, Eric C.","(E)-1-[2-(Methylsulfanyl)phenyl]-2-({(E)-2-[2-(methylsulfanyl)phenyl]hydrazinylidene}(nitro)methyl)diazene","Acta Crystallographica Section E","2012","68","1","o199","o200","10.1107/S1600536811054080","","","0.71073","MoKα","","0.0409","0.0306","","","0.0784","0.086","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233351","8.254","0.008","5.626","0.006","25.74","0.03","90","","90","","90","","1195","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","6-[(E)-2-Phenylvinyl]-1H-indole","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","ZS2163","Ge, Yu-Hua; Zhang, Chen-Guang; Luo, Yang-Hui","6-[(E)-2-Phenylvinyl]-1H-indole","Acta Crystallographica Section E","2012","68","1","o73","","10.1107/S1600536811051750","","","0.71073","MoKα","","0.0563","0.0457","","","0.1226","0.1318","","","","","","1.077","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233352","9.3565","0.0003","14.0077","0.0006","16.365","0.0006","86.079","0.003","83.808","0.003","88.377","0.003","2126.87","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,8-Dimesitylboranyl-6H,12H- 5,11-methanodibenzo[b,f][1,5]diazocine","5-[bis(2,4,6-trimethylphenyl)boranyl]-13-[(2,4,5-trimethylphenyl)(2,4,6- trimethylphenyl)boranyl]-1,9-diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca- 2,4,6,10(15),11,13-hexaene","","- C51 H56 B2 N2 -","- C51 H56 B2 N2 -","- C102 H112 B4 N4 -","2","1","ZS2166","Yuan, Chun-Xue","2,8-Dimesitylboranyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","Acta Crystallographica Section E","2012","68","1","o22","","10.1107/S1600536811051051","","","0.71073","MoKα","","0.0769","0.0559","","","0.1547","0.1717","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233353","8.41","0.002","11.962","0.003","14.386","0.004","90","","95.476","0.005","90","","1440.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquabis[bis(pyridin-3-yl)methanone-κN]manganese(II) bis(perchlorate)","","- C22 H24 Cl2 Mn N4 O14 -","- C22 H24 Cl2 Mn N4 O14 -","- C44 H48 Cl4 Mn2 N8 O28 -","2","0.5","ZS2167","Liu, Bin; Zhang, Fan","trans-Tetraaquabis[bis(pyridin-3-yl)methanone-κN]manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","1","m25","","10.1107/S1600536811052184","","","0.71073","MoKα","","0.0698","0.0503","","","0.13","0.1433","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233354","6.664","0.0013","20.678","0.004","7.89","0.0016","90","","105.74","0.03","90","","1046.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Isopropylamino-3-nitrobenzonitrile","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C40 H44 N12 O8 -","4","1","ZS2168","Jia, Hong-sheng","4-Isopropylamino-3-nitrobenzonitrile","Acta Crystallographica Section E","2012","68","1","o183","","10.1107/S1600536811051737","","","0.71073","MoKα","","0.0919","0.0502","","","0.1391","0.1696","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233355","7.0261","0.0014","7.438","0.0015","8.5775","0.0017","80.09","0.03","86.22","0.03","75.37","0.03","427.14","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-nitroisophthalic acid","4-nitrobenzene-1,3-dicarboxylic acid","","- C8 H5 N O6 -","- C8 H5 N O6 -","- C16 H10 N2 O12 -","2","1","ZS2171","Luo, Yang-Hui; Pan, Mei-Ling","4-Nitroisophthalic acid","Acta Crystallographica Section E","2012","68","1","o206","","10.1107/S1600536811053797","","","0.71073","MoKα","","0.2251","0.0916","","","0.235","0.3076","","","","","","0.855","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233356","11.583","0.005","5.598","0.002","24.009","0.009","90","","102.905","0.007","90","","1517.5","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Cyclopropyl-1-(4-methylphenylsulfonyl)piperidine-3,5-diol","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","GG2064","Wang, Yi; Lin, Yong-Yue","3-Cyclopropyl-1-(4-methylphenylsulfonyl)piperidine-3,5-diol","Acta Crystallographica Section E","2012","68","1","o231","","10.1107/S1600536811054420","","","0.71073","MoKα","","0.0786","0.069","","","0.1237","0.1275","","","","","","1.227","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233357","10.601","0.002","15.762","0.004","16.793","0.004","90","","90","","90","","2806","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","2","AA2036","Peng, Zhi-Yun; Liu, Xiao-Yang; Yang, Ye-Ling; Xiang, Kai-Shuang; Xiao, Zhu-Ping","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","Acta Crystallographica Section E","2012","68","2","o250","","10.1107/S1600536811055048","","","0.71073","MoKα","","0.0896","0.0525","","","0.1265","0.1412","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233358","22.276","0.003","8.0625","0.0011","15.773","0.002","90","","123.757","0.002","90","","2355.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-di-3-pyridylmethanone-κ^2^N:N')(μ~2~- hexafluorosilicato-κ^2^F:F')copper(II)] dihydrate]","","- C22 H20 Cu F6 N4 O4 Si -","- C22 H20 Cu F6 N4 O4 Si -","- C88 H80 Cu4 F24 N16 O16 Si4 -","4","0.5","AA2040","Yang, Yong-Li","Poly[[(μ~2~-di-3-pyridylmethanone-κ^2^N:N')(μ~2~-hexafluorosilicato-κ^2^F:F')copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","2","m209","","10.1107/S1600536812002267","","","0.71073","MoKα","","0.0387","0.0337","","","0.0905","0.0943","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233359","7.708","0.003","13.187","0.005","9.501","0.003","90","","97.679","0.006","90","","957.1","0.6","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl- 4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12- methanobenzofuro[3,2-e]isoquinolin-3-ium bromide","","- C21 H26 Br N O4 -","- C21 H26 Br N O4 -","- C42 H52 Br2 N2 O8 -","2","1","BG2437","Chen, Xiangfeng; Zong, Zaiwei; Du, Youguo; Li, Jianguo; Sun, Min","(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide","Acta Crystallographica Section E","2012","68","2","o405","o406","10.1107/S1600536812000645","","","0.71073","MoKα","","0.0482","0.0352","","","0.0703","0.0729","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233360","7.808","0.0002","10.1485","0.0003","10.5265","0.0003","95.193","0.001","109.183","0.001","99.405","0.001","767.85","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C30 H32 F6 N2 O8 -","2","1","BG2441","Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate","Acta Crystallographica Section E","2012","68","2","o514","o515","10.1107/S1600536812002590","","","0.71073","MoKα","","0.0515","0.0437","","","0.1212","0.1283","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233361","10.891","0.007","11.226","0.007","13.477","0.009","90","","95.509","0.009","90","","1640.1","1.8","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-o- toluenesulfonamide","1-(2-Methylphenylsulfonyl)-3-(perhydrocyclopenta[c]pyrrol-2-yl)urea","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","BH2389","Wu, Di; Wang, Xueyuan; Pang, Dongying; Su, Wei; Sun, Yan","Gliclazide impurity F: N-[(perhydrocyclopenta[c]pyrrol-2-yl)aminocarbonyl]-o-toluenesulfonamide","Acta Crystallographica Section E","2012","68","2","o446","","10.1107/S1600536811054985","","","0.71073","MoKα","","0.053","0.0444","","","0.1058","0.1134","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233362","12.133","0.011","8.684","0.008","20.983","0.019","90","","102.043","0.013","90","","2162","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-3,5-dimethoxy-N-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzamide methanol monosolvate","","- C20 H23 N3 O8 S -","- C20 H23 N3 O8 S -","- C80 H92 N12 O32 S4 -","4","1","BH2401","Pan, Wei-Gao; Zhao, Zhi-Dong; Luo, Peng; Lin, Cui-Wu; Miao, Jian-Hua","4-Hydroxy-3,5-dimethoxy-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzamide methanol monosolvate","Acta Crystallographica Section E","2012","68","2","o379","","10.1107/S1600536811055991","","","0.71073","MoKα","","0.0657","0.0489","","","0.1282","0.1395","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233363","8.989","0.003","9.032","0.003","10.621","0.004","106.68","0.002","99.95","0.003","109.72","0.002","742","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato- κ^3^N,N',O^1^)cobalt(III) nitrate monohydrate","","- C32 H40 Co N5 O8 -","- C32 H40 Co N5 O8 -","- C32 H40 Co N5 O8 -","1","0.5","BH2406","Sow, Mouhamadou Moustapha; Diouf, Ousmane; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","Bis(2-{[2-(2-hydroxybenzylamino)ethyl]aminomethyl}phenolato-κ^3^N,N',O^1^)cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2012","68","2","m121","m122","10.1107/S1600536811055851","","","0.7107","MoKα","","0.0581","0.0474","","","0.1166","0.1259","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233364","7.0973","0.0005","12.0957","0.0007","18.7396","0.0013","90","","96.058","0.004","90","","1599.75","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(E)-[(2Z)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro- 1H-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol","","- C16 H14 Cl N3 O3 S -","- C16 H14 Cl N3 O3 S -","- C64 H56 Cl4 N12 O12 S4 -","4","1","BH2407","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","2-{(E)-[(2Z)-(3-Chloro-1-methyl-2,2-dioxo-3,4-dihydro-1H-2,1-benzothiazin-4-ylidene)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2012","68","2","o307","","10.1107/S1600536811055978","","","0.71073","MoKα","","0.1378","0.0726","","","0.1805","0.2109","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233365","6.4319","0.0002","9.3498","0.0003","14.5505","0.0005","98.481","0.001","93.655","0.001","102.359","0.002","841.27","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate","","- C20 H18 O4 -","- C20.003 H18.009 O4 -","- C40.006 H36.018 O8 -","2","1","BH2408","Abou, Akoun; Sessouma, Bintou; Djandé, Abdoulaye; Saba, Adama; Kakou-Yao, Rita","2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate","Acta Crystallographica Section E","2012","68","2","o537","o538","10.1107/S160053681200298X","","","0.71073","MoKα","","0.0853","0.0568","","","0.1351","0.1565","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233366","6.9925","0.0004","9.8666","0.0006","10.4238","0.0006","103.055","0.002","100.033","0.001","90.508","0.001","688.99","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(3-Hydroxyphenyl)-3-(3-methoxyphenyl)thiourea","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C28 H28 N4 O4 S2 -","2","1","BH2409","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","1-(3-Hydroxyphenyl)-3-(3-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","2","o530","","10.1107/S1600536812002553","","","0.71073","MoKα","","0.0508","0.0361","","","","0.0972","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233367","12.1127","0.0008","11.7625","0.0008","18.73","0.001","90","","90","","90","","2668.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzoyl-2-nitrobenzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C104 H80 N16 O40 S8 -","8","1","BQ2330","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Nirmala, B.","N-Benzoyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o339","","10.1107/S1600536811055917","","","0.71073","MoKα","","0.0678","0.0434","","","0.0976","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233368","11.924","0.0017","11.924","0.0017","20.111","0.004","90","","90","","120","","2476.3","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","5-Methoxy-1,3,4-thiadiazol-2(3H)-one","","- C3 H4 N2 O2 S -","- C3 H4 N2 O2 S -","- C54 H72 N36 O36 S18 -","18","3","BQ2331","Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju","5-Methoxy-1,3,4-thiadiazol-2(3H)-one","Acta Crystallographica Section E","2012","68","2","o475","","10.1107/S160053681200178X","","","0.71073","MoKα","","0.0844","0.0555","","","0.1184","0.1331","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233369","21.601","0.003","8.5238","0.0012","21.187","0.003","90","","106.175","0.004","90","","3746.6","0.9","293","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-2-[(4-Methylphenyl)sulfonyl]-1,2-diphenyletheneselenol","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C168 H144 O16 S8 Se8 -","8","1","BQ2332","Natarajan, Sampath; Mathews, Rita","(Z)-2-[(4-Methylphenyl)sulfonyl]-1,2-diphenyletheneselenol","Acta Crystallographica Section E","2012","68","2","o442","","10.1107/S1600536812001638","","","0.71073","MoKα","","0.0583","0.04","","","0.1043","0.1143","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233370","12.227","0.001","12.854","0.001","18.317","0.002","90","","90","","90","","2878.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","BQ2333","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o462","","10.1107/S160053681200164X","","","0.71073","MoKα","","0.0593","0.044","","","0.1127","0.1244","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233371","16.674","0.005","19.819","0.008","7.549","0.001","90","","90.08","0.005","90","","2494.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one O-benzyloxime","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","BQ2334","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,6-Bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-one O-benzyloxime","Acta Crystallographica Section E","2012","68","2","o524","","10.1107/S1600536812002140","","","0.71069","MoKα","","0.0877","0.048","","","0.1301","0.1604","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233372","4.8026","0.0015","10.785","0.003","15.086","0.004","67.64","0.02","79.43","0.02","85.32","0.02","710.3","0.4","73","2","73","2","","","","","","","","6","P -1","-P 1","2","","1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol","","- C17 H13 Br Cl N O -","- C17 H13 Br Cl N O -","- C34 H26 Br2 Cl2 N2 O2 -","2","1","BQ2335","Praveen, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.","1-[Amino(4-chlorophenyl)methyl]-6-bromonaphthalen-2-ol","Acta Crystallographica Section E","2012","68","2","o535","","10.1107/S1600536812002905","","","0.71073","MoKα","","0.0386","0.035","","","0.0793","0.0818","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233373","7.2163","0.0002","20.9627","0.0004","22.4624","0.0004","90","","90","","90","","3397.96","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","","- C16 H21 B O6 -","- C16 H21 B O6 -","- C128 H168 B8 O48 -","8","1","BT5730","Yi, Long-tao; Liu, Zhi-qiang","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o275","","10.1107/S1600536811054559","","","0.71073","MoKα","","0.0931","0.0462","","","0.1161","0.1419","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233374","5.7558","0.0003","21.6262","0.0009","15.1337","0.0007","90","","93.72","0.001","90","","1879.81","0.15","296","2","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3S)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","","- C19 H18 Br N O5 -","- C19 H18 Br N O5 -","- C76 H72 Br4 N4 O20 -","4","2","BT5738","Wang, Yifeng; Wang, Ke; Li, Zhaobo; Xu, Danqian","Ethyl (2R,3S)-2-benzoyl-3-(4-bromophenyl)-4-nitrobutanoate","Acta Crystallographica Section E","2012","68","2","o499","","10.1107/S1600536812002073","","","0.71073","MoKα","","0.103","0.0457","","","0.097","0.1272","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233375","8.9172","0.0004","9.9953","0.0004","11.5931","0.0006","81.257","0.003","76.638","0.003","83.805","0.002","990.79","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2'-Hydroxymethyl-1'-(4-methylphenyl)-2'-nitro-1',2',5',6',7',7a'- hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C44 H46 N6 O8 -","2","1","BT5744","Sathya, S.; Bhaskaran, Sundari; Usha, G.; Sivakumar, N.; Bakthadoss, M.","2'-Hydroxymethyl-1'-(4-methylphenyl)-2'-nitro-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2012","68","2","o277","","10.1107/S1600536811055449","","","0.71073","MoKα","","0.0643","0.0483","","","0.1614","0.1754","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233376","16.3469","0.0006","8.9579","0.0003","16.1505","0.0005","90","","109.105","0.002","90","","2234.72","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Diaminomethylidene)sulfonium chloride‒thiourea (3/2)","","- C5 H23 Cl3 N10 S5 -","- C5 H23 Cl3 N10 S5 -","- C20 H92 Cl12 N40 S20 -","4","1","BT5746","Zouihri, Hafid","(Diaminomethylidene)sulfonium chloride‒thiourea (3/2)","Acta Crystallographica Section E","2012","68","2","o257","","10.1107/S1600536811052809","","","0.71073","MoKα","","0.0332","0.0262","","","0.0649","0.0677","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233377","12.148","0.005","12.333","0.005","16.522","0.005","90","","108.768","0.005","90","","2343.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)-3-p-tolylpropanoate","","- C26 H24 N2 O2 Se -","- C26 H24 N2 O2 Se -","- C104 H96 N8 O8 Se4 -","4","1","BT5750","Sankari, S.; Sugumar, P.; Manisankar, T.; Muthusubramanian, S.; Ponnuswamy, M. N.","Ethyl 2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)-3-p-tolylpropanoate","Acta Crystallographica Section E","2012","68","2","o447","","10.1107/S1600536811056017","","","0.71073","MoKα","","0.0822","0.0417","","","0.098","0.1143","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233378","12.266","0.001","12.643","0.001","18.738","0.002","90","","90","","90","","2905.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","BT5759","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o274","","10.1107/S1600536811054882","","","0.71073","MoKα","","0.0571","0.037","","","0.0888","0.0961","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233379","11.863","0.004","19.52","0.007","14.402","0.005","90","","98.486","0.008","90","","3298","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Butylbis(diphenylglyoximato)(pyridine-κN)cobalt(III)","","- C37 H36 Co N5 O4 -","- C37 H36 Co N5 O4 -","- C148 H144 Co4 N20 O16 -","4","1","BT5764","Kumar, Sarvendra; Thapa, Suresh","Butylbis(diphenylglyoximato)(pyridine-κN)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m115","","10.1107/S1600536812000153","","","0.71073","MoKα","","0.1326","0.069","","","0.1476","0.1842","","","","","","0.97","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233380","9.2721","0.0002","13.6449","0.0003","17.1883","0.0004","90","","90","","90","","2174.61","0.08","120","0.14","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1'-[(2-Phenyl-2,3-dihydro-1H-benzimidazole-1,3- diyl)bis(methylene)]bis(1H-benzotriazole)","","- C27 H22 N8 -","- C27 H22 N8 -","- C108 H88 N32 -","4","1","BT5766","Rivera, Augusto; Osorio, Hector Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[(2-Phenyl-2,3-dihydro-1H-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o301","","10.1107/S1600536811055486","","","1.5418","CuKα","","0.0276","0.0267","","","0.0789","0.0795","","","","","","1.8","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233381","11.8609","0.0006","4.6429","0.0002","14.4712","0.0008","90","","93.053","0.004","90","","795.78","0.07","120","","120","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1H-benzotriazole)","","- C17 H18 N8 -","- C17 H18 N8 -","- C34 H36 N16 -","2","1","BT5768","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1H-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o312","o313","10.1107/S1600536812000232","","","1.5418","CuKα","","0.0285","0.0269","","","0.0719","0.0729","","","","","","1.52","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233382","8.8626","0.0003","9.4552","0.0003","17.408","0.0005","90","","90","","90","","1458.75","0.08","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1aH- 1-oxacyclopropa[d]naphthalen-7-yl)acrylate","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","BT5772","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1aH-1-oxacyclopropa[d]naphthalen-7-yl)acrylate","Acta Crystallographica Section E","2012","68","2","o387","","10.1107/S1600536812000086","","","0.71073","MoKα","","0.0299","0.0281","","","0.0744","0.0754","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233383","6.3875","0.0003","16.2896","0.0008","11.6054","0.0006","90","","96.039","0.003","90","","1200.84","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenylthieno[2,3-b]quinoxaline","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","BT5773","Ramli, Youssef; Zouihri, Hafid; Azougagh, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar","2-Phenylthieno[2,3-b]quinoxaline","Acta Crystallographica Section E","2012","68","2","o396","","10.1107/S1600536812000098","","","0.71073","MoKα","","0.0491","0.0411","","","0.1055","0.1087","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233384","7.6224","0.0004","7.9139","0.0004","11.7536","0.0005","90","","91.341","0.004","90","","708.82","0.06","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C32 H24 N4 O4 S2 -","2","1","BT5774","Inaç, Hasan; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(E)-3-[(2-Methyl-4-nitrophenyl)iminomethyl]-1-benzothiophene","Acta Crystallographica Section E","2012","68","2","o361","","10.1107/S1600536812000190","","","0.7107","MoKα","","","0.0374","","","","0.089","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233385","6.6825","0.0006","7.7926","0.0005","23.718","0.0012","90","","90","","90","","1235.09","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-Methoxy-N-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","BT5776","Kan Kaynar, Nihal; Gümüs, Sümeyye; Ağar, Erbil; Büyükgüngör, Orhan; Yavuz, Metin","(Z)-2-Methoxy-N-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","2","o393","","10.1107/S160053681200044X","","","0.71073","MoKα","","0.0639","0.0371","","","0.0625","0.0689","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233386","5.5058","0.0011","15.734","0.003","21.302","0.004","90","","90","","90","","1845.4","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,E,E)-N,N'-Bis(4- chlorobenzylidene)cyclohexane-1,2-diamine","","- C20 H20 Cl2 N2 -","- C20 H20 Cl2 N2 -","- C80 H80 Cl8 N8 -","4","1","BT5777","Arvinnezhad, Hamid; Jadidi, Khosrow; Notash, Behrouz","(1R,2R,E,E)-N,N'-Bis(4-chlorobenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2012","68","2","o407","o408","10.1107/S1600536812000724","","","0.71073","MoKα","","0.0726","0.0537","","","0.1045","0.1134","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233387","11.9274","0.0003","15.6064","0.0006","7.2949","0.0003","90","","90","","90","","1357.9","0.08","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl (2E)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3- phenylprop-2-enoate","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","BT5778","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2E)-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","2","o328","o329","10.1107/S1600536812000578","","","0.71073","MoKα","","0.0366","0.03","","","0.0778","0.0819","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233388","7.9528","0.0003","9.5396","0.0003","15.3299","0.0005","88.253","0.002","83.571","0.001","76.215","0.002","1122.42","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2Z)-2-({N-[2-(hydroxymethyl)phenyl]-4- methylbenzenesulfonamido}methyl)-3-phenylprop-2-enoate","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C50 H50 N2 O10 S2 -","2","1","BT5779","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2Z)-2-({N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamido}methyl)-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","2","o418","o419","10.1107/S1600536812000864","","","0.71073","MoKα","","0.0617","0.0423","","","0.1138","0.127","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233389","8.0162","0.0003","12.0887","0.0005","13.8703","0.0006","107.788","0.002","90.068","0.001","93.446","0.002","1277.27","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2Z)-2-{[N-(2-formylphenyl)- 4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","BT5780","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2Z)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(naphthalen-1-yl)prop-2-enoate","Acta Crystallographica Section E","2012","68","2","o330","o331","10.1107/S160053681200058X","","","0.71073","MoKα","","0.0634","0.0403","","","0.1026","0.1157","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233390","15.8236","0.0011","13.5901","0.0009","7.9189","0.0006","90","","102.96","0.001","90","","1659.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,3-Di-2-pyridylpyrazine-κ^2^N^2^,N^3^)bis(thiocyanato- κS)palladium(II)","","- C16 H10 N6 Pd S2 -","- C16 H10 N6 Pd S2 -","- C64 H40 N24 Pd4 S8 -","4","1","BT5782","Ha, Kwang","(2,3-Di-2-pyridylpyrazine-κ^2^N^2^,N^3^)bis(thiocyanato-κS)palladium(II)","Acta Crystallographica Section E","2012","68","2","m144","","10.1107/S1600536812000980","","","0.71073","MoKα","","0.0809","0.0455","","","0.0841","0.1002","","","","","","1","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233391","16.3698","0.0009","6.7787","0.0002","15.9609","0.0009","90","","105.284","0.004","90","","1708.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloro-4-(4-chlorophenoxy)-N-[(Z)-(5-nitrothiophen-2- yl)methylidene]aniline","","- C17 H10 Cl2 N2 O3 S -","- C17 H10 Cl2 N2 O3 S -","- C68 H40 Cl8 N8 O12 S4 -","4","1","BT5785","Özdemir Tarı, Gonca; Işık, Şamil","3-Chloro-4-(4-chlorophenoxy)-N-[(Z)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","2","o415","","10.1107/S1600536812001316","","","0.71073","MoKα","","0.0754","0.0503","","","0.1138","0.1235","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233392","11.285","0.002","15.048","0.003","17.576","0.004","90","","90","","90","","2984.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine- κ^2^N,N'}bis(thiocyanato-κN)cadmium","","- C30 H28 Cd N6 S2 -","- C30 H28 Cd N6 S2 -","- C120 H112 Cd4 N24 S8 -","4","0.5","BT5786","Malekshahian, Mohammad; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz","Bis{2-[(2,4-dimethylphenyl)iminomethyl]pyridine-κ^2^N,N'}bis(thiocyanato-κN)cadmium","Acta Crystallographica Section E","2012","68","2","m218","m219","10.1107/S1600536812002772","","","0.71073","MoKα","","0.049","0.0254","","","0.0688","0.0751","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233393","9.477","0.0019","20.109","0.004","34.595","0.007","90","","90","","90","","6593","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-tert-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","","- C21 H21 N O -","- C21 H21 N O -","- C336 H336 N16 O16 -","16","2","BT5787","Jamjah, Roghayieh; Nekoomanesh, Mehdi; Zahedi, Roya; Zohuri, Gholamhossein; Afshar Taromi, Faramarz; Notash, Behrouz","(E)-2-tert-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o522","","10.1107/S1600536812002395","","","0.71073","MoKα","","0.1118","0.0671","","","0.1347","0.1545","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233394","26.6096","0.0006","5.3869","0.0001","17.1043","0.0004","90","","114.689","0.003","90","","2227.66","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rac-2-Amino-1,2-diphenylethanol","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","1","BT5788","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Ng, Seik Weng","rac-2-Amino-1,2-diphenylethanol","Acta Crystallographica Section E","2012","68","2","o491","","10.1107/S1600536812002000","","","1.54184","CuKα","","0.0328","0.0315","","","0.0837","0.0851","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233395","27.4279","0.0007","5.69216","0.00011","17.191","0.0005","90","","116.223","0.003","90","","2407.7","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rac-2-Methylamino-1,2-diphenylethanol","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","1","BT5789","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Ng, Seik Weng","rac-2-Methylamino-1,2-diphenylethanol","Acta Crystallographica Section E","2012","68","2","o492","","10.1107/S1600536812002012","","","1.54184","CuKα","","0.0368","0.0344","","","0.0899","0.0918","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233396","7.605","0.003","9.748","0.003","12.098","0.004","86.036","0.004","73.869","0.004","68.684","0.003","802.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Anilino-1-ferrocenylpropan-1-one","","- C19 H19 Fe N O -","- C19 H19 Fe N O -","- C38 H38 Fe2 N2 O2 -","2","1","BT5790","Leka, Zorica; Novaković, Sladjana B.; Stevanović, Dragana; Bogdanović, Goran A.; Vukićević, Rastko D.","3-Anilino-1-ferrocenylpropan-1-one","Acta Crystallographica Section E","2012","68","2","m229","","10.1107/S1600536812003492","","","0.71073","MoKα","","0.0509","0.0336","","","0.0863","0.091","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233397","7.553","0.002","9.778","0.003","13.64","0.004","86.83","0.02","74.62","0.03","67.71","0.03","897.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-3-(4-methylanilino)propan-1-one","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C40 H42 Fe2 N2 O2 -","2","1","BT5791","Leka, Zorica; Novaković, Sladjana B.; Stevanović, Dragana; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(4-methylanilino)propan-1-one","Acta Crystallographica Section E","2012","68","2","m230","","10.1107/S1600536812003509","","","0.71073","MoKα","","0.0549","0.0411","","","0.1098","0.1153","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233398","7.6602","0.0004","9.6438","0.0004","12.0626","0.0006","86.548","0.004","73.59","0.004","69.138","0.004","797.95","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-Ferrocenyl-3-(3-fluoroanilino)propan-1-one","","- C19 H18 F Fe N O -","- C19 H18 F Fe N O -","- C38 H36 F2 Fe2 N2 O2 -","2","1","BT5792","Leka, Zorica; Novaković, Sladjana B.; Pejović, Anka; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(3-fluoroanilino)propan-1-one","Acta Crystallographica Section E","2012","68","2","m231","","10.1107/S1600536812003510","","","0.71073","MoKα","","0.0717","0.0491","","","0.0889","0.1017","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233399","11.1212","0.0003","12.5865","0.0003","20.069","0.0005","106.891","0.001","102.344","0.001","94.483","0.001","2596.13","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","{2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di- tert-butylphenyl-κC^1^}[(1,2,5,6-η)-cycloocta-1,5- diene]rhodium(I) toluene monosolvate","","- C57 H82 O3 P Rh -","- C57 H82 O3 P Rh -","- C114 H164 O6 P2 Rh2 -","2","1","BT5795","Selent, Detlef; Spannenberg, Anke; Börner, Armin","{2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC^1^}[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I) toluene monosolvate","Acta Crystallographica Section E","2012","68","2","m215","","10.1107/S1600536812002851","","","0.71073","MoKα","","0.0294","0.0265","","","0.0666","0.0691","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233400","9.102","0.0005","11.6866","0.0005","13.3534","0.0005","69.1646","0.0011","84.2052","0.0016","76.9358","0.0016","1292.84","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]- κ^3^O^1^,O^1'^:O^1^; κ^3^O^1^:O^1^,O^1'^- bis[aqua(N,N-dimethylformamide-κO)cadmium]]-μ- 4,4'-bipyridine-κ^2^N:N'] dinitrate]","","- C46 H52 Cd2 N8 O20 -","- C46 H52 Cd2 N8 O20 -","- C46 H52 Cd2 N8 O20 -","1","0.5","BT5796","Gao, Shan; Ng, Seik Weng","catena-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]-κ^3^O^1^,O^1'^:O^1^;κ^3^O^1^:O^1^,O^1'^-bis[aqua(N,N-dimethylformamide-κO)cadmium]]-μ-4,4'-bipyridine-κ^2^N:N'] dinitrate]","Acta Crystallographica Section E","2012","68","2","m214","","10.1107/S1600536812002991","","","0.71073","MoKα","","0.0444","0.0304","","","0.0657","0.0766","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233401","7.6518","0.0003","11.3553","0.0005","13.5294","0.0006","77.2436","0.0014","85.6236","0.0013","73.3105","0.0013","1098.13","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[triaqua[μ~4~-3-(4-carboxylatophenoxy)propionato- κ^4^O:O':O'':O'''][μ~3~-3-(4- carboxylatophenoxy)propionato-κ^3^O:O':O'']dizinc]","","- C20 H22 O13 Zn2 -","- C20 H22 O13 Zn2 -","- C40 H44 O26 Zn4 -","2","1","BT5797","Gao, Shan; Ng, Seik Weng","Poly[triaqua[μ~4~-3-(4-carboxylatophenoxy)propionato-κ^4^O:O':O'':O'''][μ~3~-3-(4-carboxylatophenoxy)propionato-κ^3^O:O':O'']dizinc]","Acta Crystallographica Section E","2012","68","2","m223","m224","10.1107/S1600536812003200","","","0.71073","MoKα","","0.035","0.0263","","","0.0669","0.0738","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233402","14.606","0.002","5.1159","0.0004","18.742","0.002","90","","93.336","0.009","90","","1398.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorobenzoyl)-3-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C52 H36 Cl4 N8 O20 S4 -","4","1","BT5798","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chlorobenzoyl)-3-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o543","","10.1107/S1600536812003236","","","0.71073","MoKα","","0.0952","0.0576","","","0.0917","0.1035","","","","","","1.186","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233403","9.212","0.004","9.37","0.004","14.295","0.005","85.3","0.03","84.83","0.03","69.08","0.03","1146.2","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Chlorido(1,2-dimethyl-1H-imidazole-κN^3^){2- [(diphenoxyphosphanyl)oxy]phenyl-κ^2^C^1^,P}palladium(II)","","- C23 H22 Cl N2 O3 P Pd -","- C23 H22 Cl N2 O3 P Pd -","- C46 H44 Cl2 N4 O6 P2 Pd2 -","2","1","BT5799","Błaszczyk, Izabela; Trzeciak, Anna M.; Gniewek, Andrzej","Chlorido(1,2-dimethyl-1H-imidazole-κN^3^){2-[(diphenoxyphosphanyl)oxy]phenyl-κ^2^C^1^,P}palladium(II)","Acta Crystallographica Section E","2012","68","2","m227","m228","10.1107/S1600536812003431","","","0.71073","MoKα","","0.0314","0.0294","","","0.0818","0.0822","","","","","","1.365","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233404","8.8814","0.0008","9.8586","0.001","26.434","0.003","90","","90","","90","","2314.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","","- C12 H24 Ag Cl2 N3 O11 S2 -","- C12 H24 Ag Cl2 N3 O11 S2 -","- C48 H96 Ag4 Cl8 N12 O44 S8 -","4","1","BT5802","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section E","2012","68","2","m225","","10.1107/S160053681200339X","","","0.71073","MoKα","","0.0342","0.0319","","","0.0815","0.0835","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233405","9.3578","0.0019","7.8579","0.0016","9.844","0.002","90","","110.53","0.03","90","","677.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxyethanaminium) terephthalate","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","0.5","BX2389","Jin, Yu","Bis(2-hydroxyethanaminium) terephthalate","Acta Crystallographica Section E","2012","68","2","o336","","10.1107/S1600536812000293","","","0.71073","MoKα","","0.0562","0.0444","","","0.1037","0.1084","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233406","29.008","0.016","16.146","0.008","12.068","0.006","90","","110.486","0.009","90","","5295","5","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl- 5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","1","BX2390","Sun, Rong; Wu, Dong-Dong; Wang, Ke; Huang, Wei; Ou, Yang-Bing","(4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate","Acta Crystallographica Section E","2012","68","2","o409","o410","10.1107/S1600536811056285","","","0.71073","MoKα","","0.0896","0.0584","","","0.125","0.1316","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233407","16.8264","0.0003","8.7627","0.0001","13.3545","0.0002","90","","104.248","0.001","90","","1908.48","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","BX2395","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o480","","10.1107/S1600536812001791","","","0.71073","MoKα","","0.0586","0.0383","","","0.0938","0.1028","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233408","5.9602","0.0003","17.2164","0.0008","17.7222","0.0008","90","","90","","90","","1818.53","0.15","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","","- C18 H20 Br2 N2 O2 -","- C18 H20 Br2 N2 O2 -","- C72 H80 Br8 N8 O8 -","4","1","BX2397","Rivera, Augusto; Trujillo, Ginna Paola; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","Acta Crystallographica Section E","2012","68","2","o498","","10.1107/S1600536812001985","","","1.5418","CuKα","","0.0255","0.0228","","","0.0541","0.0555","","","","","","1.37","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233409","9.0542","0.0011","9.7287","0.0009","9.894","0.001","80.78","0.01","71.02","0.01","62.39","0.01","730.24","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","","- C20 H32 Br6 Hg2 N2 -","- C20 H32 Br6 Hg2 N2 -","- C20 H32 Br6 Hg2 N2 -","1","0.5","CV5212","Jin, Lei","Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","Acta Crystallographica Section E","2012","68","2","m123","","10.1107/S1600536811055887","","","0.71073","MoKα","","0.0792","0.0523","","","0.1197","0.131","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233410","4.2613","0.0001","26.5565","0.0006","10.3983","0.0002","90","","98.123","0.001","90","","1164.92","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-{[(Pyridin-4-ylmethylidene)amino]methyl}benzoic acid","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","CV5218","Han, Sun Hwa; Lee, Soon W.","(E)-4-{[(Pyridin-4-ylmethylidene)amino]methyl}benzoic acid","Acta Crystallographica Section E","2012","68","2","o294","","10.1107/S1600536811056212","","","0.71073","MoKα","","0.0798","0.047","","","0.1032","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233411","5.1786","0.0002","15.3176","0.0005","20.3554","0.0014","98.495","0.007","92.109","0.007","91.12","0.006","1595.36","0.14","123","2","123","2","","","","","","","","4","P 1","P 1","1","","(9H-Fluoren-9-yl)methyl N-{(2R,3R,4S)- 4-hydroxy-2-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy]-5- oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","","- C30 H37.667 N O6.333 -","- C30.0005 H37.668 N O6.3335 -","- C60.001 H75.336 N2 O12.667 -","2","2","CV5219","Gainsford, Graeme J.; Luxenburger, Andreas","(9H-Fluoren-9-yl)methyl N-{(2R,3R,4S)-4-hydroxy-2-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate","Acta Crystallographica Section E","2012","68","2","o403","o404","10.1107/S1600536811055139","","","1.54178","CuKα","","0.1188","0.0952","","","0.2311","0.2605","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233412","10.854","0.002","11.995","0.002","12.202","0.003","63.257","0.003","71.881","0.003","74.736","0.003","1334","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Decacarbonyl[μ~4~-(ethane-1,2-diyldinitrilo)tetrakis(methanethiolato)] bis(triphenylphosphane)tetrairon(2 Fe—Fe)","","- C52 H42 Fe4 N2 O10 P2 S4 -","- C52 H42 Fe4 N2 O10 P2 S4 -","- C52 H42 Fe4 N2 O10 P2 S4 -","1","0.5","CV5221","Gao, Wei-Ming; Li, Jia-Ming","Decacarbonyl[μ~4~-(ethane-1,2-diyldinitrilo)tetrakis(methanethiolato)]bis(triphenylphosphane)tetrairon(2 Fe—Fe)","Acta Crystallographica Section E","2012","68","2","m118","","10.1107/S160053681105584X","","","0.71073","MoKα","","0.0972","0.0554","","","0.0821","0.09","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233413","5.4407","0.0017","8.634","0.003","22.317","0.007","90","","96.327","0.004","90","","1042","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-carboxy-2-(1-methylpyridin-1-ium-4-yl)-1H-imidazole-5-carboxylate","","- C11 H9 N3 O4 -","- C11 H9 N3 O4 -","- C44 H36 N12 O16 -","4","1","CV5222","Liu, Dao-Sen; Fang, Jun-Guo","Zwitterionic 4-carboxy-2-(1-methylpyridin-1-ium-4-yl)-1H-imidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o358","","10.1107/S1600536811055644","","","0.71073","MoKα","","0.0816","0.0565","","","0.1514","0.1674","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233414","10.6511","0.0013","23.321","0.003","7.0111","0.0008","90","","105.044","0.007","90","","1681.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(5-carboxypyridine-3-carboxylato- κN)copper(I)]-μ-4,4'-bipyridine-κ^2^N:N'] monohydrate","","- C17 H16 Cu N3 O6 -","- C17 H16 Cu N3 O6 -","- C68 H64 Cu4 N12 O24 -","4","1","CV5224","Liu, Gang; Qin, Gao","catena-Poly[[[aqua(5-carboxypyridine-3-carboxylato-κN)copper(I)]-μ-4,4'-bipyridine-κ^2^N:N'] monohydrate]","Acta Crystallographica Section E","2012","68","2","m120","","10.1107/S1600536811055656","","","0.71073","MoKα","","0.0495","0.0357","","","0.1075","0.1271","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233415","13.221","0.002","9.5336","0.0018","21.62","0.002","90","","90","","90","","2725.1","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CV5225","Tang, Chun-Bao","N'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o296","","10.1107/S1600536811055565","","","0.71073","MoKα","","0.0954","0.0611","","","0.1046","0.1167","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233416","12.511","0.003","12.564","0.003","13.601","0.003","88.13","0.03","70.62","0.03","65.84","0.03","1826.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4- diethoxyphenyl)prop-2-en-1-one ethanol disolvate","","- C36 H50 N2 O7 -","- C36 H50 N2 O7 -","- C72 H100 N4 O14 -","2","1","CV5226","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(E)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(3,4-diethoxyphenyl)prop-2-en-1-one ethanol disolvate","Acta Crystallographica Section E","2012","68","2","o298","","10.1107/S1600536811055796","","","0.71073","MoKα","","0.1602","0.0695","","","0.1366","0.1657","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233417","23.451","0.005","11.837","0.002","10.684","0.002","90","","101.17","0.03","90","","2909.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Adamantan-1-ylamino)methyl]phenol","","- C17 H23 N O -","- C17 H23 N O -","- C136 H184 N8 O8 -","8","2","CV5227","Wang, Ying-Chun; Tao, Rong","2-[(Adamantan-1-ylamino)methyl]phenol","Acta Crystallographica Section E","2012","68","2","o293","","10.1107/S1600536811056194","","","0.71073","MoKα","","0.1773","0.0739","","","0.1412","0.1779","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233418","12.3775","0.0007","12.8109","0.0008","13.5834","0.0009","101.497","0.004","99.142","0.003","99.718","0.003","2038.6","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","N,N-Diethyl-2-hydroxyethanaminium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate hemihydrate","","- C16 H21 Cl N5 O8.5 -","- C16 H21 Cl N5 O8.5 -","- C64 H84 Cl4 N20 O34 -","4","2","CV5228","Babykala, Rajamanickam; Kalaivani, Doraisamyraja","N,N-Diethyl-2-hydroxyethanaminium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate hemihydrate","Acta Crystallographica Section E","2012","68","2","o541","","10.1107/S1600536812003248","","","0.71073","MoKα","","0.0575","0.0434","","","0.1253","0.1376","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233419","7.3776","0.0012","16.038","0.003","12.1787","0.0019","90","","102.199","0.002","90","","1408.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquamagnesium(II) bis{5-[3-(1H-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate","","- C16 H30 Mg N16 O10 -","- C16 H30 Mg N16 O10 -","- C32 H60 Mg2 N32 O20 -","2","0.5","CV5229","Qiao, Cheng-Fang; Zhou, Chun-Sheng","Hexaaquamagnesium(II) bis{5-[3-(1H-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate","Acta Crystallographica Section E","2012","68","2","m173","","10.1107/S1600536812001250","","","0.71073","MoKα","","0.0523","0.0429","","","0.1172","0.1263","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233420","10.4653","0.0015","8.0606","0.0012","13.711","0.002","90","","108.702","0.001","90","","1095.5","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Dimethyl-N^1^,N^4^-bis(1-phenylethyl)-1,4-dihydro- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C22 H26 N6 O2 -","- C22 H26 N6 O2 -","- C44 H52 N12 O4 -","2","1","CV5230","Rao, Guo-Wu; Li, Qi; Lu, Xiao-Jing","3,6-Dimethyl-N^1^,N^4^-bis(1-phenylethyl)-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","2","o428","","10.1107/S160053681200133X","","","0.71073","MoKα","","0.0298","0.0278","","","0.0704","0.0722","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233421","16.791","0.002","18.218","0.002","7.7461","0.0009","90","","92.233","0.002","90","","2367.7","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^- bis[diaqua(2,2'-bipyridyl-κ^2^N,N')zinc] bis[2-(1H-benzotriazol-1-yl)acetate] hexahydrate","","- C38 H48 N10 O18 Zn2 -","- C38 H48 N10 O18 Zn2 -","- C76 H96 N20 O36 Zn4 -","2","0.5","CV5232","Zeng, Ling; Wang, Qinglin","μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^-bis[diaqua(2,2'-bipyridyl-κ^2^N,N')zinc] bis[2-(1H-benzotriazol-1-yl)acetate] hexahydrate","Acta Crystallographica Section E","2012","68","2","m196","","10.1107/S1600536812001778","","","0.71073","MoKα","","0.1174","0.0541","","","0.0889","0.111","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233422","15.259","0.002","17.957","0.003","18.665","0.003","111.163","0.002","98.201","0.002","111.273","0.002","4218.3","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-chloro-1,10-phenanthroline-κ^2^N,N')(thiocyanato- κN)zinc (2-chloro-1,10-phenanthroline- κ^2^N,N')tris(thiocyanato-κN)zincate","","- C40 H21 Cl3 N10 S4 Zn2 -","- C40 H21 Cl3 N10 S4 Zn2 -","- C160 H84 Cl12 N40 S16 Zn8 -","4","2","CV5234","Liu, Qing Hua; Liu, Shu Lian; Chi, Yan Hui; Shi, Jing Min","Bis(2-chloro-1,10-phenanthroline-κ^2^N,N')(thiocyanato-κN)zinc (2-chloro-1,10-phenanthroline-κ^2^N,N')tris(thiocyanato-κN)zincate","Acta Crystallographica Section E","2012","68","2","m202","","10.1107/S1600536812002280","","","0.71073","MoKα","","0.1201","0.0719","","","0.2227","0.2497","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233423","9.8169","0.0015","9.8846","0.0015","20.601","0.003","81.133","0.005","82.922","0.006","84.085","0.006","1952.9","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetraphenyl-1H-imidazole","","- C27 H20 N2 -","- C27 H20 N2 -","- C108 H80 N8 -","4","2","CV5236","Zhao, Bing; Li, Zhi-yu; Fan, Meng-jiao; Song, Bo; Deng, Qi-gang","1,2,4,5-Tetraphenyl-1H-imidazole","Acta Crystallographica Section E","2012","68","2","o542","","10.1107/S1600536812003145","","","0.71073","MoKα","","0.0503","0.0367","","","0.0851","0.0901","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233424","6.6884","0.0003","16.9271","0.0005","13.5543","0.0004","90","","100.186","0.003","90","","1510.37","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquabis(isonicotinamide-κN^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H38 N4 Ni O16 -","- C26 H38 N4 Ni O16 -","- C52 H76 N8 Ni2 O32 -","2","0.5","CV5237","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","trans-Tetraaquabis(isonicotinamide-κN^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2012","68","2","m200","m201","10.1107/S1600536812002218","","","0.71073","MoKα","","0.0559","0.051","","","0.1546","0.1566","","","","","","1.261","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233425","13.209","0.003","13.789","0.003","5.8714","0.0012","90","","98.27","0.03","90","","1058.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(4-Bromobenzylidene)amino cyclopropanecarboxylate","","- C11 H10 Br N O2 -","- C11 H10 Br N O2 -","- C44 H40 Br4 N4 O8 -","4","1","DS2156","Liu, Xing-Hai; Tan, Cheng-Xia; Weng, Jian-Quan; Liu, Hui-Jun","(E)-(4-Bromobenzylidene)amino cyclopropanecarboxylate","Acta Crystallographica Section E","2012","68","2","o493","","10.1107/S1600536812002048","","","0.71073","MoKα","","0.0491","0.0384","","","0.0796","0.0821","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233426","9.5027","0.0012","7.0759","0.0009","16.931","0.002","90","","94.375","0.003","90","","1135.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-12H-benzimidazo[2,1-b][1,3]benzothiazin-12-one","","- C14 H7 F N2 O S -","- C14 H7 F N2 O S -","- C56 H28 F4 N8 O4 S4 -","4","1","DS2160","Wang, Zhiming; Yu, Bin; Zhang, Xiuqin; Cui, Yuan; Sun, Xiaoqiang","3-Fluoro-12H-benzimidazo[2,1-b][1,3]benzothiazin-12-one","Acta Crystallographica Section E","2012","68","2","o390","","10.1107/S1600536811054948","","","0.71073","MoKα","","0.0445","0.0359","","","0.1018","0.1062","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233427","7.4198","0.0001","7.9792","0.0001","14.5014","0.0002","105.965","0.001","95.732","0.001","103.965","0.001","788.211","0.019","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","DS2170","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o534","","10.1107/S1600536812002887","","","0.71073","MoKα","","0.0372","0.0348","","","0.0961","0.0986","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233428","7.5277","0.0012","10.5517","0.0017","16.467","0.003","106.75","0.007","97.504","0.008","100.273","0.008","1209.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 3,5-dicarboxybenzenesulfonate methanol monosolvate","","- C25 H28 N2 O8 S -","- C25 H28 N2 O8 S -","- C50 H56 N4 O16 S2 -","2","1","EZ2270","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Yang, Huai","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 3,5-dicarboxybenzenesulfonate methanol monosolvate","Acta Crystallographica Section E","2012","68","2","o281","","10.1107/S1600536811054419","","","0.71073","MoKα","","0.052","0.048","","","0.1136","0.1163","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233429","20.006","0.006","13.61","0.004","14.252","0.004","90","","111.344","0.005","90","","3614.4","1.8","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Diethyl 2,2-bis(3,5-di-tert-butyl-4-hydroxybenzyl)malonate","","- C37 H56 O6 -","- C37 H56 O6 -","- C148 H224 O24 -","4","0.5","FB2240","Zeng, Tao; Hou, Yu-Ping; Ren, Wan-Zhong; Xu, Wen-You","Diethyl 2,2-bis(3,5-di-tert-butyl-4-hydroxybenzyl)malonate","Acta Crystallographica Section E","2012","68","2","o448","","10.1107/S1600536811054900","","","0.71073","MoKα","","0.0951","0.0527","","","0.1355","0.1508","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233430","9.1261","0.0002","9.5308","0.0002","10.5577","0.0002","72.228","0.001","79.702","0.001","85.724","0.001","860.19","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Cyclohexyl-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C38 H48 O6 S2 -","2","1","FF2049","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(5-Cyclohexyl-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","2","o397","","10.1107/S1600536811055152","","","0.71073","MoKα","","0.043","0.0363","","","0.0932","0.0975","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233431","10.2342","0.0006","10.5673","0.0006","27.3485","0.0017","90","","90","","90","","2957.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C128 H128 N16 O48 -","8","1","FF2050","Wang, Peng-Peng; Lin, Qiu-Yue; Zhang, Fan","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2012","68","2","o381","","10.1107/S1600536812000542","","","0.71073","MoKα","","","0.0825","","","0.1879","0.224","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233432","12.1252","0.0007","12.1252","0.0007","14.6108","0.0017","90","","90","","90","","2148.1","0.3","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Bis[(1S,1'S)-1,1'-(4-amino-4H-1,2,4-triazole-3,5- diyl)diethanol-κN^1^]bis(nitrato-κO)zinc","","- C12 H24 N10 O10 Zn -","- C12 H24 N10 O10 Zn -","- C48 H96 N40 O40 Zn4 -","4","0.5","FF2051","Liu, Xun-Gao; Shen, Liang; Cai, Qi-Suo; Luo, Ma","Bis[(1S,1'S)-1,1'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diethanol-κN^1^]bis(nitrato-κO)zinc","Acta Crystallographica Section E","2012","68","2","m191","m192","10.1107/S1600536812001754","","","0.71073","MoKα","","0.0419","0.0325","","","0.0834","0.0884","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233433","20.87","0.004","15.008","0.003","15.472","0.003","90","","109.51","0.03","90","","4567.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{1-[(1H-benzimidazol-2-yl)methyl]-1H-imidazole- κN^3^}bis(3,5-dicarboxybenzoato-κO^1^)zinc octahydrate","","- C40 H46 N8 O20 Zn -","- C40 H46 N8 O20 Zn -","- C160 H184 N32 O80 Zn4 -","4","0.5","FF2052","Zhao, Lei; Liu, Bingtao; Li, Ting; Meng, Xiangru","Bis{1-[(1H-benzimidazol-2-yl)methyl]-1H-imidazole-κN^3^}bis(3,5-dicarboxybenzoato-κO^1^)zinc octahydrate","Acta Crystallographica Section E","2012","68","2","m162","","10.1107/S160053681200147X","","","0.71073","MoKα","","0.0572","0.0543","","","0.1544","0.1578","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233434","4.4495","0.0007","17.699","0.003","4.3978","0.0007","90","","90","","90","","346.33","0.1","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","terbium (lithium zinc) distannide","","- Li0.8 Sn2 Tb Zn0.2 -","- Li0.8 Sn2 Tb Zn0.198 -","- Li3.2 Sn8 Tb4 Zn0.792 -","4","0.25","FI2120","Stetskiv, Andrij; Tarasiuk, Ivan; Rozdzynska-Kielbik, Beata; Oshchapovsky, Igor; Pavlyuk, Volodymyr","Terbium (lithium zinc) distannide, TbLi~1{‒~x}Zn~x~Sn~2~ (x = 0.2)","Acta Crystallographica Section E","2012","68","2","i16","","10.1107/S1600536812002103","","","0.71073","MoKα","","0.046","0.027","","","0.0544","0.0664","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233435","18.0947","0.0013","8.8967","0.0006","12.1638","0.0009","90","","101.421","0.002","90","","1919.4","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{2,6-Bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine- κ^3^N,N',N''}dichloridonickel(II)","","- C19 H9 Cl2 F6 N3 Ni -","- C19 H9 Cl2 F6 N3 Ni -","- C76 H36 Cl8 F24 N12 Ni4 -","4","0.5","FJ2491","Baldovino-Pantaleón, Oscar; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","A second monoclinic polymorph of {2,6-bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine-κ^3^N,N',N''}dichloridonickel(II)","Acta Crystallographica Section E","2012","68","2","m134","","10.1107/S1600536811055577","","","0.71073","MoKα","","0.0292","0.0245","","","0.057","0.0579","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233436","7.1772","0.0002","23.2178","0.0005","16.774","0.0004","90","","99.526","0.001","90","","2756.66","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3- c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate","","- C32 H34 N3 O4 S -","- C32 H34 N3 O4 S -","- C128 H136 N12 O16 S4 -","4","1","FJ2493","Bukhari, Mujahid Hussain; Ahmad, Matloob; Siddiqui, Hamid Latif; Gul, Salman; Parvez, Masood","3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate","Acta Crystallographica Section E","2012","68","2","o460","o461","10.1107/S1600536812000712","","","1.54178","CuKα","","0.067","0.057","","","0.15","0.158","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233437","10.2485","0.0003","11.2843","0.0003","11.9237","0.0004","65.213","0.002","75.17","0.002","76.052","0.002","1196.07","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2-Butyl-4-(4-tert-butylbenzyl)-1,2,4-triazol-3- ylidene]chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C25 H37 Cl Ir N3 -","- C25 H37 Cl Ir N3 -","- C50 H74 Cl2 Ir2 N6 -","2","1","FJ2494","Nichol, Gary S.; Walton, David P.; Anna, Laura J.; Rajaseelan, Edward","[2-Butyl-4-(4-tert-butylbenzyl)-1,2,4-triazol-3-ylidene]chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2012","68","2","m158","m159","10.1107/S1600536812000992","","","0.71073","MoKα","","0.0317","0.0245","","","0.0563","0.0592","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233438","6.5169","0.0011","11.245","0.002","9.7575","0.0017","90","","105.284","0.003","90","","689.8","0.2","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Cerium(III) dihydroxidohexaoxidotetraborate chloride","","- B4 Ce Cl H2 O8 -","- B4 Ce Cl H2 O8 -","- B16 Ce4 Cl4 H8 O32 -","4","1","FJ2495","Sun, Wei; Zhao, Biao-Chun; Huang, Ya-Xi; Mi, Jin-Xiao","Cerium(III) dihydroxidohexaoxidotetraborate chloride","Acta Crystallographica Section E","2012","68","2","i17","","10.1107/S1600536812002875","","","0.71073","MoKα","","0.0204","0.0203","","","0.0507","0.0508","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233439","6.8549","0.001","11.711","0.002","17.356","0.003","90","","91.607","0.013","90","","1392.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester","","- C31 H48 N2 O3 -","- C31 H48 N2 O3 -","- C62 H96 N4 O6 -","2","1","FJ2500","Froelich, A.; Bednarczyk-Cwynar, B.; Gzella, A. K.","3-Cyano-11-oxo-3,4-seco-12a-aza-C-homoolean-4(23)-en-28-oic acid methyl ester","Acta Crystallographica Section E","2012","68","2","o532","","10.1107/S1600536812002863","","","1.54178","CuKα","","0.0414","0.0387","","","0.1097","0.1124","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233440","9.4432","0.0008","8.6457","0.0007","5.254","0.0005","90","","108.003","0.006","90","","407.95","0.06","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","(sodium magnesium) [magnesium iron(III) silicon] disilicate","","- Fe0.17 Mg0.46 Na0.97 O6 Si2.4 -","- Fe0.17 Mg0.46 Na0.97 O6 Si2.4 -","- Fe0.68 Mg1.84 Na3.88 O24 Si9.6 -","4","1","FJ2504","Posner, Esther S.; Konzett, Jürgen; Frost, Daniel J.; Downs, Robert T.; Yang, Hexiong","High-pressure synthetic (Na~0.97~Mg~0.03~)(Mg~0.43~Fe~0.17~^3+^Si~0.40~)Si~2~O~6~, with six-coordinated silicon, isostructural with P2/n omphacite","Acta Crystallographica Section E","2012","68","2","i18","","10.1107/S1600536812002966","","","0.71073","MoKα","","0.0661","0.0356","","","0.0735","0.0851","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233441","7.6234","0.0012","12.3803","0.0019","15.877","0.002","90","","90","","90","","1498.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lysergol monohydrate","(7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3,2-fg]quinoline-9-yl)methanol monohydrate","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","FJ2506","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Lysergol monohydrate","Acta Crystallographica Section E","2012","68","2","o523","","10.1107/S1600536812002632","","","0.71073","MoKα","","0.1041","0.0361","","","0.0445","0.0515","","","","","","0.791","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233442","10.475","0.002","7.4792","0.0015","11.533","0.002","90","","92.339","0.004","90","","902.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[N- (thiophen-2-ylmethylidene)methanamine]","","- C17 H20 N2 O2 S2 -","- C17 H20 N2 O2 S2 -","- C34 H40 N4 O4 S4 -","2","1","FK2048","Jiang, Yan; Bian, Jing; Sun, Xiaoqiang","[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis[N-(thiophen-2-ylmethylidene)methanamine]","Acta Crystallographica Section E","2012","68","2","o430","","10.1107/S1600536812001298","","","0.71073","MoKα","","0.055","0.0381","","","0.0839","0.0924","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233443","9.1208","0.0015","11.3999","0.0019","13.661","0.002","72.869","0.003","77.504","0.003","87.276","0.003","1325","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-[(4'-Chloromethyl-[1,1'-biphenyl]-4-yl)methyl]bis(dimethylglyoximato- κ^2^N,N')(pyridine-κN)cobalt(III)","","- C27 H31 Cl Co N5 O4 -","- C27 H31 Cl Co N5 O4 -","- C54 H62 Cl2 Co2 N10 O8 -","2","1","FK2049","Kumar, Sarvendra; Thapa, Suresh","4-[(4'-Chloromethyl-[1,1'-biphenyl]-4-yl)methyl]bis(dimethylglyoximato-κ^2^N,N')(pyridine-κN)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m160","m161","10.1107/S1600536812001092","","","0.71073","MoKα","","0.057","0.047","","","0.1153","0.1246","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233444","3.7026","0.0003","17.4638","0.0016","11.6953","0.001","90","","92.21","0.007","90","","755.67","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Nitroantranilic acid","2-Amino-5-nitrobenzoic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","FK2050","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","2-Amino-5-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","2","o511","","10.1107/S1600536812002474","","","0.71073","MoKα","","0.1268","0.0636","","","0.1085","0.1273","","","","","","0.992","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2233445","8.959","0.002","9.123","0.002","10.124","0.0019","65.843","0.007","68.362","0.008","88.754","0.01","693.6","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-methyl-6-methylsulfanyl-4-phenylbenzene-1,3-dicarbonitrile","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C32 H26 N6 S2 -","2","1","FY2026","Liu, Xuan; Tang, Jianhong; Huang, Yunqiao; Zhang, Huawei; Li, Jiarong","2-Amino-5-methyl-6-methylsulfanyl-4-phenylbenzene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","2","o449","","10.1107/S1600536811055243","","","0.71073","MoKα","","0.0482","0.0374","","","0.0895","0.0922","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233446","7.581","0.0002","12.1216","0.0003","23.0379","0.0007","90","","97.254","0.003","90","","2100.1","0.1","294","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(carbamoylamino)imino]-2-(3-{1-[(carbamoylamino)imino]- 2-methoxy-2-oxoethyl}phenyl)acetate ethanol monosolvate monohydrate","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","1","FY2032","Ismatov, Dilmurot; Azizov, Umarkhon; Ashurov, Jamshid; Talipov, Samat","Methyl 2-[(carbamoylamino)imino]-2-(3-{1-[(carbamoylamino)imino]-2-methoxy-2-oxoethyl}phenyl)acetate ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","2","o464","","10.1107/S1600536812001237","","","1.54184","CuKα","","0.064","0.0425","","","0.116","0.1253","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233447","10.3619","0.0006","10.7721","0.001","11.6433","0.0008","70.523","0.007","72.495","0.005","70.197","0.007","1126.65","0.16","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Dibenzyl-N''-(2,4-difluorobenzoyl)- N,N'-dimethylphosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","1","FY2035","Pourayoubi, Mehrdad; Shoghpour, Samad; Torre-Fernández, Laura; García-Granda, Santiago","N,N'-Dibenzyl-N''-(2,4-difluorobenzoyl)-N,N'-dimethylphosphoric triamide","Acta Crystallographica Section E","2012","68","2","o270","o271","10.1107/S1600536811055115","","","1.54184","CuKα","","0.0834","0.0505","","","0.1206","0.1405","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233448","24.617","0.005","6.0285","0.0012","17.806","0.004","90","","93.08","0.03","90","","2638.7","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Benzoic acid‒3,4-bis[(pyridin-3-ylmethyl)amino]cyclobut-3-ene-1,2-dione (1/2)","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C120 H104 N16 O24 -","4","0.5","FY2039","Lemmerer, Andreas; Bourne, Susan A.","Benzoic acid‒3,4-bis[(pyridin-3-ylmethyl)amino]cyclobut-3-ene-1,2-dione (1/2)","Acta Crystallographica Section E","2012","68","2","o384","","10.1107/S1600536812000220","","","0.71073","MoKα","","","0.0436","","","","0.116","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233449","13.3926","0.0014","8.4991","0.0008","12.3361","0.0012","90","","106.538","0.01","90","","1346.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate","","- C12 H14 Cl N3 O3 -","- C12 H14 Cl N3 O3 -","- C48 H56 Cl4 N12 O12 -","4","1","GG2073","Kapoor, Kamini; Gupta, Vivek K.; Deshmukh, Madhukar B.; Shripanavar, Chetan S.; Kant, Rajni","Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o469","","10.1107/S1600536812001948","","","0.71073","MoKα","","0.1143","0.0651","","","0.1565","0.1911","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233450","9.3371","0.0002","11.3093","0.0003","13.1984","0.0003","102.364","0.001","93.094","0.001","94.01","0.001","1354.64","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]","","- C32 H18 F4 N4 S2 -","- C32 H18 F4 N4 S2 -","- C64 H36 F8 N8 S4 -","2","1","GK2426","Betz, Richard; Gerber, Thomas; Hosten, Eric; Samshuddin, Serenthimata; Narayana, Badiadka; Sarojini, Balladka K.","2,2'-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]","Acta Crystallographica Section E","2012","68","2","o476","o477","10.1107/S1600536812001912","","","0.71073","MoKα","","0.0497","0.0431","","","0.0995","0.1063","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233451","9.7621","0.0006","10.6324","0.0005","10.7923","0.0005","103.412","0.004","115.389","0.005","92.133","0.004","972.41","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Trimethyl(triphenylmethoxy)silane","","- C22 H24 O Si -","- C22 H24 O Si -","- C44 H48 O2 Si2 -","2","1","GK2444","Anthal, Sumati; Banerjee, Bubun; Brahmacharia, Goutam; Kant, Rajni; Gupta, Vivek K.","Trimethyl(triphenylmethoxy)silane","Acta Crystallographica Section E","2012","68","2","o556","","10.1107/S1600536812003170","","","0.71073","MoKα","","0.0772","0.0488","","","0.1168","0.1333","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233452","11.024","0.002","12.119","0.002","13.875","0.003","90","","104.55","0.03","90","","1794.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C84 H80 Br4 N4 O8 -","4","1","GK2449","Zhao, Qun","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","2","o529","","10.1107/S1600536812002620","","","0.71073","MoKα","","0.0694","0.0447","","","0.092","0.1017","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233453","10.1911","0.0002","22.548","0.0004","8.9736","0.0002","90","","112.449","0.001","90","","1905.77","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(phenylcarbamothioyl)acetamide","3-Acetyl-1-phenylthiourea","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C72 H80 N16 O8 S8 -","8","2","GK2451","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Samiullah","3-Acetyl-1-phenylthiourea","Acta Crystallographica Section E","2012","68","2","o508","","10.1107/S1600536812002371","","","0.71073","MoKα","","0.0596","0.0451","","","0.1195","0.1293","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233454","7.937","0.0003","26.4456","0.0009","7.0635","0.0002","90","","113.404","0.001","90","","1360.64","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 F O4 -","- C16 H13 F O4 -","- C64 H52 F4 O16 -","4","1","GK2452","Isloor, Arun M.; Garudachari, B.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-(4-Fluorophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2012","68","2","o513","","10.1107/S1600536812002577","","","0.71073","MoKα","","0.0432","0.0373","","","0.0933","0.0978","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233455","8.695","0.003","6.375","0.002","28.955","0.009","90","","98.19","0.04","90","","1588.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Hydroxyl-1-naphthaldehyde isonicotinoyl hydrazone nitrate","(E)-4-{2-[(2-Hydroxynaphthalen-1- yl)methylidene]hydrazinecarbonyl}pyridinium nitrate","","- C17 H14 N4 O5 -","- C17 H14 N4 O5 -","- C68 H56 N16 O20 -","4","1","GO2040","Bikas, Rahman; Hosseini Monfared, Hassan; Lis, Tadeusz; Siczek, Milosz","(E)-4-{2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazinecarbonyl}pyridinium nitrate","Acta Crystallographica Section E","2012","68","2","o367","o368","10.1107/S160053681200061X","","","0.71073","MoKα","","0.0674","0.0403","","","0.0952","0.1015","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233456","24.259","0.006","13.359","0.003","23.628","0.005","90","","90.418","0.007","90","","7657","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'- pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione","","- C20 H17 N3 O2 S2 -","- C20 H17 N3 O2 S2 -","- C320 H272 N48 O32 S32 -","16","2","GO2041","Natarajan, Sampath; Mathews, Rita","1'-Methyl-4'-phenyl-2''-sulfanylidenedispiro[indoline-3,2'-pyrrolidine-3',5''-1,3-thiazolidine]-2,4''-dione","Acta Crystallographica Section E","2012","68","2","o343","","10.1107/S1600536811056236","","","0.71073","MoKα","","0.1119","0.0708","","","0.1383","0.1545","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233457","9.391","0.0019","9.4943","0.0019","9.976","0.002","109.32","0.03","96.86","0.03","119.59","0.03","685.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Trifluoromethyl-1H-benzimidazol-3-ium naphthalene-1,5-disulfonate","","- C26 H18 F6 N4 O6 S2 -","- C26 H18 F6 N4 O6 S2 -","- C26 H18 F6 N4 O6 S2 -","1","0.5","GO2042","Liu, Ming-Liang","Bis(2-trifluoromethyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","2","o342","","10.1107/S1600536812000049","","","0.71073","MoKα","","0.0758","0.0534","","","0.1207","0.1315","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233458","8.5396","0.0005","9.9243","0.0007","21.9501","0.0013","90","","102.546","0.0014","90","","1815.8","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-[(E)-2-(2-Methoxyphenyl)ethenyl]-3,4,5,6,7,9-hexahydro-2H- xanthene-1,8-dione","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","GO2043","Cha, Joo Hwan; Pae, Ae Nim; Lee, Jae Kyun; Cho, Yong Seo","9-[(E)-2-(2-Methoxyphenyl)ethenyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","2","o454","","10.1107/S1600536812001419","","","0.71075","MoKα","","","0.0439","","","","0.1361","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233459","8.7943","0.0002","17.44","0.0002","8.661","0.0003","90","","90","","90","","1328.36","0.06","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","tripotassium dialuminotriarsenate(V)","","- Al2 As3 K3 O12 -","- Al2 As3 K3 O12 -","- Al8 As12 K12 O48 -","4","1","GW2112","Stöger, Berthold; Weil, Matthias","K~3~Al~2~As~3~O~12~","Acta Crystallographica Section E","2012","68","2","i15","","10.1107/S1600536812000438","","","0.71073","MoKα","","0.0229","0.0179","","","0.0376","0.0391","","","","","","0.8","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233460","7.497","0.004","9.136","0.005","9.443","0.007","78.289","0.019","77.858","0.019","67.72","0.02","579.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaquadiformatocobalt(II)]-μ-1,4- bis(1H-benzimidazol-1-yl)benzene] dihydrate]","","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","- C22 H24 Co N4 O8 -","1","0.5","HB6531","Huang, Ping-Yun; Wang, Jin-Guo; Guo, Sheng-Wu; Shi, Gang","catena-Poly[[[diaquadiformatocobalt(II)]-μ-1,4-bis(1H-benzimidazol-1-yl)benzene] dihydrate]","Acta Crystallographica Section E","2012","68","2","m94","","10.1107/S160053681105505X","","","0.71073","MoKα","","0.0391","0.0375","","","0.1044","0.1057","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233461","14.4352","0.0001","9.125","0.0001","15.4402","0.0002","90","","109.7","0.001","90","","1914.76","0.04","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate","","- C20 H19 N O5 S2 -","- C20 H19 N O5 S2 -","- C80 H76 N4 O20 S8 -","4","0.5","HB6544","Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","2","o258","","10.1107/S1600536811054808","","","0.71073","MoKα","","0.0336","0.031","","","0.0885","0.0904","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233462","7.161","0.0014","11.497","0.002","10.734","0.002","90","","105.45","0.03","90","","851.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine- 4,8(1H,5H)-dione","","- C16 H22 N2 O6 -","- C16 H22 N2 O6 -","- C32 H44 N4 O12 -","2","0.5","HB6550","Wang, Kunyan; Chen, Chen; Jiang, Peng; Shi, Lu; Zhu, Hong-Jun","1,5-Bis[(2-methoxyethoxy)methyl]-1,5-naphthyridine-4,8(1H,5H)-dione","Acta Crystallographica Section E","2012","68","2","o280","","10.1107/S1600536811054547","","","0.71073","MoKα","","0.0592","0.0451","","","0.1285","0.1402","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233463","19.9785","0.0005","20.4849","0.0004","11.4683","0.0008","90","","95.375","0.0014","90","","4672.9","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua[tris(2-{5-[(4-methylphenyl)diazenyl]-2- oxidobenzylideneamino}ethyl)amine]samarium(III) acetonitrile monosolvate","","- C50 H50 N11 O4 Sm -","- C50 H50 N11 O4 Sm -","- C200 H200 N44 O16 Sm4 -","4","1","HB6567","Salehzadeh, Sadegh; Mahdavian, Mahsa; Khalaj, Mehdi","Aqua[tris(2-{5-[(4-methylphenyl)diazenyl]-2-oxidobenzylideneamino}ethyl)amine]samarium(III) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","2","m96","","10.1107/S1600536811054961","","","0.71073","MoKα","","0.1474","0.0561","","","0.097","0.1284","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233464","4.78478","0.00011","15.7859","0.0005","19.4401","0.0005","90","","90","","90","","1468.35","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-O-α-L-fucopyranosyl α-D-galactopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C52 H96 O40 -","4","1","HB6569","Eriksson, Lars; Widmalm, Göran","Methyl 3-O-α-L-fucopyranosyl α-D-galactopyranoside: a synchrotron study","Acta Crystallographica Section E","2012","68","2","o528","","10.1107/S1600536812002279","","","0.907","synchrotron","","0.0716","0.0598","","","0.1523","0.1766","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233465","3.7989","0.0013","24.334","0.009","15.208","0.006","90","","93.035","0.005","90","","1403.9","0.9","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(3-Nitrobenzylidene)amino]-3-(pyridin-4-yl)-1H-1,2,4-triazole- 5(4H)-thione","","- C14 H10 N6 O2 S -","- C14 H10 N6 O2 S -","- C56 H40 N24 O8 S4 -","4","1","HB6570","Li, Tian-Bao; Yang, Ming-Sheng; Yin, Bang-Shao","4-[(3-Nitrobenzylidene)amino]-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","2","o279","","10.1107/S1600536811054444","","","0.71073","MoKα","","0.0604","0.0486","","","0.0978","0.103","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233466","8.794","0.002","12.532","0.003","14.292","0.005","112.911","0.007","96.033","0.007","107.296","0.005","1340.8","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[(E)-4-Diethylamino-2-hydroxybenzylidene]hydrazinecarboxamide","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C48 H72 N16 O8 -","4","2","HB6571","Fun, Hoong-Kun; Ooi, Chin Wei; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra N.","2-[(E)-4-Diethylamino-2-hydroxybenzylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","2","o380","","10.1107/S1600536812000311","","","0.71073","MoKα","","0.1448","0.068","","","0.1676","0.2198","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233467","4.8607","0.0002","12.5873","0.0004","21.1627","0.0009","90","","90","","90","","1294.8","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-[(E)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","","- C12 H11 I N2 O4 -","- C12 H11 I N2 O4 -","- C48 H44 I4 N8 O16 -","4","1","HB6573","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","N'-[(E)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","2","o413","o414","10.1107/S1600536811055826","","","1.54184","CuKα","","0.0595","0.0586","","","0.1562","0.1583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233468","15.795","0.005","13.083","0.004","11.012","0.004","90","","115.194","0.005","90","","2059.1","1.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis(2,3-Diaminopyridinium) phthalate dihydrate","Bis(2,3-diaminopyridinium) benzene-1,2-dicarboxylate dihydrate","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C72 H96 N24 O24 -","4","0.5","HB6574","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","Bis(2,3-diaminopyridinium) phthalate dihydrate","Acta Crystallographica Section E","2012","68","2","o402","","10.1107/S1600536811055838","","","0.71073","MoKα","","0.0657","0.0426","","","0.1111","0.125","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233469","10.7455","0.0003","12.2235","0.0003","16.1967","0.0004","86.162","0.001","80.917","0.001","88.275","0.001","2095.6","0.09","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H- benzimidazole-5-carboxylate","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","2","HB6575","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o308","o309","10.1107/S1600536811055966","","","0.71073","MoKα","","0.0523","0.0443","","","0.1252","0.1329","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233470","7.2601","0.0015","9.1716","0.0018","16.283","0.003","90","","90","","90","","1084.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Morpholin-4-ium hydrogen tartrate","","- C8 H15 N O7 -","- C8 H15 N O7 -","- C32 H60 N4 O28 -","4","1","HB6576","Liu, Ming-Liang","Morpholin-4-ium hydrogen tartrate","Acta Crystallographica Section E","2012","68","2","o289","","10.1107/S1600536811055759","","","0.71073","MoKα","","0.0484","0.0438","","","0.0951","0.0968","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233471","7.3041","0.0012","9.3952","0.0016","9.685","0.0016","83.813","0.002","88.172","0.002","89.033","0.002","660.35","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-Chloro-6,8-dinitroquinazolin-4(3H)-one acetic acid monosolvate","","- C10 H7 Cl N4 O7 -","- C10 H7 Cl N4 O7 -","- C20 H14 Cl2 N8 O14 -","2","1","HB6577","Yu, Yongqiang","7-Chloro-6,8-dinitroquinazolin-4(3H)-one acetic acid monosolvate","Acta Crystallographica Section E","2012","68","2","o304","","10.1107/S1600536811055735","","","0.71073","MoKα","","0.0587","0.0446","","","0.114","0.1234","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233472","6.0019","0.0016","8.838","0.003","21.555","0.003","90","","90","","90","","1143.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","HB6578","Wang, Dong-Yue; Liu, Min; Ma, Jing-Jun","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","Acta Crystallographica Section E","2012","68","2","o295","","10.1107/S1600536811055784","","","0.71073","MoKα","","0.0505","0.0389","","","0.0716","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233473","15.979","0.003","12.941","0.003","15.04","0.003","90","","121.72","0.03","90","","2645.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C120 H112 F8 N8 O16 -","8","1","HB6581","Fang, Rui-Qin; Song, Tao; Li, Yu-Xiang","(E)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o332","","10.1107/S1600536811055875","","","0.71073","MoKα","","0.1197","0.0637","","","0.1465","0.1793","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233474","8.7734","0.0002","11.1271","0.0002","17.9423","0.0003","90","","90","","90","","1751.57","0.06","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3- methylbenzylidene)hydrazinylidene]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C68 H64 Cl4 N12 O8 S4 -","4","1","HB6582","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Zia-Ur-Rehman, Muhammad","(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methylbenzylidene)hydrazinylidene]-3,4-dihydro-1H-2,1-benzothiazine 2,2-dioxide","Acta Crystallographica Section E","2012","68","2","o338","","10.1107/S1600536811056315","","","0.71073","MoKα","","0.0511","0.0364","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233475","6.0765","0.0009","8.0268","0.0007","10.9873","0.0016","72.501","0.01","87.597","0.01","67.88","0.02","471.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione","","- C8 H7 Cl N4 S -","- C8 H7 Cl N4 S -","- C16 H14 Cl2 N8 S2 -","2","1","HB6583","Natarajan, Sampath; Mathews, Rita","4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","2","o443","","10.1107/S1600536812000785","","","1.54184","CuKα","","0.0832","0.0798","","","0.2298","0.2355","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233476","5.7311","0.0011","13.136","0.003","6.7373","0.0013","90","","102.52","0.03","90","","495.15","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C12 H32 N4 O12 -","2","1","HB6584","Jin, Yu","2-[(2-Hydroxyethyl)azaniumyl]ethanaminium oxalate monohydrate","Acta Crystallographica Section E","2012","68","2","o337","","10.1107/S1600536811056157","","","0.71073","MoKα","","0.0507","0.038","","","0.0816","0.0861","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233477","16.1869","0.0005","10.8467","0.0003","15.9353","0.0004","90","","90","","90","","2797.83","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(N-Cyclohexylcarbamoyl)benzenesulfonamide","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","2","HB6585","Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Akram, Muhammad; Parvez, Masood","2-(N-Cyclohexylcarbamoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o370","","10.1107/S1600536812000633","","","0.71073","MoKα","","0.062","0.0533","","","0.1031","0.1103","","","","","","1.14","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233478","8.8677","0.0001","14.7225","0.0002","12.3564","0.0002","90","","119.355","0.001","90","","1406.05","0.04","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin- 2-yl)azanidyl]pyridinium","","- C5 H5 Cl5 N5 P3 -","- C5 H5 Cl5 N5 P3 -","- C20 H20 Cl20 N20 P12 -","4","1","HB6587","Ahmed, Safaa A.; Haque, Rosenani A.; Zetty, Zulikha H.; Fun, Hoong-Kun; Loh, Wan-Sin","2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-yl)azanidyl]pyridinium","Acta Crystallographica Section E","2012","68","2","o306","","10.1107/S160053681200013X","","","0.71073","MoKα","","0.0256","0.0234","","","0.0587","0.0605","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233479","21.814","0.004","9.0079","0.0015","13.188","0.002","90","","90","","90","","2591.4","0.8","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","","- C12 H12 F2 N2 O3 -","- C12 H12 F2 N2 O3 -","- C96 H96 F16 N16 O24 -","8","2","HB6590","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna","Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate","Acta Crystallographica Section E","2012","68","2","o422","","10.1107/S1600536812000803","","","0.71073","MoKα","","0.1416","0.0648","","","0.166","0.2191","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233480","7.2959","0.0001","16.3853","0.0002","13.0028","0.0002","90","","90","","90","","1554.43","0.04","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","","10-(4-Methylbenzylidene)anthracen-9(10H)-one","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","HB6592","Almansour, Abdulrahman I.; Arumugam, Natarajan; Karama, Usama; Razak, Ibrahim Abdul; Arshad, Suhana","10-(4-Methylbenzylidene)anthracen-9(10H)-one","Acta Crystallographica Section E","2012","68","2","o478","o479","10.1107/S1600536812000827","","","0.71073","MoKα","","0.046","0.0431","","","0.1195","0.122","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233481","9.6668","0.0011","9.6857","0.0007","10.1178","0.001","80.289","0.007","65.189","0.01","72.957","0.008","820.98","0.16","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Triphenyl(prop-2-yn-1-yl)silane","","- C21 H18 Si -","- C21 H18 Si -","- C42 H36 Si2 -","2","1","HB6593","Nelson, Björn; Schulte, Michaela; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","Triphenyl(prop-2-yn-1-yl)silane","Acta Crystallographica Section E","2012","68","2","o452","","10.1107/S1600536812001109","","","0.71073","MoKα","","0.087","0.0482","","","0.0811","0.0856","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233482","8.8278","0.0003","10.9177","0.0004","15.2698","0.0006","100.649","0.003","104.948","0.003","94.177","0.003","1386.1","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","(E)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine","","- C14 H11 F N4 O4 -","- C14 H11 F N4 O4 -","- C56 H44 F4 N16 O16 -","4","2","HB6595","Fun, Hoong-Kun; Nilwanna, Boonlerd; Chantrapromma, Suchada; Razak, Ibrahim Abdul","(E)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","2","o398","o399","10.1107/S1600536812000815","","","0.71073","MoKα","","0.1068","0.0662","","","0.1294","0.1437","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233483","9.635","0.005","10.222","0.006","11.974","0.007","98.491","0.013","95.296","0.015","93.573","0.006","1157.9","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","Diphenylmethyl isothiocyanate","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","2","HB6596","Zhao, Pei-Hua; Liu, Jun-Jie; Zhang, Mei; Zhao, Gui-Zhe; Liu, Ya-Qing","Diphenylmethyl isothiocyanate","Acta Crystallographica Section E","2012","68","2","o388","","10.1107/S1600536812000888","","","0.71073","MoKα","","0.0565","0.0344","","","0.074","0.0788","","","","","","0.894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233484","13.8553","0.0012","7.6197","0.0007","12.0114","0.0011","90","","104.937","0.005","90","","1225.23","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-2-hydroxy-N-(4-methylphenyl)benzamide","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","HB6597","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz; Shamshad, Sumaira","4-Chloro-2-hydroxy-N-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","2","o391","","10.1107/S1600536812000773","","","0.71073","MoKα","","0.1039","0.0563","","","0.1382","0.1631","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233485","7.6461","0.0002","18.5051","0.0005","16.7172","0.0005","90","","91.13","0.001","90","","2364.89","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one O-benzyloxime","","- C26 H26 Cl2 N2 O -","- C26 H26 Cl2 N2 O -","- C104 H104 Cl8 N8 O4 -","4","1","HB6599","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,6-Bis(4-chlorophenyl)-1,3-dimethylpiperidin-4-one O-benzyloxime","Acta Crystallographica Section E","2012","68","2","o525","","10.1107/S1600536812002152","","","0.71073","MoKα","","0.1157","0.0505","","","0.1242","0.1523","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233486","8.7047","0.0017","10.749","0.002","29.653","0.006","90","","90","","90","","2774.5","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl ent-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C31 H44 O5 -","- C31 H44 O5 -","- C124 H176 O20 -","4","1","HB6600","Wu, Ya; Wang, Xia; Gong, Jian-hong; Wei, Chang-yong; Tao, Jing-chao","Ethyl ent-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","2","o495","","10.1107/S1600536812001833","","","0.71073","MoKα","","0.0837","0.0652","","","0.1613","0.1717","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233487","7.4431","0.0015","9.0895","0.0018","9.3863","0.0019","78.46","0.03","77.79","0.03","67.86","0.03","569.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaquadiformatonickel(II)]-μ-1,4- bis(1H-benzimidazol-1-yl)benzene] dihydrate]","","- C22 H24 N4 Ni O8 -","- C22 H24 N4 Ni O8 -","- C22 H24 N4 Ni O8 -","1","0.5","HB6604","Li, Hui; Sun, Hong; Chai, Xiaochuan; Yao, Chenzhong","catena-Poly[[[diaquadiformatonickel(II)]-μ-1,4-bis(1H-benzimidazol-1-yl)benzene] dihydrate]","Acta Crystallographica Section E","2012","68","2","m216","","10.1107/S160053681200284X","","","0.71073","MoKα","","0.03","0.0269","","","0.0601","0.0613","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233488","5.9782","0.0001","8.792","0.0001","14.1028","0.0002","77.975","0.001","83.279","0.001","86.635","0.001","719.551","0.018","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3-(3-Cyanobenzyl)-1-methyl-1H-imidazol-3-ium hexafluorophosphate","","- C12 H12 F6 N3 P -","- C12 H12 F6 N3 P -","- C24 H24 F12 N6 P2 -","2","1","HB6605","Haque, Rosenani A.; Zetty, Zulikha H.; Salman, Abbas Washeel; Fun, Hoong-Kun; Ooi, Chin Wei","3-(3-Cyanobenzyl)-1-methyl-1H-imidazol-3-ium hexafluorophosphate","Acta Crystallographica Section E","2012","68","2","o489","o490","10.1107/S1600536812001882","","","0.71073","MoKα","","0.0553","0.0468","","","0.1171","0.1234","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233489","11.8544","0.0008","7.6731","0.0006","17.4048","0.0015","90","","96.202","0.006","90","","1573.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(3-methylphenyl)-5-phenyl-1H-pyrazole-4-carbonitrile","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","HB6607","Abdel-Aziz, Hatem A.; Al-Obaid, Abdul-Rahman M.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Acetyl-1-(3-methylphenyl)-5-phenyl-1H-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","2","o485","o486","10.1107/S160053681200181X","","","1.54178","CuKα","","0.1326","0.0589","","","0.1743","0.2273","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233490","5.7183","0.0002","8.7309","0.0003","46.9988","0.0019","90","","90","","90","","2346.46","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Di-tert-butyl (2R,3R)-2-({(2E)- 3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","","- C23 H30 O9 -","- C23 H30 O9 -","- C92 H120 O36 -","4","1","HB6610","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","1,4-Di-tert-butyl (2R,3R)-2-({(2E)-3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","2","o509","o510","10.1107/S160053681200236X","","","1.54184","CuKα","","0.0657","0.0525","","","0.1239","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233491","25.102","0.007","12.013","0.003","10.436","0.003","90","","96.248","0.004","90","","3128.3","1.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxyethyl (Z)-2-cyano-3-[(N-phenylcarbamoyl)amino]prop-2-enoate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C120 H136 N24 O32 -","8","1","HG5148","Zhong, Shihua; Wei, Dongmei; Liu, Jianbing; Liu, Bingyu","2-Ethoxyethyl (Z)-2-cyano-3-[(N-phenylcarbamoyl)amino]prop-2-enoate","Acta Crystallographica Section E","2012","68","2","o267","","10.1107/S1600536811055000","","","0.71073","MoKα","","0.0655","0.043","","","0.1051","0.1156","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233492","7.0556","0.0007","7.4852","0.0009","14.7821","0.0016","96.89","0.001","98.762","0.001","102.105","0.002","745.03","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-{[(E)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","HG5155","Zhao, Li; Dong, Xu-Tao; Xing, Si-Jia; Cheng, Qian; Zhao, Ji-Xing","1-(4-{[(E)-3-Ethoxy-2-hydroxybenzylidene]amino}phenyl)ethanone oxime","Acta Crystallographica Section E","2012","68","2","o429","","10.1107/S1600536812001213","","","0.71073","MoKα","","0.1289","0.0679","","","0.14","0.1679","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233493","6.9654","0.0001","17.852","0.0003","13.7121","0.0003","90","","97.833","0.002","90","","1689.14","0.05","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1H-imidazole","","- C19 H19 F N2 O2 -","- C19 H19 F N2 O2 -","- C76 H76 F4 N8 O8 -","4","1","HG5156","Rosepriya, S.; Thiruvalluvar, A.; Saravanan, K.; Jayabharathi, J.; Butcher, Ray J.","1-(3,5-Dimethoxyphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1H-imidazole","Acta Crystallographica Section E","2012","68","2","o256","","10.1107/S1600536811055012","","","1.54184","CuKα","","0.0571","0.0455","","","0.1296","0.1382","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233494","14.2119","0.0001","14.7895","0.0001","12.0968","0.0001","90","","90","","90","","2542.59","0.03","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Se2 -","- C18 H24 Cl2 N2 Pd2 Se2 -","- C72 H96 Cl8 N8 Pd8 Se8 -","4","1","HG5157","Chakravorty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Bis{μ-2-[(dimethylamino)methyl]benzeneselenolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m113","m114","10.1107/S1600536811055322","","","0.71073","MoKα","","0.0535","0.0505","","","0.1289","0.1314","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233495","15.764","0.0004","6.5194","0.0001","13.3093","0.0003","90","","93.579","0.002","90","","1365.15","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(2Z)-4-Oxo-4-phenylbut-2-en-2-yl]pyridine-4-carbohydrazide","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","HG5158","Bikas, Rahman; Anarjan, Parisa Mahboubi; Aslekhademi, Sanam; Ng, Seik Weng; Tiekink, Edward R. T.","N'-[(2Z)-4-Oxo-4-phenylbut-2-en-2-yl]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o412","","10.1107/S1600536812000529","","","1.54184","CuKα","","0.0464","0.0387","","","0.1015","0.1089","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233496","7.1545","0.0004","12.3681","0.0007","10.5151","0.0006","90","","94.18","0.01","90","","927.98","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cretinium hydrogen oxalate","{amino[(carboxymethyl)(methyl)amino]methylidene}azanium hydrogen oxalate","","- C6 H11 N3 O6 -","- C6 H11 N3 O6 -","- C24 H44 N12 O24 -","4","1","HG5159","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath","Creatinium hydrogen oxalate","Acta Crystallographica Section E","2012","68","2","o416","","10.1107/S1600536812000852","","","0.71073","MoKα","","0.0374","0.0367","","","0.1013","0.1022","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233497","8.839","0.0018","9.539","0.0019","10.515","0.002","70.22","0.03","65.29","0.03","86.66","0.03","754.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Tetrakis(1-allyl-1H-imidazole-κN^3^)bis(thiocyanato- κN)nickel(II)","","- C26 H32 N10 Ni S2 -","- C26 H32 N10 Ni S2 -","- C26 H32 N10 Ni S2 -","1","0.5","HG5160","Zheng, Shao-Mei; Jin, Yan-Ling","trans-Tetrakis(1-allyl-1H-imidazole-κN^3^)bis(thiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2012","68","2","m188","m189","10.1107/S1600536812001584","","","0.71073","MoKα","","0.052","0.0427","","","0.116","0.1244","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233498","11.1226","0.0005","6.249","0.0002","19.8635","0.0009","90","","96.505","0.002","90","","1371.73","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Chloro-N-cyclohexylbenzenesulfonamide","","- C12 H16 Cl N O2 S -","- C12 H16 Cl N O2 S -","- C48 H64 Cl4 N4 O8 S4 -","4","1","HG5164","Sharif, Shahzad; Mughal, Shumaila Younas; Khan, Islam Ullah; Akkurt, Mehmet; Khan, Muneeb Hayat","4-Chloro-N-cyclohexylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o468","","10.1107/S1600536812001870","","","0.71069","MoKα","","0.0931","0.0525","","","0.1257","0.1497","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233499","8.1841","0.0002","9.6606","0.0003","10.8619","0.0003","96.683","0.003","98.277","0.002","94.225","0.003","840.48","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[lead(II)-bis(μ~2~-quinolin-8-olato)- κ^3^N,O:O;κ^3^O:N,O] N,N-dimethylformamide hemisolvate]","","- C19.5 H15.5 N2.5 O2.5 Pb -","- C19.5 H15.5 N2.5 O2.5 Pb -","- C39 H31 N5 O5 Pb2 -","2","1","HG5166","Ghaemi, Akbar; Dadkhah, Zohreh; Ng, Seik Weng; Tiekink, Edward R. T.","catena-Poly[[lead(II)-bis(μ~2~-quinolin-8-olato)-κ^3^N,O:O;κ^3^O:N,O] N,N-dimethylformamide hemisolvate]","Acta Crystallographica Section E","2012","68","2","m210","","10.1107/S1600536812002796","","","0.71073","MoKα","","0.0243","0.0212","","","0.0468","0.0485","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233500","9.9585","0.0002","9.8949","0.0002","17.3612","0.0003","90","","100.746","0.002","90","","1680.74","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[(5-Chloro-2-oxidophenyl)iminomethyl]-4-bromophenolato- κ^3^O,N,O'}(methanol-κO)(methanolato- κO)oxidovanadium(V)","","- C15 H14 Br Cl N O5 V -","- C15 H14 Br Cl N O5 V -","- C60 H56 Br4 Cl4 N4 O20 V4 -","4","1","HG5167","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","{4-Bromo-2-[(5-chloro-2-oxidophenyl)iminomethyl]phenolato-κ^3^O,N,O'}(methanol-κO)(methanolato-κO)oxidovanadium(V)","Acta Crystallographica Section E","2012","68","2","m221","m222","10.1107/S160053681200311X","","","1.54184","CuKα","","0.0503","0.0463","","","0.1262","0.1312","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233501","7.5117","0.0015","11.4","0.002","12.896","0.004","90","","109.04","0.03","90","","1043.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1H-imidazole-5-carboxylato- κ^5^N^1^,O^5^:N^3^,O^4^:N^2^]nickel(II)]","","- C10 H7 N3 Ni O5 -","- C10 H7 N3 Ni O5 -","- C40 H28 N12 Ni4 O20 -","4","1","HP2024","Jing, Xue-Min; Gong, Shu-zhe; Xiao, Li-Wei","Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1H-imidazole-5-carboxylato-κ^5^N^1^,O^5^:N^3^,O^4^:N^2^]nickel(II)]","Acta Crystallographica Section E","2012","68","2","m187","","10.1107/S1600536812001900","","","0.71073","MoKα","","0.0656","0.0507","","","0.1116","0.1179","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233502","12.4002","0.001","8.457","0.0007","20.0316","0.0019","90","","97.278","0.004","90","","2083.8","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(3,5-dichlorosalicylidene)-2,2-dimethyl-1,3-propane copper(II)","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]}copper(II)","","- C19 H16 Cl4 Cu N2 O2 -","- C19 H16 Cl4 Cu N2 O2 -","- C76 H64 Cl16 Cu4 N8 O8 -","4","1","HP2025","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}copper(II)","Acta Crystallographica Section E","2012","68","2","m182","","10.1107/S160053681200195X","","","0.71073","MoKα","","0.1033","0.0469","","","0.0873","0.1053","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233503","25.2845","0.0017","7.3173","0.0004","16.6001","0.0009","90","","122.637","0.004","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate)","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","HY2497","Xu, Chao; Zhang, Jing-Jing; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis{2,2'-[(2-aminoethyl)azanediyl]diethanaminium} di-μ-sulfido-bis(disulfidogermanate)","Acta Crystallographica Section E","2012","68","2","m154","","10.1107/S160053681200092X","","","0.71073","MoKα","","0.0626","0.0418","","","0.0974","0.1111","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233504","9.881","0.002","10.373","0.002","11.964","0.002","102.51","0.03","105.07","0.03","111.16","0.03","1036.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","{(E)-4-Hydroxy-N'-[phenyl(pyridin-2-yl- κN)methylidene]benzohydrazide-κ^2^N',O}bis(nitrato- κ^2^O,O')copper(II)","","- C19 H15 Cu N5 O8 -","- C19 H15 Cu N5 O8 -","- C38 H30 Cu2 N10 O16 -","2","1","HY2498","Bikas, Rahman; Sattari, Farhad; Notash, Behrouz","{(E)-4-Hydroxy-N'-[phenyl(pyridin-2-yl-κN)methylidene]benzohydrazide-κ^2^N',O}bis(nitrato-κ^2^O,O')copper(II)","Acta Crystallographica Section E","2012","68","2","m132","m133","10.1107/S1600536811055772","","","0.71073","MoKα","","0.0763","0.0515","","","0.1524","0.1974","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233505","8.3846","0.0015","9.6352","0.0018","18.348","0.003","91.81","0.003","92.508","0.003","114.967","0.003","1340.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(10-methoxybenzo[h]quinolinium) tetrachloridozinc","","- C28 H24 Cl4 N2 O2 Zn -","- C28 H24 Cl4 N2 O2 Zn -","- C56 H48 Cl8 N4 O4 Zn2 -","2","1","HY2499","Dong, Zhenming; Liu, Bo","Bis(10-methoxybenzo[h]quinolinium) tetrachloridozinc","Acta Crystallographica Section E","2012","68","2","m131","","10.1107/S1600536811055462","","","0.71073","MoKα","","0.0925","0.0726","","","0.1823","0.22","","","","","","1.175","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233506","7.9552","0.0016","8.9453","0.0018","15.563","0.003","81.27","0.03","84.24","0.03","68.25","0.03","1015.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato- κ^4^O^2^,O^1^:O^1^,O^6^)-[(methanol- κO)sodium]-μ-perchlorato-κ^2^O:O']","","- C17 H18 Cl Cu Na O11 -","- C17 H18 Cl Cu Na O11 -","- C34 H36 Cl2 Cu2 Na2 O22 -","2","1","HY2501","Gao, Ting; Gao, Po; Li, Hong-Feng; Zhang, Ju-Wen; Xu, Li-Li","catena-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato-κ^4^O^2^,O^1^:O^1^,O^6^)-[(methanol-κO)sodium]-μ-perchlorato-κ^2^O:O']","Acta Crystallographica Section E","2012","68","2","m152","","10.1107/S1600536812000876","","","0.71073","MoKα","","0.0401","0.0336","","","0.0947","0.1078","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233507","8.8409","0.0005","10.814","0.0005","13.5141","0.0006","79.895","0.004","71.5","0.004","69.817","0.004","1146.86","0.11","138","2","138","2","","","","","","","","6","P -1","-P 1","2","","Aqua[1,8-bis(pyridin-2-yl)-3,6-dithiaoctane- κ^4^N,S,S',N']copper(II) dinitrate acetonitrile monosolvate","","- C18 H25 Cu N5 O7 S2 -","- C18 H25 Cu N5 O7 S2 -","- C36 H50 Cu2 N10 O14 S4 -","2","1","HY2502","Manzanera-Estrada, Mayra; Flores-Alamo, Marcos; Grevy M., Jean-Michel; Ruiz-Azuara, Lena; Ortiz-Frade, Luis","Aqua[1,8-bis(pyridin-2-yl)-3,6-dithiaoctane-κ^4^N,S,S',N']copper(II) dinitrate acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","2","m135","m136","10.1107/S1600536811056145","","","0.71073","MoKα","","0.0377","0.0295","","","0.0741","0.0757","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233508","12.1171","0.0007","15.9875","0.001","15.7498","0.0007","90","","121.739","0.003","90","","2594.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole- κ^2^N^2^,N^3^]bis(benzene-1,2-dicarboxylic acid-κO)copper(II) bis(2-carboxybenzoate)","","- C56 H42 Cu N12 O16 -","- C56 H42 Cu N12 O16 -","- C112 H84 Cu2 N24 O32 -","2","0.5","HY2503","Yan, Yan; Yu, Wen-Jing; Chen, Jing","Bis[4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole-κ^2^N^2^,N^3^]bis(benzene-1,2-dicarboxylic acid-κO)copper(II) bis(2-carboxybenzoate)","Acta Crystallographica Section E","2012","68","2","m129","m130","10.1107/S1600536812000128","","","0.71073","MoKα","","0.0491","0.0345","","","0.0909","0.0977","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233509","6.739","0.004","11.149","0.006","21.814","0.012","92.221","0.006","95.993","0.008","96.727","0.009","1616.6","1.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine- κN]chloridocopper(II)} hemihydrate","","- C64 H81 Cl4 Cu2 N8 O4.5 -","- C64 H81 Cl4 Cu2 N8 O4.5 -","- C64 H81 Cl4 Cu2 N8 O4.5 -","1","0.5","HY2504","Wang, Ying-Chun","Di-μ-chlorido-bis{bis[4-(adamantan-1-ylcarbamoyl)pyridine-κN]chloridocopper(II)} hemihydrate","Acta Crystallographica Section E","2012","68","2","m147","","10.1107/S1600536812000670","","","0.71073","MoKα","","0.0894","0.0689","","","0.1793","0.1968","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233510","12.1503","0.0006","10.7767","0.0005","16.2295","0.0008","90","","99.514","0.001","90","","2095.86","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,2-dimethoxyethane-κ^2^O,O')iodidocalcium iodide","","- C12 H30 Ca I2 O6 -","- C12 H30 Ca I2 O6 -","- C48 H120 Ca4 I8 O24 -","4","1","HY2505","Ou, Siou-Wei; Lu, Wei-Yi; Chen, Hsuan-Ying","Tris(1,2-dimethoxyethane-κ^2^O,O')iodidocalcium iodide","Acta Crystallographica Section E","2012","68","2","m172","","10.1107/S160053681200075X","","","0.71073","MoKα","","0.017","0.0162","","","0.043","0.0434","","","","","","1.193","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233511","15.165","0.003","10.858","0.002","25.976","0.008","90","","123.84","0.02","90","","3552.7","1.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Allyl(ferrocenylmethyl)dimethylammonium perchlorate","","- C16 H22 Cl Fe N O4 -","- C16 H22 Cl Fe N O4 -","- C128 H176 Cl8 Fe8 N8 O32 -","8","2","HY2506","Wang, Ying-Chun","Allyl(ferrocenylmethyl)dimethylammonium perchlorate","Acta Crystallographica Section E","2012","68","2","m180","","10.1107/S1600536812001766","","","0.71073","MoKα","","0.1373","0.0652","","","0.1365","0.1672","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233512","9.109","0.0012","12.3571","0.0017","17.024","0.002","92.684","0.002","101.551","0.002","92.493","0.002","1872.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^O^1^:O^1^)bis[(2,2'- bipyridine-κ^2^N:N')chloridocopper(II)] dihydrate","","- C36 H28 Cl2 Cu2 N6 O14 -","- C36 H28 Cl2 Cu2 N6 O14 -","- C72 H56 Cl4 Cu4 N12 O28 -","2","1","IM2329","Wang, Hui","Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^O^1^:O^1^)bis[(2,2'-bipyridine-κ^2^N:N')chloridocopper(II)] dihydrate","Acta Crystallographica Section E","2012","68","2","m95","","10.1107/S1600536811046782","","","0.71073","MoKα","","0.0799","0.0515","","","0.1321","0.1488","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233513","11.585","0.002","12.597","0.003","15.273","0.003","77.75","0.03","84.88","0.03","89.54","0.03","2169.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","cyclo-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3- diyl]di(1H-benzimidazole)- κ^2^N^3^:N^3'^}tetrakis[bromidocopper(I)]","","- C84 H88 Br12 Cu4 N16 -","- C84 H88 Br12 Cu4 N16 -","- C84 H88 Br12 Cu4 N16 -","1","0.5","IM2344","Wang, Xing; Liu, Chun-Bo; Yan, Yong-Sheng; Wang, Shen-Tang; Liu, Ling","cyclo-Tetrakis{μ-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1H-benzimidazole)-κ^2^N^3^:N^3'^}tetrakis[bromidocopper(I)]","Acta Crystallographica Section E","2012","68","2","m153","","10.1107/S160053681200102X","","","0.71073","MoKα","","0.1005","0.0791","","","0.167","0.1769","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233514","30.2449","0.0009","7.0841","0.0003","14.6755","0.0005","90","","90","","90","","3144.34","0.19","145","","145","","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-(5-Oxo-5H-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","","- C15 H11 N O4 S3 -","- C15 H11 N O4 S3 -","- C120 H88 N8 O32 S24 -","8","1","IM2348","Yang, Jian-Zhong; Pi, Wei-Yi; Luo, You-Fu","4-(5-Oxo-5H-1,2,4-dithiazol-3-yl)phenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","2","o450","","10.1107/S1600536811055607","","","0.7107","MoKα","","0.0403","0.0315","","","0.0731","0.0779","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233515","15.6732","0.0009","7.4208","0.0004","11.0544","0.0006","90","","103.169","0.006","90","","1251.9","0.12","180","2","180","2","","","","","","","","3","C 1 2 1","C 2y","5","","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b- hexahydroazuleno[4,5-b]furan-2(3H)-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","IM2349","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-b]furan-2(3H)-one","Acta Crystallographica Section E","2012","68","2","o386","","10.1107/S1600536812000165","","","0.71073","MoKα","","0.0311","0.0297","","","0.0789","0.0799","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233516","31.015","0.0006","17.501","0.0005","8.0461","0.0009","90","","90","","90","","4367.4","0.5","150","1","150","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,5-Diiodo-2-phenyl-1H-imidazole","","- C9 H6 I2 N2 -","- C9 H6 I2 N2 -","- C144 H96 I32 N32 -","16","","IM2350","Chlupatý, Tomáš; Pařík, Patrik; Padělková, Zdeňka","4,5-Diiodo-2-phenyl-1H-imidazole","Acta Crystallographica Section E","2012","68","2","o553","o554","10.1107/S1600536812003017","","","0.71073","MoKα","","0.0362","0.0289","","","0.0497","0.0513","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233517","35.338","0.003","35.338","0.003","10.566","0.0008","90","","90","","120","","11426.8","1.6","220","2","220","2","","","","","","","","5","R -3 :H","-R 3","148","","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","","- C29 H29 O S Sn -","- C29 H29 O S Sn -","- C522 H522 O18 S18 Sn18 -","18","1","IS5011","Ludwig, Gerd; Block, Michael; Wagner, Christoph; Steinborn, Dirk","[3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate","Acta Crystallographica Section E","2012","68","2","m149","","10.1107/S1600536811055474","","","0.71073","MoKα","","0.0415","0.0291","","0.0615","","0.065","","","0.99","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233518","18.499","0.0011","14.2097","0.0009","9.2422","0.0006","90","","98.542","0.001","90","","2402.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{N-ethyl-2-[3-(hydroxyimino-κN)butan-2- ylidene]hydrazinecarbothioamide-κ^2^N^2^,S}nickel(II) dichloride","","- C14 H28 Cl2 N8 Ni O2 S2 -","- C14 H28 Cl2 N8 Ni O2 S2 -","- C56 H112 Cl8 N32 Ni4 O8 S8 -","4","1","IS5020","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","Bis{N-ethyl-2-[3-(hydroxyimino-κN)butan-2-ylidene]hydrazinecarbothioamide-κ^2^N^2^,S}nickel(II) dichloride","Acta Crystallographica Section E","2012","68","2","m183","m184","10.1107/S1600536811055383","","","0.71073","MoKα","","0.0531","0.033","","","0.0801","0.0892","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233519","17.1691","0.0002","9.6694","0.0001","19.1447","0.0003","90","","109.171","0.001","90","","3002.05","0.07","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","6-[2-(2-Cyanoacetyl)hydrazin-1-ylidene]-5α-cholestan-3β-yl acetate","","- C32 H51 N3 O3 -","- C32 H51 N3 O3 -","- C128 H204 N12 O12 -","4","2","IS5021","Yusufzai, Samina Khan; Osman, Hasnah; Sulaiman, Othman; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Acetoxy-5α-cholestan-6-one 2-cyanoacetylhydrazone","Acta Crystallographica Section E","2012","68","2","o473","o474","10.1107/S1600536812001432","","","0.71073","MoKα","","0.0868","0.0537","","","0.1038","0.1174","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233520","8.9484","0.0001","13.8043","0.0002","35.4643","0.0005","90","","95.78","0.001","90","","4358.51","0.1","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{2-[3-(hydroxyimino-κN)butan-2-ylidene]-N- methylhydrazinecarbothioamide-κ^2^N^2^,S}nickel(II) dichloride","","- C12 H24 Cl2 N8 Ni O2 S2 -","- C12 H24 Cl2 N8 Ni O2 S2 -","- C96 H192 Cl16 N64 Ni8 O16 S16 -","8","2","IS5023","Abduelftah, Halema Shaban; Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","Bis{2-[3-(hydroxyimino-κN)butan-2-ylidene]-N-methylhydrazinecarbothioamide-κ^2^N^2^,S}nickel(II) dichloride","Acta Crystallographica Section E","2012","68","2","m108","m109","10.1107/S1600536811055395","","","0.71073","MoKα","","0.081","0.0433","","","0.0805","0.0929","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233521","6.7784","0.0003","25.2104","0.0011","8.4628","0.0004","90","","90.339","0.002","90","","1446.15","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C14 H12 Cl N3 S2 -","- C14 H12 Cl N3 S2 -","- C56 H48 Cl4 N12 S8 -","4","1","IS5024","Fun, Hoong-Kun; Suwunwong, Thitipone; Chantrapromma, Suchada","3-(4-Chlorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","2","o259","o260","10.1107/S1600536811054754","","","0.71073","MoKα","","0.0543","0.0488","","","0.1327","0.1384","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233522","8.437","0.005","13.229","0.005","19.165","0.005","90","","98.683","0.005","90","","2114.5","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dibutoxy-2,5-bis{(Z)-2-[4-(9H-carbazol- 9-yl)phenyl]ethenyl}benzene","","- C54 H48 N2 O2 -","- C54 H48 N2 O2 -","- C108 H96 N4 O4 -","2","0.5","IS5035","Fei, Wen-Wen; Li, Rui; Wang, Zhen-Yu; Wu, Jie-Ying","1,4-Dibutoxy-2,5-bis{(Z)-2-[4-(9H-carbazol-9-yl)phenyl]ethenyl}benzene","Acta Crystallographica Section E","2012","68","2","o321","","10.1107/S1600536812000414","","","0.71069","MoKα","","0.0637","0.0516","","","0.1394","0.153","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233523","9.6981","0.0008","15.3893","0.0011","13.8546","0.0011","90","","105.772","0.0007","90","","1989.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,4,4-Tetra-tert-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane","","- C40 H56 Cl2 Si4 -","- C40 H56 Cl2 Si4 -","- C80 H112 Cl4 Si8 -","2","0.5","IS5036","Otsuka, Kyohei; Ishida, Shintaro; Kyushin, Soichiro","1,1,4,4-Tetra-tert-butyl-1,4-dichloro-2,2,3,3-tetraphenyltetrasilane","Acta Crystallographica Section E","2012","68","2","o424","","10.1107/S1600536812000669","","","0.71073","MoKα","","0.0382","0.0374","","","0.0933","0.0937","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233524","8.338","0.002","8.61","0.002","18.923","0.005","90","","94.467","0.004","90","","1354.4","0.6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","IS5037","Suwunwong, Thitipone; Chantrapromma, Suchada; Karalai, Chatchanok; Wisitsak, Pitikan; Fun, Hoong-Kun","(E)-1-(Furan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o317","o318","10.1107/S1600536812000037","","","0.71073","MoKα","","0.1214","0.0643","","","0.1419","0.1753","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233525","9.9163","0.001","14.4759","0.0014","14.9917","0.0015","90","","103.663","0.002","90","","2091.1","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diiodidobis(2-phenylpyridine-κN)palladium(II)","","- C22 H18 I2 N2 Pd -","- C22 H18 I2 N2 Pd -","- C88 H72 I8 N8 Pd4 -","4","1","IS5038","Ha, Kwang","trans-Diiodidobis(2-phenylpyridine-κN)palladium(II)","Acta Crystallographica Section E","2012","68","2","m102","","10.1107/S1600536811055425","","","0.71073","MoKα","","0.1109","0.0407","","","0.0782","0.1104","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233526","25.2357","0.0006","8.5624","0.0002","16.0329","0.0004","90","","104.048","0.001","90","","3360.75","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N'-[(Z)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","IS5039","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Ejaz; Khan, Islam Ullah; Arshad, Muhammad Nadeem","N'-[(Z)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o352","","10.1107/S1600536812000402","","","0.71073","MoKα","","0.0789","0.0433","","","0.1033","0.1192","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233527","8.365","0.002","10.408","0.002","11.487","0.003","90","","91.768","0.004","90","","999.6","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Butylbis(dimethylglyoximato-κ^2^N,N')(pyridine- κN)cobalt(III)","","- C17 H28 Co N5 O4 -","- C17 H28 Co N5 O4 -","- C34 H56 Co2 N10 O8 -","2","1","IS5041","Kumar, Sarvendra; Thapa, Suresh","Butylbis(dimethylglyoximato-κ^2^N,N')(pyridine-κN)cobalt(III)","Acta Crystallographica Section E","2012","68","2","m156","m157","10.1107/S1600536812000967","","","0.71073","MoKα","","0.0464","0.0423","","","0.0954","0.0995","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233528","8.2713","0.0005","14.144","0.0009","9.0762","0.0006","90","","97.634","0.001","90","","1052.41","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-[1,4-Phenylenebis(methylene)]bis(N,N- diethylethanaminium) dibromide","","- C20 H38 Br2 N2 -","- C20 H38 Br2 N2 -","- C40 H76 Br4 N4 -","2","0.5","IS5042","Abdul Rahim, Munirah Sufiyah; Khaledi, Hamid; Alias, Yatimah; Welz-Biermann, Urs","N,N'-[1,4-Phenylenebis(methylene)]bis(N,N-diethylethanaminium) dibromide","Acta Crystallographica Section E","2012","68","2","o369","","10.1107/S1600536812000141","","","0.71073","MoKα","","0.0204","0.0174","","","0.0423","0.0433","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233529","15.6737","0.0005","8.2831","0.0002","22.3326","0.0007","90","","90","","90","","2899.37","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Ethyl-N-(4-methylphenyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","IS5044","Farrukh, Muhammad Akhyar; Faryal, Komal; Mahboob, Maymoona; Qureshi, Fahim Ashraf; Akkurt, Mehmet","N-Ethyl-N-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o326","","10.1107/S1600536812000177","","","0.71073","MoKα","","0.0654","0.0435","","","0.1166","0.1363","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233530","10.4583","0.0003","12.8103","0.0004","16.183","0.0005","90","","106.693","0.001","90","","2076.73","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(carbamoylcarbamothioyl)benzamide","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C72 H72 N24 O16 S8 -","8","1","IS5045","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","1-Benzoyl-2-thiobiuret","Acta Crystallographica Section E","2012","68","2","o395","","10.1107/S1600536812000621","","","0.71073","MoKα","","0.0539","0.0393","","","","0.1136","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233531","10.283","0.003","10.558","0.003","16.409","0.005","75.7","0.04","85.4","0.02","63.403","0.015","1542.7","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(E)-1-Benzylidene-2,2-diphenylhydrazine","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","2","IS5046","Mendoza, Angel; Meléndrez-Luevano, Ruth; Cabrera-Vivas, Blanca M.; Lozano-Márquez, Claudia D.; Carranza, Vladimir","(E)-1-Benzylidene-2,2-diphenylhydrazine","Acta Crystallographica Section E","2012","68","2","o434","","10.1107/S1600536812000657","","","0.71073","MoKα","","0.0964","0.0561","","","","0.176","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233532","9.8352","0.0013","5.7244","0.0006","14.419","0.0019","90","","96.285","0.012","90","","806.92","0.17","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(4-Methylphenyl)-1H-1,2,3,4-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C32 H32 N16 -","4","1","IS5047","Baek, Kwan; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(4-Methylphenyl)-1H-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","2","o394","","10.1107/S1600536812000797","","","0.71073","MoKα","","0.099","0.0671","","","0.1802","0.2108","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233533","3.8362","0.0002","9.0524","0.0003","24.8876","0.0011","90","","91.956","0.004","90","","863.76","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Dichlorophenyl)-1H-1,2,3,4-tetrazole","","- C7 H4 Cl2 N4 -","- C7 H4 Cl2 N4 -","- C28 H16 Cl8 N16 -","4","1","IS5049","Kalkhambkar, Rajesh G.; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(3,5-Dichlorophenyl)-1H-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","2","o433","","10.1107/S1600536812001225","","","0.71073","MoKα","","0.0674","0.0573","","","0.1097","0.1141","","","","","","1.174","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233534","10.558","0.002","9.287","0.002","11.047","0.002","90","","117.157","0.004","90","","963.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-Butyl 2-(1H-imidazol-1-yl)acetate","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C36 H56 N8 O8 -","4","1","IS5051","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","tert-Butyl 2-(1H-imidazol-1-yl)acetate","Acta Crystallographica Section E","2012","68","2","o445","","10.1107/S1600536812001067","","","0.71073","MoKα","","0.059","0.0401","","","0.0873","0.0965","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233535","6.0308","0.0012","8.1171","0.0016","8.7616","0.0018","116.55","0.04","93.7","0.03","106.1","0.03","359.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Ethoxy-1,3,4-thiadiazole-2(3H)-thione","","- C4 H6 N2 O S2 -","- C4 H6 N2 O S2 -","- C8 H12 N4 O2 S4 -","2","1","IS5053","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-Ethoxy-1,3,4-thiadiazole-2(3H)-thione","Acta Crystallographica Section E","2012","68","2","o503","","10.1107/S1600536812002024","","","0.71073","MoKα","","0.0464","0.0347","","","","0.106","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233536","11.5129","0.0002","7.0934","0.0001","22.3946","0.0004","90","","96.75","0.001","90","","1816.19","0.05","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","ent-15S-prima-8(14)-ene-15,16-diol Ceriotagalsin L","(S)-1-[(2S,4aR,8aR)-2,4b,8,8-tetramethyl- 2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethane-1,2-diol","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","2","IS5054","Fun, Hoong-Kun; Chantrapromma, Suchada; Pakhathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Kan","ent-(15S)-Pimar-8(14)-ene-15,16-diol","Acta Crystallographica Section E","2012","68","2","o520","o521","10.1107/S1600536812002565","","","0.71073","MoKα","","0.0491","0.0414","","","0.1008","0.1057","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233537","6.2688","0.0003","9.2387","0.0004","14.828","0.0007","90","","90","","90","","858.77","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Isopropylimidazolidine-2,4-dione monohydrate","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","IS5056","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Obaid, Abdulrahman M.; Hemamalini, Madhukar; Fun, Hoong-Kun","5-Isopropylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2012","68","2","o533","","10.1107/S1600536812002838","","","1.54178","CuKα","","0.0398","0.0366","","","0.0949","0.0977","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233538","3.9797","0.0005","20.138","0.003","14.4305","0.0018","90","","92.036","0.002","90","","1155.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide","","- C11 H11 N3 O2 S -","- C11 H11 N3 O2 S -","- C44 H44 N12 O8 S4 -","4","1","IS5058","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","N-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide","Acta Crystallographica Section E","2012","68","2","o544","","10.1107/S1600536812002978","","","0.71073","MoKα","","0.1094","0.0403","","","","0.0806","","","","","","0.744","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233539","13.9784","0.0011","13.5565","0.0011","8.3334","0.0007","90","","91.233","0.001","90","","1578.8","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide","","- C15 H15 Cl N2 O2 S -","- C15 H15 Cl N2 O2 S -","- C60 H60 Cl4 N8 O8 S4 -","4","1","IS5060","Fun, Hoong-Kun; Chantrapromma, Suchada; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","2-Amino-N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide","Acta Crystallographica Section E","2012","68","2","o547","o548","10.1107/S1600536812003261","","","0.71073","MoKα","","0.064","0.0493","","","0.1452","0.1628","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233540","14.035","0.002","14.842","0.002","12.3188","0.0016","90","","90","","90","","2566.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C18.5 H25 Cl3 N2 Pd2 Te2 -","- C74 H100 Cl12 N8 Pd8 Te8 -","4","1","JJ2116","Butcher, Ray J.; Chakravorty, Tapash; Singh, Harkesh B.","Bis{μ-2-[(dimethylamino)methyl]benzenetellurolato}bis[chloridopalladium(II)] dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m141","m142","10.1107/S1600536812000104","","","0.71073","MoKα","","0.0426","0.0392","","","0.1005","0.102","","","","","","1.062","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2233541","9.5635","0.0014","11.8971","0.0016","18.845","0.003","90","","94.581","0.002","90","","2137.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1- oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate","","- C32 H52 N8 Ni4 O14 -","- C32 H50 N8 Ni4 O14 -","- C64 H100 N16 Ni8 O28 -","2","0.5","KP2370","Tan, Shan-Yong; Chang, Fei; Gao, Yan-Peng","Di-μ~2~-acetato-di-μ~2~-azido-di-μ~3~-methanol-tetrakis{μ-2-[(2-methyl-1-oxidopropan-2-yl)iminomethyl]-6-methoxyphenolato}tetranickel(II) methanol disolvate","Acta Crystallographica Section E","2012","68","2","m150","m151","10.1107/S1600536811055164","","","0.71073","MoKα","","0.0401","0.0345","","","0.1041","0.1097","","","","","","0.837","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233542","5.4084","0.0006","12.2076","0.0014","19.391","0.002","90","","92.025","0.002","90","","1279.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,10-Bis[2-(prop-1-enyl)phenoxy]decane","","- C28 H38 O2 -","- C28 H38 O2 -","- C56 H76 O4 -","2","0.5","KP2373","Maharramov, Abel M.; Bayramov, Musa R.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Rashidov, Bahruz A.","1,10-Bis[2-(prop-1-enyl)phenoxy]decane","Acta Crystallographica Section E","2012","68","2","o266","","10.1107/S1600536811055061","","","0.71073","MoKα","","0.101","0.0693","","","0.2095","0.2447","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233543","14.6525","0.0003","10.2523","0.0003","19.2425","0.0004","90","","90","","90","","2890.64","0.12","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-Bis(2-methylphenyl)-3-nitroformazan","2-[(2-methylphenyl)amino]-3-[(2-methylphenyl)imino]-1,1-dioxoguanidine","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C120 H120 N40 O16 -","8","1","KP2378","von Eschwege, Karel G.; Hosten, Eric C.; Muller, Alfred","1,5-Bis(2-methylphenyl)-3-nitroformazan","Acta Crystallographica Section E","2012","68","2","o425","","10.1107/S1600536812001171","","","0.71073","MoKα","","0.0892","0.0603","","","","0.1797","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233544","7.7978","0.0009","10.7744","0.0012","35.325","0.004","90","","90","","90","","2967.9","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(5-phenyl-2,2'-bipyridine- κ^2^N,N')copper(I)]-μ-thiocyanido-κ^2^N:S]","","- C17 H12 Cu N3 S -","- C17 H12 Cu N3 S -","- C136 H96 Cu8 N24 S8 -","8","1","KP2379","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Wang, Hui","catena-Poly[[(5-phenyl-2,2'-bipyridine-κ^2^N,N')copper(I)]-μ-thiocyanido-κ^2^N:S]","Acta Crystallographica Section E","2012","68","2","m165","","10.1107/S1600536812000682","","","0.71073","MoKα","","0.051","0.0347","","","0.0838","0.0914","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233545","5.6262","0.0007","16.273","0.002","18.57","0.003","90","","90.125","0.004","90","","1700.2","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-9-(4-Chlorostyryl)-3,4,5,6,7,9-hexahydro-2H-xanthene- 1,8-dione","","- C21 H19 Cl O3 -","- C21 H19 Cl O3 -","- C84 H76 Cl4 O12 -","4","1","KP2380","Lee, Jae Kyun; Pae, Ae Nim; Cho, Yong Seo; Cha, Joo Hwan","(E)-9-(4-Chlorostyryl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","Acta Crystallographica Section E","2012","68","2","o501","","10.1107/S1600536812002139","","","0.71075","MoKα","","","0.0585","","","","0.1571","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233546","15.922","0.005","10.107","0.005","19.034","0.005","90","","90","","90","","3063","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C120 H144 I8 N8 O16 -","8","1","KP2383","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o506","","10.1107/S1600536812002255","","","0.71073","MoKα","","0.0441","0.0267","","","0.0651","0.0737","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233547","8.1369","0.0016","27.737","0.006","7.6709","0.0015","90","","98.51","0.03","90","","1712.2","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-Chlorophenyl){2-ethoxy-5-[(Z)-hydroxy(phenyl)methylidene]cyclopenta- 1,3-dien-1-yl}methanone","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","LD2041","Tinţaş, Mihaela-Liliana; Varga, Richard A.; Grosu, Ion; Bogdan, Elena","(3-Chlorophenyl){2-ethoxy-5-[(Z)-hydroxy(phenyl)methylidene]cyclopenta-1,3-dien-1-yl}methanone","Acta Crystallographica Section E","2012","68","2","o310","o311","10.1107/S1600536811055279","","","0.71073","MoKα","","0.0705","0.0614","","","0.1208","0.125","","","","","","1.171","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233548","8.1899","0.0003","8.8361","0.0004","8.9045","0.0004","101.624","0.002","106.694","0.001","114.898","0.001","519.89","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C20 H22 N2 O6 S2 -","2","1","LD2045","Khan, Muneeb Hayat; Khan, Islam Ullah; Mughal, Shumaila Younas; Akkurt, Mehmet","3-(Propan-2-yloxy)-1,2-benzothiazole 1,1-dioxide","Acta Crystallographica Section E","2012","68","2","o507","","10.1107/S1600536812002413","","","0.71073","MoKα","","0.0454","0.0361","","","0.0958","0.102","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233549","8.9859","0.0013","9.1601","0.0011","17.476","0.003","90","","93.629","0.005","90","","1435.6","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(thiophene-2-methyl)-2-(2-thiophene)benzimidazole","2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C64 H48 N8 S8 -","4","1","LH5359","Geiger, David K.; Geiger, H. Cristina; Williams, Leo; Noll, Bruce C.","2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole","Acta Crystallographica Section E","2012","68","2","o420","","10.1107/S1600536811055103","","","0.71073","MoKα","","0.0557","0.0395","","","0.095","0.1027","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233550","7.136","0.002","11.925","0.004","16.577","0.005","74.458","0.003","86.358","0.004","72.908","0.003","1298.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","μ-1,4-Bis(pyridin-4-ylmethyl)piperazine-κ^2^N:N'- bis[aquabis(3-bromo-5-carboxybenzoato-κO^1^)copper(II)]","","- C48 H40 Br4 Cu2 N4 O18 -","- C48 H40 Br4 Cu2 N4 O18 -","- C48 H40 Br4 Cu2 N4 O18 -","1","0.5","LH5391","Meyer, Jodi L.; LaDuca, Robert L.","μ-1,4-Bis(pyridin-4-ylmethyl)piperazine-κ^2^N:N'-bis[aquabis(3-bromo-5-carboxybenzoato-κO^1^)copper(II)]","Acta Crystallographica Section E","2012","68","2","m155","","10.1107/S1600536812000979","","","0.71073","MoKα","","0.0396","0.0336","","","0.0887","0.0918","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233551","11.0641","0.0007","9.8255","0.0005","30.7834","0.0014","90","","91.177","0.004","90","","3345.8","0.3","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-Chlorophenyl)-1-(5-hydroxy-2,2-dimethyl-2H- chromen-6-yl)prop-2-en-1-one","","- C20 H17 Cl O3 -","- C20 H17 Cl O3 -","- C160 H136 Cl8 O24 -","8","2","LH5397","Tang, Jie; Chen, Jin-ying; Jiang, Ling-qun","(E)-3-(4-Chlorophenyl)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o278","","10.1107/S1600536811055255","","","0.7107","MoKα","","0.1002","0.0543","","","0.1186","0.1445","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233552","9.9469","0.0003","10.5845","0.0003","11.3184","0.0003","69.679","0.001","67.374","0.001","70.135","0.001","1001.77","0.05","100","1","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1H- benzimidazole-5-carboxylate","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C46 H50 N6 O6 -","2","1","LH5398","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o251","o252","10.1107/S1600536811054833","","","0.71073","MoKα","","0.0664","0.0549","","","0.139","0.1478","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233553","8.09","0.002","9.547","0.003","14.047","0.004","77.299","0.006","76.198","0.005","67.488","0.004","963.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline-3- carboxylate","","- C20 H14 Cl2 F3 N O3 -","- C20 H14 Cl2 F3 N O3 -","- C40 H28 Cl4 F6 N2 O6 -","2","1","LH5400","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Isloor, Arun M.; Hegde, Gurumurthy","Ethyl 1-(2,4-dichlorobenzyl)-4-oxo-7-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","2","o435","o436","10.1107/S1600536812001249","","","0.71073","MoKα","","0.1083","0.0562","","","0.1457","0.1794","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233554","12.8499","0.0003","7.8836","0.0002","16.5274","0.0004","90","","108.376","0.001","90","","1588.91","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-1-(2,4-Dimethylphenyl)-3-phenyl-2-(1H-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","LH5401","Mu, Rui-Zhu","(Z)-1-(2,4-Dimethylphenyl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o465","","10.1107/S1600536812001390","","","0.71073","MoKα","","0.0479","0.0405","","","0.1057","0.1127","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233555","11.1692","0.0002","11.5498","0.0002","17.4607","0.0003","90","","109.21","0.001","90","","2127.05","0.07","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1H-benzimidazole-5-carboxylate","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","LH5402","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Wei, Ang Chee; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","2","o471","o472","10.1107/S1600536812001420","","","0.71073","MoKα","","0.0625","0.0495","","","0.1246","0.1343","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233556","12.4019","0.0008","8.1883","0.0006","20.3945","0.0013","90","","96.68","0.003","90","","2057","0.2","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)","","- C19 H16 Cl4 N2 Ni O2 -","- C19 H16 Cl4 N2 Ni O2 -","- C76 H64 Cl16 N8 Ni4 O8 -","4","1","LH5404","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]}nickel(II)","Acta Crystallographica Section E","2012","68","2","m193","","10.1107/S1600536812002085","","","0.71073","MoKα","","0.1405","0.0647","","","0.1074","0.1266","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233557","8.5972","0.0017","13.783","0.003","13.096","0.003","90","","101.23","0.03","90","","1522.1","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Ferrocenylmethyl)trimethylammonium perchlorate","","- C14 H20 Cl Fe N O4 -","- C14 H20 Cl Fe N O4 -","- C56 H80 Cl4 Fe4 N4 O16 -","4","1","LH5405","Wang, Ying-Chun","(Ferrocenylmethyl)trimethylammonium perchlorate","Acta Crystallographica Section E","2012","68","2","m197","","10.1107/S1600536812002176","","","0.71073","MoKα","","0.077","0.0567","","","0.1375","0.1484","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233558","7.6817","0.0001","10.4137","0.0002","13.4421","0.0002","90","","112.924","0.001","90","","990.38","0.03","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6,6-Trimethylcyclohex-2-enecarboxylic acid","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","LH5406","Parthasarathy, Rajasekaran; Jenniefer, Samson Jegan; Thomas Muthiah, Packianathan; Sulochana, Nagarajan","2,6,6-Trimethylcyclohex-2-enecarboxylic acid","Acta Crystallographica Section E","2012","68","2","o536","","10.1107/S1600536812002668","","","0.71073","MoKα","","0.0692","0.0485","","","0.1199","0.1339","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233559","15.6546","0.0013","6.205","0.0006","14.6546","0.0013","90","","113.774","0.002","90","","1302.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-[4-(Trifluoromethyl)benzylidene]-2,3-dihydro-1H-inden-1-one","","- C17 H11 F3 O -","- C17 H11 F3 O -","- C68 H44 F12 O4 -","4","1","LH5408","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Razak, Ibrahim Abdul; Arshad, Suhana","(E)-2-[4-(Trifluoromethyl)benzylidene]-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","2","o545","o546","10.1107/S1600536812003157","","","0.71073","MoKα","","0.0602","0.046","","","0.1178","0.1288","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233560","8.3971","0.0017","11.237","0.002","9.979","0.002","90","","104.82","0.03","90","","910.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromo-1H-indol-3-yl)acetonitrile","","- C10 H7 Br N2 -","- C10 H7 Br N2 -","- C40 H28 Br4 N8 -","4","1","LR2041","Mao, Qiu-Xia; Zhang, Chen-Guang; Li, Jin-Feng","2-(4-Bromo-1H-indol-3-yl)acetonitrile","Acta Crystallographica Section E","2012","68","2","o451","","10.1107/S1600536811054936","","","0.71073","MoKα","","0.1018","0.0733","","","0.1702","0.188","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233561","24.3527","0.001","7.2374","0.0003","7.0063","0.0003","90","","90","","90","","1234.86","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","LR2042","Garibov, Emin N.; Gojayeva, Sevinj S.; Allahverdiyev, Mirze A.; Gurbanov, Atash V. Gurbanov; Brito, Iván","1-(6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone","Acta Crystallographica Section E","2012","68","2","o276","","10.1107/S1600536811055309","","","0.71073","MoKα","","0.0545","0.0513","","","0.1365","0.1406","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233562","8.2485","0.0002","33.5624","0.0009","6.1854","0.0002","90","","93.001","0.002","90","","1710.01","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran monohydrate","","- C21 H15 F O5 S -","- C21 H15 F O5 S -","- C84 H60 F4 O20 S4 -","4","1","LR2043","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","2-(4-Fluorophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran monohydrate","Acta Crystallographica Section E","2012","68","2","o375","","10.1107/S160053681105553X","","","0.71073","MoKα","","0.0589","0.0477","","","0.1134","0.1199","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233563","10.1178","0.0007","10.1178","0.0007","8.9971","0.0008","90","","90","","120","","797.64","0.11","293","2","293","2","","","","","","","","4","P 31","P 31","144","","1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C33 H33 N9 O6 -","3","1","LR2044","Wang, Gai-Gai; Zhao, Hong","1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid","Acta Crystallographica Section E","2012","68","2","o322","","10.1107/S1600536811056297","","","0.71073","MoKα","","0.0937","0.0531","","","0.1007","0.1145","","","","","","0.977","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233564","12.1907","0.0003","6.8088","0.0002","21.459","0.0005","90","","120.521","0.001","90","","1534.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]","","- C5 H16 Cd2 Cl6 N2 O -","- C5 H16 Cd2 Cl6 N2 O -","- C20 H64 Cd8 Cl24 N8 O4 -","4","1","LR2045","Adib, Marwa; El Glaoui, Meher; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela; Ben Nasr, Cherif","Poly[piperazine-1,4-diium [μ~4~-chlorido-μ~3~-chlorido-tri-μ~2~-chlorido-chloridodicadmate(II)] monohydrate]","Acta Crystallographica Section E","2012","68","2","m175","","10.1107/S1600536812001626","","","0.71073","MoKα","","0.0199","0.0182","","","0.0442","0.0452","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233565","6.5052","0.0001","16.7418","0.0003","14.4935","0.0002","90","","97.883","0.001","90","","1563.55","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-b]furan","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","LR2049","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-b]furan","Acta Crystallographica Section E","2012","68","2","o549","","10.1107/S1600536812003121","","","0.71073","MoKα","","0.0475","0.0393","","","0.1013","0.1073","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233566","7.626","0.0003","8.2408","0.0003","10.1674","0.0004","98.462","0.001","106.282","0.001","104.807","0.001","576.25","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Morpholin-4-ium hydrogen L-tartrate monohydrate","","- C8 H17 N O8 -","- C8 H17 N O8 -","- C16 H34 N2 O16 -","2","1","LX2207","Kumar, T. Kishore; Anand, D. Prem; Selvakumar, S.; Pandi, S.; NizamMohideen, M.","Morpholin-4-ium hydrogen L-tartrate monohydrate","Acta Crystallographica Section E","2012","68","2","o299","","10.1107/S1600536811055620","","","0.71073","MoKα","","0.0471","0.0375","","","0.106","0.1129","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233567","9.432","0.0008","19.1552","0.0017","18.4511","0.0016","90","","101.931","0.001","90","","3261.6","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)- 1H-pyrazole","","- C19 H20 N4 -","- C19 H20 N4 -","- C152 H160 N32 -","8","2","LX2212","Bustos, Carlos; Pérez-Cerda, Marcia; Alvarez-Thon, Luis; Barrales-Salcedo, Enrique; Garland, Maria Teresa","(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole","Acta Crystallographica Section E","2012","68","2","o353","o354","10.1107/S1600536812000360","","","0.71073","MoKα","","0.0709","0.0456","","","0.1102","0.1212","","","","","","0.899","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233568","15.1162","0.0017","15.1162","0.0017","10.9448","0.0014","90","","90","","90","","2500.9","0.5","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","1-(Isopropylamino)-3-phenoxypropan-2-ol","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","LX2213","Hou, Xuehui; Li, Zigang; Lv, Quanjian","1-(Isopropylamino)-3-phenoxypropan-2-ol","Acta Crystallographica Section E","2012","68","2","o359","","10.1107/S1600536812000566","","","0.71073","MoKα","","0.1337","0.0643","","","0.1486","0.2211","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233569","4.169","0.0008","9.394","0.0019","15.88","0.003","90","","92.67","0.03","90","","621.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-N,N-dimethylacetamide","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C20 H32 N8 O4 -","4","1","LX2222","Liu, Shan; Zhu, Hong-Jun; Yu, Guo-Quan; Du, Gang; Lv, Liang-Zhong","2-Cyano-N,N-dimethylacetamide","Acta Crystallographica Section E","2012","68","2","o457","","10.1107/S1600536812000748","","","0.71073","MoKα","","0.1074","0.068","","","0.1467","0.1671","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233570","13.862","0.005","8.079","0.002","17.748","0.007","90","","108.372","0.018","90","","1886.3","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3- c][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","LX2223","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Hussain, Tanvir; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","2","o458","o459","10.1107/S1600536812001286","","","0.71073","MoKα","","0.0899","0.0626","","","0.1161","0.1323","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233571","12.4072","0.0004","9.8528","0.0004","24.7872","0.001","90","","90","","90","","3030.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","LX2224","Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Türktekin, Sevim; Akkurt, Mehmet","N-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2012","68","2","o437","","10.1107/S1600536812001274","","","0.71073","MoKα","","0.1304","0.0591","","","0.12","0.1459","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233572","16.7869","0.0004","15.1506","0.0006","20.6617","0.0006","90","","90","","90","","5254.9","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","loperamide monohydrate","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl- 2,2-diphenylbutanamide monohydrate","","- C29 H35 Cl N2 O3 -","- C29 H35 Cl N2 O3 -","- C232 H280 Cl8 N16 O24 -","8","1","LX2225","Jasinski, Jerry P.; Guild, Curtis J.; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","Redetermination of loperamide monohydrate","Acta Crystallographica Section E","2012","68","2","o539","o540","10.1107/S1600536812003091","","","0.71073","MoKα","","0.0548","0.0439","","","0.1008","0.1069","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233573","7.7919","0.0004","11.9518","0.0006","21.1315","0.001","90","","90","","90","","1967.92","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxymatrinium tetrachloridoferrate(III)","","- C15 H25 Cl4 Fe N2 O2 -","- C15 H25 Cl4 Fe N2 O2 -","- C60 H100 Cl16 Fe4 N8 O8 -","4","1","MW2043","He, Xiong; Wei, Xing Chuan; Tian, Yu Chang; Lai, Jia Xiong","Oxymatrinium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","2","m137","","10.1107/S1600536812000281","","","0.71073","MoKα","","0.0317","0.026","","","0.0591","0.0614","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233574","6.2988","0.0013","7.9684","0.0016","16.009","0.003","99.57","0.03","96.4","0.03","108.31","0.03","740.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C34 H36 N4 O2 -","2","1","MW2044","Su, Qing; Zhao, Qing","(E)-1-{6-[1-(2,6-Dimethylphenylimino)ethyl]pyridin-2-yl}ethanone","Acta Crystallographica Section E","2012","68","2","o360","","10.1107/S1600536811056327","","","0.71073","MoKα","","0.0659","0.0479","","","0.1324","0.1432","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233575","7.5784","0.0015","8.0972","0.0016","14.661","0.003","92.42","0.03","97.88","0.03","98.17","0.03","880.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-ethyl-1H-imidazol-3-ium) tetrachloridomercurate(II)","","- C10 H18 Cl4 Hg N4 -","- C10 H18 Cl4 Hg N4 -","- C20 H36 Cl8 Hg2 N8 -","2","1","NC2260","Zhu, Run-Qiang","Bis(2-ethyl-1H-imidazol-3-ium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2012","68","2","m148","","10.1107/S1600536811055371","","","0.71073","MoKα","","0.0465","0.0361","","","0.0607","0.0639","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233576","6.0888","0.0005","10.9415","0.0009","14.816","0.0011","90","","110.846","0.006","90","","922.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(H2DAT 2 ClO4)","3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)","","- C10 H24 Cl2 N4 O10 -","- C10 H24 Cl2 N4 O10 -","- C20 H48 Cl4 N8 O20 -","2","0.5","NC2261","Söhnel, Tilo; Wichmann, Kathrin A.; Doert, Thomas; Cooper, Garth J. S.","3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)","Acta Crystallographica Section E","2012","68","2","o333","o334","10.1107/S1600536811055516","","","0.71073","MoKα","","0.0543","0.0389","","","0.0825","0.0865","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233577","9.341","0.006","11.011","0.005","13.605","0.008","87.8","0.04","88.31","0.03","77.3","0.05","1363.8","1.4","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium","","- C24 H40 Cd N2 Si2 -","- C24 H40 Cd N2 Si2 -","- C48 H80 Cd2 N4 Si4 -","2","1","NC2262","Li, Min","Bis{[2-(dimethylamino)phenyl](trimethylsilyl)methyl}cadmium","Acta Crystallographica Section E","2012","68","2","m166","","10.1107/S1600536812001079","","","0.71073","MoKα","","0.0492","0.0407","","","0.0828","0.0864","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233578","10.264","0.0004","21.5488","0.0007","8.0061","0.0003","90","","108.587","0.004","90","","1678.4","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C60 H72 N16 O28 -","4","1","NC2263","Gao, Chao; Xiong, Ying; Xia, Yong; Yu, Luo-Ting","(Morpholin-4-yl)[2-(morpholin-4-yl)-3,5-dinitrophenyl]methanone","Acta Crystallographica Section E","2012","68","2","o376","","10.1107/S1600536812000426","","","0.7107","MoKα","","0.0683","0.0444","","","0.0958","0.1095","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233579","10.473","0.0004","12.2394","0.0005","13.4379","0.0005","67.542","0.002","82.511","0.002","80.294","0.002","1564.98","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H- pyrrolo[3,4-c]pyrrole-1,3-dione","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","2","NK2128","Roberts, Sue A.; Martinez-Ariza, Guillermo; Dietrich, Justin; Hulme, Christopher","2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione","Acta Crystallographica Section E","2012","68","2","o496","o497","10.1107/S1600536812001675","","","0.71073","MoKα","","0.0414","0.0358","","","0.0851","0.089","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233580","5.105","0.005","6.876","0.005","10.549","0.005","97.735","0.005","93.214","0.005","90.512","0.005","366.3","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","N,N'-(1,4-Phenylene)bis(4-chlorobutanamide)","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","1","0.5","NK2130","Cuzan, Olesea; Shova, Sergiu; Turta, Constantin; Mangalagiu, Ionel I.","N,N'-(1,4-Phenylene)bis(4-chlorobutanamide)","Acta Crystallographica Section E","2012","68","2","o463","","10.1107/S1600536812001341","","","0.71073","MoKα","","0.0503","0.0375","","","0.087","0.0918","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233581","9.9635","0.0007","19.0185","0.0014","16.0155","0.0009","90","","122.751","0.003","90","","2552.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido{N-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2- yl)ethanamine-κ^2^P,N}platinum(II) dichloromethane hemisolvate","","- C25.5 H23 Cl3 N P Pt S -","- C25.5 H23 Cl3 N P Pt S -","- C102 H92 Cl12 N4 P4 Pt4 S4 -","4","1","NR2014","Chiririwa, Haleden; Muller, Alfred","Dichlorido{N-[2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-κ^2^P,N}platinum(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","2","m116","m117","10.1107/S1600536811056108","","","0.71073","MoKα","","0.0451","0.0282","","","","0.0578","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233582","12.7113","0.0009","16.9355","0.0013","18.354","0.0011","90","","94.657","0.006","90","","3938.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)terbate(III)","","- C28 H24 F24 N O8 Tb -","- C28 H24 F24 N O8 Tb -","- C112 H96 F96 N4 O32 Tb4 -","4","1","PK2378","Van Deun, Rik; Van Der Voort, Pascal; Van Driessche, Isabel; Van Hecke, Kristof","Tetraethylammonium tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)terbate(III)","Acta Crystallographica Section E","2012","68","2","m111","m112","10.1107/S1600536811055437","","","0.71073","MoKα","","0.0897","0.0535","","","0.1052","0.1232","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233583","11.157","0.002","5.3216","0.001","13.689","0.003","90","","90","","90","","812.8","0.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-(Pyridin-2-yl)-1,3-dithiol-2-one","","- C8 H5 N O S2 -","- C8 H5 N O S2 -","- C32 H20 N4 O4 S8 -","4","1","PK2379","Zhou, Guoquan; Chen, Xinzhi","4-(Pyridin-2-yl)-1,3-dithiol-2-one","Acta Crystallographica Section E","2012","68","2","o432","","10.1107/S1600536812001407","","","0.71075","MoKα","","0.0339","0.0315","","","0.0792","0.0807","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233584","18.166","0.004","9.801","0.002","13.915","0.003","90","","93.36","0.03","90","","2473.2","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]","","- C5 H12 Bi Cl4 N O -","- C5 H12 Bi Cl4 N O -","- C40 H96 Bi8 Cl32 N8 O8 -","8","1","PK2380","Wang, Ying-Chun","catena-Poly[4-methylmorpholin-4-ium [[dichloridobismuth(III)]-di-μ-chlorido]]","Acta Crystallographica Section E","2012","68","2","m181","","10.1107/S1600536812001717","","","0.71073","MoKα","","0.045","0.0367","","","0.0814","0.0883","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233585","12.0911","0.0003","19.4713","0.0003","6.4482","0.0001","90","","90","","90","","1518.1","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","PK2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o456","","10.1107/S1600536812001547","","","0.71073","MoKα","","0.039","0.0317","","","0.0748","0.0784","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233586","24.38","0.006","11.141","0.004","14.996","0.005","90","","120.76","0.02","90","","3500","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2H,4H- pyrazolo[4,3-c][1,2]benzothiazine-5,5-dione","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C152 H136 N24 O24 S8 -","8","1","PK2383","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Bukhari, Iftikhar Hussain; Parvez, Masood","3,4-Dimethyl-2-(2-oxo-2-phenylethyl)-2H,4H-pyrazolo[4,3-c][1,2]benzothiazine-5,5-dione","Acta Crystallographica Section E","2012","68","2","o502","","10.1107/S1600536812002188","","","0.71073","MoKα","","0.1084","0.0693","","","0.127","0.1463","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233587","10.5704","0.0002","20.0667","0.0005","11.3741","0.0002","90","","110.666","0.001","90","","2257.35","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-5-(2-Chlorophenyl)-7-ethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-4-ium 2,4,6-trinitrophenolate","","- C21 H16 Cl N5 O8 S -","- C21 H16 Cl N5 O8 S -","- C84 H64 Cl4 N20 O32 S4 -","4","1","PK2384","Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, A. R.","(E)-5-(2-Chlorophenyl)-7-ethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-4-ium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2012","68","2","o516","o517","10.1107/S1600536812002607","","","0.71073","MoKα","","0.0352","0.0309","","","0.0771","0.0813","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233588","7.213","0.005","11.786","0.008","13.197","0.008","72.3","0.013","79.1","0.03","89.89","0.03","1047.7","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8- yl)iminomethyl]phenolato-κ^3^N,N',O^1^}tin(IV)","","- C20 H19 Cl3 N2 O3 Sn -","- C20 H19 Cl3 N2 O3 Sn -","- C40 H38 Cl6 N4 O6 Sn2 -","2","1","PK2385","Kawamoto, Keisuke; Shibahara, Takashi","Trichlorido{2-dimethoxymethyl-4-methyl-6-[(quinolin-8-yl)iminomethyl]phenolato-κ^3^N,N',O^1^}tin(IV)","Acta Crystallographica Section E","2012","68","2","m208","","10.1107/S1600536812002528","","","0.7107","MoKα","","","0.0415","","","","0.101","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233589","11.4723","0.0004","8.9548","0.0002","15.0543","0.0005","90","","96.99","0.002","90","","1535.07","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl (1R,1'S,2'S,7a'R)-2-oxo- 1'-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7- tetramethyltetrahydro-3aH- bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-1',2',5',6',7',7a'- hexahydro-2H-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","","- C32 H37 N O8 -","- C32 H37 N O8 -","- C64 H74 N2 O16 -","2","1","PV2491","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl (1R,1'S,2'S,7a'R)-2-oxo-1'-[(3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]-1',2',5',6',7',7a'-hexahydro-2H-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate","Acta Crystallographica Section E","2012","68","2","o382","o383","10.1107/S1600536811055760","","","0.71073","MoKα","","0.0741","0.0455","","","0.1091","0.1244","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233590","8.4146","0.0004","12.0699","0.0005","14.0185","0.0006","71.799","0.002","78.753","0.002","86.488","0.002","1326.56","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H- thiazolo[3,2-a]pyrimidine-6-carboxylate‒N,N- dimethylformamide (1/1)","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C54 H54 N6 O12 S2 -","2","1","PV2495","Banu, Noor Afshan; Bheema Raju, V.","Ethyl 2-(4-carboxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate‒N,N-dimethylformamide (1/1)","Acta Crystallographica Section E","2012","68","2","o441","","10.1107/S1600536812000050","","","0.71073","MoKα","","0.099","0.0575","","","0.1607","0.1781","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233591","8.989","0.0016","9.8432","0.0019","22.084","0.004","90","","90","","90","","1954","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3- azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","PV2496","Swaminathan, K.; Sethusankar, K.; Srinivasan, J.; Bakthadoss, M.","(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","Acta Crystallographica Section E","2012","68","2","o283","o284","10.1107/S1600536811055413","","","0.71073","MoKα","","0.1502","0.0813","","","0.2081","0.2521","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233592","8.3196","0.0002","18.3524","0.0005","18.6285","0.0005","83.577","0.002","87.539","0.002","88.237","0.002","2822.86","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","dapsone-1,3,5-trinitrobenzene 1:2 adduct","4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)","","- C24 H18 N8 O14 S -","- C24 H18 N8 O14 S -","- C96 H72 N32 O56 S4 -","4","2","PV2497","Smith, Graham; Wermuth, Urs D.","4-(4-Aminophenylsulfonyl)aniline‒1,3,5-trinitrobenzene (1/2)","Acta Crystallographica Section E","2012","68","2","o494","","10.1107/S1600536812001742","","","0.71073","MoKα","","0.0893","0.0418","","","0.0698","0.0768","","","","","","0.936","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233593","7.035","0.006","7.672","0.006","17.272","0.014","83.477","0.008","84.994","0.008","66.697","0.007","849.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate","","- C17 H15 Cl N2 O5 -","- C17 H15 Cl N2 O5 -","- C34 H30 Cl2 N4 O10 -","2","1","PV2498","Su, Deng-Cheng; Wang, Feng-Ting; Mao, Cheng-Gong; Qian, Shao-Song","4-[(E)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate","Acta Crystallographica Section E","2012","68","2","o303","","10.1107/S1600536811055590","","","0.71073","MoKα","","0.0687","0.0445","","","0.1037","0.1218","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233594","5.414","0.0011","14.88","0.003","21.304","0.004","90","","90","","90","","1716.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-(trifluoromethyl)aniline","","- C8 H8 F3 N O -","- C8 H8 F3 N O -","- C64 H64 F24 N8 O8 -","8","1","PV2499","He, Jian-Ling","4-Methoxy-3-(trifluoromethyl)aniline","Acta Crystallographica Section E","2012","68","2","o377","","10.1107/S160053681200030X","","","0.71073","MoKα","","0.0727","0.059","","","0.1517","0.1624","","","","","","1.126","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233595","30.004","0.004","6.6083","0.0009","15.123","0.002","90","","99.652","0.004","90","","2956.1","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","17-(Pyrimidin-2-yl)-8,16-dioxa-17- azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C144 H104 N24 O16 -","8","1","PV2501","Aslam, M.; Anis, I.; Afza, N.; Ibrahim, M.; Yousuf, S.","17-(Pyrimidin-2-yl)-8,16-dioxa-17-azatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadeca-2,4,6,10,12,14-hexaene","Acta Crystallographica Section E","2012","68","2","o440","","10.1107/S1600536812000931","","","0.71073","MoKα","","0.0611","0.0409","","","0.0865","0.0966","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233596","6.79","0.0002","8.1288","0.0003","14.6813","0.0005","76.763","0.002","84.145","0.002","73.241","0.002","754.73","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C34 H30 Cl2 O4 S2 -","2","1","PV2502","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o374","","10.1107/S160053681200027X","","","0.71073","MoKα","","0.0432","0.0368","","","0.101","0.1051","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233597","7.471","0.005","14.916","0.005","15.338","0.005","90","","90","","90","","1709.2","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpyridine‒urea (1/1)","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C56 H88 N24 O8 -","8","1","PV2503","Ashurov, Jamshid; Ibragimov, Bakhtiyar; Talipov, Samat","2-Methylpyridine‒urea (1/1)","Acta Crystallographica Section E","2012","68","2","o504","","10.1107/S1600536812002164","","","1.54184","CuKα","","0.0901","0.0557","","","0.1447","0.1665","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233598","5.4055","0.0002","11.2731","0.0003","11.6441","0.0003","72.07","0.001","83.088","0.001","77.76","0.001","658.59","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)- 4,5-dimethoxycyclopent-4-ene-1,3-dione","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","PV2504","Hosseinzadeh, Masoumeh; Mukhtar, Mat Ropi; Khalilzadeh, Mohammad Ali; Khaledi, Hamid","A triclinic polymorph of (E)-2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-4,5-dimethoxycyclopent-4-ene-1,3-dione","Acta Crystallographica Section E","2012","68","2","o453","","10.1107/S1600536812001043","","","0.71073","MoKα","","0.0406","0.0356","","","0.0936","0.0977","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233599","7.9079","0.0004","14.1253","0.0006","15.9555","0.0007","90","","90","","90","","1782.25","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-Ethoxyphenyl)formamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","PV2505","Rofouei, Mohammad Kazem; Attar Gharamaleki, Jafar; Younesian, Fereshteh; Bruno, Giuseppe; Rudbari, Hadi Amiri","N-(2-Ethoxyphenyl)formamide","Acta Crystallographica Section E","2012","68","2","o505","","10.1107/S160053681200205X","","","0.71073","MoKα","","0.0791","0.0433","","","0.1024","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233600","6.1034","0.0001","10.2278","0.0002","12.6731","0.0002","84.586","0.001","79.419","0.001","85.73","0.001","772.87","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","PV2507","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o482","","10.1107/S1600536812001523","","","0.71073","MoKα","","0.0388","0.0324","","","0.0833","0.0857","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233601","7.2993","0.0014","13.023","0.003","7.4445","0.0016","90","","91.217","0.004","90","","707.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-methyl-4-nitrophenol","3-Methyl-4-nitrophenol","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","PV2508","Dong, Su-Lan; Cheng, Xiaochun","3-Methyl-4-nitrophenol","Acta Crystallographica Section E","2012","68","2","o518","","10.1107/S160053681200253X","","","0.71073","MoKα","","0.0512","0.0433","","","0.1414","0.1475","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233602","8.064","0.002","10.775","0.003","10.462","0.004","90","","109.7","0.02","90","","855.8","0.5","296","1","296","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R,4S,5S,8S,10R,13R)- 3-Hydroxykaura-9(11),16-dien-18-oic acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","QK2025","Beattie, Karren D.; Bhadbhade, Mohan M.; Craig, Donald C.; Leach, David N.","(3R,4S,5S,8S,10R,13R)-3-Hydroxykaura-9(11),16-dien-18-oic acid","Acta Crystallographica Section E","2012","68","2","o526","o527","10.1107/S1600536812002206","","","0.71073","MoKα","","0.0689","0.0444","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233603","14.886","0.01","7.678","0.005","19.801","0.013","90","","104.944","0.009","90","","2187","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(2,4-dinitrophenyl)-4-nitropyrazole","3,5-Bis(2,4-dinitrophenyl)-4-nitro-1H-pyrazole acetone monosolvate","","- C18 H13 N7 O11 -","- C18 H13 N7 O11 -","- C72 H52 N28 O44 -","4","1","QK2027","Mathivathanan, Logesh","3,5-Bis(2,4-dinitrophenyl)-4-nitro-1H-pyrazole acetone monosolvate","Acta Crystallographica Section E","2012","68","2","o411","","10.1107/S1600536812001146","","","0.71073","MoKα","","0.1195","0.0639","","","0.1535","0.2023","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233604","13.992","0.004","7.219","0.002","30.232","0.009","90","","90","","90","","3053.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C120 H128 Br8 N8 O32 -","8","1","QM2045","Mao, Cheng-Gong; Wang, Shuang-Shuang; Su, Deng-Cheng; Qian, Shao-Song","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","Acta Crystallographica Section E","2012","68","2","o249","","10.1107/S1600536811054742","","","0.71073","MoKα","","0.085","0.0451","","","0.0948","0.1132","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233605","9.0746","0.0002","7.0262","0.0002","22.6919","0.0006","90","","93.185","0.003","90","","1444.6","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-3-carboxybenzoato- κ^5^O^1^:O^1^,O^1'^:O^1'^:O^3^)(quinolin- 8-olato-κ^2^N,O)lead(II)]","","- C17 H11 N O5 Pb -","- C17 H11 N O5 Pb -","- C68 H44 N4 O20 Pb4 -","4","1","QM2046","Ghaemi, Akbar; Dadkhah, Zohreh; Ng, Seik Weng; Tiekink, Edward R. T.","Poly[(μ~4~-3-carboxybenzoato-κ^5^O^1^:O^1^,O^1'^:O^1'^:O^3^)(quinolin-8-olato-κ^2^N,O)lead(II)]","Acta Crystallographica Section E","2012","68","2","m97","m98","10.1107/S160053681105495X","","","0.71073","MoKα","","0.0258","0.0211","","","0.0468","0.0486","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233606","7.4305","0.0017","25.596","0.002","7.7926","0.0018","90","","113.505","0.002","90","","1359.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-(2-Chlorobenzylidene)-2-methylbenzohydrazide","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","QM2047","Zhang, Wei-Guang","N'-(2-Chlorobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o357","","10.1107/S1600536812000463","","","0.71073","MoKα","","0.078","0.0584","","","0.1306","0.1409","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233607","9.1091","0.0007","11.5337","0.0008","11.8745","0.0009","63.23","0.007","80.596","0.006","79.97","0.006","1091.69","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","3,3-Dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1,2-dione","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","QM2048","Jordon, Jason A.; Badenock, Jeanese C.; Gribble, Gordon W.; Jasinski, Jerry P.; Golen, James A.","3,3-Dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1,2-dione (bruceolline E)","Acta Crystallographica Section E","2012","68","2","o364","o365","10.1107/S1600536812000517","","","0.71073","MoKα","","0.0639","0.0533","","","0.1472","0.1573","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233608","7.0214","0.0002","10.5094","0.0003","10.8854","0.0003","97.636","0.001","95.953","0.001","99.642","0.001","778.32","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)- 3-o-tolylacrylonitrile","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","QM2049","Govindan, E.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)-3-o-tolylacrylonitrile","Acta Crystallographica Section E","2012","68","2","o484","","10.1107/S1600536812001481","","","0.71073","MoKα","","0.0746","0.0496","","","0.1438","0.163","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233609","9.0231","0.0003","7.4338","0.0002","11.0392","0.0004","90","","92.114","0.001","90","","739.96","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-nitrobenzoic acid","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","QM2050","Win, Yip-Foo; Choong, Chen-Shang; Teoh, Siang-Guan; Quah, Ching Kheng; Fun, Hoong-Kun","2-Amino-3-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","2","o488","","10.1107/S1600536812002036","","","0.71073","MoKα","","0.0517","0.042","","","0.113","0.1205","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233610","24.934","0.018","8.439","0.003","14.143","0.008","90","","124.68","0.05","90","","2447","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Nonaaquapraseodymium triiodide‒thiourea (1/2)","","- C2 H26 I3 N4 O9 Pr S2 -","- C2 H26 I3 N4 O9 Pr S2 -","- C8 H104 I12 N16 O36 Pr4 S8 -","4","0.5","RK2319","Antonenko, Taisia A.; Alikberova, Lyudmila Yu.; Albov, Dmitry V.","Nonaaquapraseodymium triiodide‒thiourea (1/2)","Acta Crystallographica Section E","2012","68","2","m110","","10.1107/S1600536811054663","","","0.56085","Agkα","","0.0555","0.0404","","","0.0896","0.0998","","","","","","0.993","","","","has coordinates,has Fobs","194525","2020-10-21","18:00:00",""
"2233611","14.0061","0.0006","14.1511","0.0006","10.4179","0.0004","90","","90","","90","","2064.85","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one)","","- C25 H15 N O8 -","- C25 H15 N O8 -","- C100 H60 N4 O32 -","4","1","RK2323","Ravikumar, N.; Gopikrishna, G.; Solomon, K. Anand","3,3'-[(4-Nitrophenyl)methylene]bis(4-hydroxy-2H-chromen-2-one)","Acta Crystallographica Section E","2012","68","2","o265","","10.1107/S1600536811054778","","","0.71073","MoKα","","0.0398","0.0326","","","0.0843","0.0892","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233612","10.2641","0.0003","17.316","0.0006","16.6473","0.0005","90","","104.706","0.003","90","","2861.85","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato- κ^4^S,N^1^,O:O]bis[(pyridine-κN)zinc]","","- C26 H24 N8 O2 S2 Zn2 -","- C26 H24 N8 O2 S2 Zn2 -","- C104 H96 N32 O8 S8 Zn8 -","4","1","RK2324","Takjoo, Reza; Dutkiewicz, Grzegorz; Ahmadi, Mehdi; Kubicki, Maciej","Bis[μ-4-(2-oxidobenzylidene)thiosemicarbazidato-κ^4^S,N^1^,O:O]bis[(pyridine-κN)zinc]","Acta Crystallographica Section E","2012","68","2","m106","m107","10.1107/S160053681105522X","","","1.54178","CuKα","","0.0361","0.0305","","","0.0777","0.082","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233613","14.6018","0.0005","10.8574","0.0003","17.463","0.0006","90","","126.438","0.002","90","","2227.29","0.14","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C88 H80 Cl8 N24 O8 -","8","2","RK2330","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Muhammad Naeem; Khan, Misbahul Ain; Athar, Muhammad Makshoof","6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine","Acta Crystallographica Section E","2012","68","2","o438","o439","10.1107/S1600536812001535","","","0.71073","MoKα","","0.0698","0.0385","","","0.0931","0.11","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233614","8.0598","0.0019","10.873","0.003","14.541","0.003","76.01","0.004","81.019","0.004","84.447","0.004","1219","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Nitrato-κ^2^O,O')bis(tryptanthrin-κN)silver(I)","Bis(indolo[2,1-b]quinazoline-6,12-dione-κN)(nitrato- κ^2^O,O')silver(I)","","- C30 H16 Ag N5 O7 -","- C30 H16 Ag N5 O7 -","- C60 H32 Ag2 N10 O14 -","2","1","RN2096","Wu, Jie; Huang, Chao; Li, Guo-Qiang; Tian, Hai-Yan; Jiang, Ren-Wang","(Nitrato-κ^2^O,O')bis(tryptanthrin-κN)silver(I)","Acta Crystallographica Section E","2012","68","2","m185","m186","10.1107/S1600536812001821","","","0.71074","MoKα","","0.0678","0.0428","","","0.0965","0.1083","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233615","5.2182","0.0011","6.7008","0.0012","10.3167","0.0005","100.09","0.02","100.341","0.015","111.891","0.015","317.49","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Lithium europium(III) molybdate(VI)","","- Eu1.5 Li3.5 Mo4 O16 -","- Eu1.5 Li3.5 Mo4 O16 -","- Eu1.5 Li3.5 Mo4 O16 -","1","0.5","RU2018","Zhao, Dan; Zhu, Jing; Liang, Peng; Chang, Huan; He, Rong","Lithium europium(III) molybdate(VI), Li~3.5~Eu~1.5~(MoO~4~)~4~","Acta Crystallographica Section E","2012","68","2","i14","","10.1107/S1600536812000268","","","0.71073","MoKα","","0.0339","0.0286","","","0.0755","0.0787","","","","","","1.102","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233616","9.3413","0.0007","13.7402","0.0011","19.6296","0.0014","90","","90","","90","","2519.5","0.3","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4,5-Diphenyl-2-p-tolyl-1H-imidazol-1-yl)-3-phenylpropan-1-ol","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C124 H112 N8 O4 -","4","1","RZ2683","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","2-(4,5-Diphenyl-2-p-tolyl-1H-imidazol-1-yl)-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","2","o264","","10.1107/S1600536811054766","","","1.5418","CuKα","","0.042","0.0367","","","0.0934","0.0978","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233617","12.063","0.002","6.9282","0.0014","15.118","0.003","90","","91.53","0.003","90","","1263","0.4","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')cuprate(II)","","- C22 H14 Cu N8 S4 -","- C22 H14 Cu N8 S4 -","- C44 H28 Cu2 N16 S8 -","2","0.5","RZ2689","Wang, Na; Wang, Jin-Guo; Min, An-Jie; Fu, Yao-Wen","Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')cuprate(II)","Acta Crystallographica Section E","2012","68","2","m164","","10.1107/S1600536812001377","","","0.71073","MoKα","","0.0528","0.041","","","0.0986","0.101","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233618","17.7353","0.0016","15.2025","0.0014","17.3003","0.0016","90","","91.049","0.002","90","","4663.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)- 2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate","","- C19 H20 F6 N2 O8 -","- C19 H20 F6 N2 O8 -","- C152 H160 F48 N16 O64 -","8","1","RZ2690","Fun, Hoong-Kun; Arshad, Suhana; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","Diethyl 2,6-dihydroxy-4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o400","o401","10.1107/S1600536811055346","","","0.71073","MoKα","","0.0804","0.0443","","","0.1064","0.1247","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233619","12.6594","0.0003","9.6754","0.0002","13.7923","0.0004","90","","99.241","0.002","90","","1667.42","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methoxybenzamidinium 2,6-dimethoxybenzoate","[amino(4-methoxyphenyl)methylidene]azanium 2,6-dimethoxybenzoate","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C68 H80 N8 O20 -","4","1","RZ2691","Portalone, Gustavo","4-Methoxybenzamidinium 2,6-dimethoxybenzoate","Acta Crystallographica Section E","2012","68","2","o268","o269","10.1107/S160053681105519X","","","0.71069","MoKα","","0.0655","0.0598","","","0.1279","0.1308","","","","","","1.174","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233620","14.8168","0.0014","10.6687","0.0009","7.3518","0.0007","90","","90","","90","","1162.14","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","catena-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido- κ^2^N^1^:N^3^]","","- C9 H13 N3 Sn -","- C9 H13 N3 Sn -","- C36 H52 N12 Sn4 -","4","1","RZ2693","Li, Yuanyuan; Liu, Jianmin; Li, Dacheng","catena-Poly[[trimethyltin(IV)]-μ-1,2,3-benzotriazol-1-ido-κ^2^N^1^:N^3^]","Acta Crystallographica Section E","2012","68","2","m169","","10.1107/S1600536811055176","","","0.71073","MoKα","","0.0534","0.0295","","","0.0876","0.1368","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233621","7.9288","0.001","15.881","0.002","30.069","0.004","90","","90","","90","","3786.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","","- C19 H13 Fe N4 O8 -","- C19 H13 Fe N4 O8 -","- C152 H104 Fe8 N32 O64 -","8","1","RZ2696","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","Acta Crystallographica Section E","2012","68","2","m174","","10.1107/S1600536812001493","","","0.71073","MoKα","","0.0405","0.0333","","","0.0815","0.086","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233622","22.615","0.005","8.8423","0.0018","21.077","0.004","90","","113.41","0.03","90","","3867.8","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)","","- C27 H60 B2 F8 N2 O12 -","- C27 H60 B2 F8 N2 O12 -","- C108 H240 B8 F32 N8 O48 -","4","0.5","RZ2697","Zhao, Min-Min","Propane-1,3-diaminium bis(tetrafluoroborate)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2012","68","2","o444","","10.1107/S1600536812001572","","","0.71073","MoKα","","0.1235","0.0768","","","0.1894","0.2124","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233623","12.8293","0.0008","13.3467","0.0008","22.0754","0.0011","83.897","0.004","81.585","0.005","62.213","0.006","3304.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-benzyl-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-4,6- dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate","","- C37 H31 Cl N4 O4 -","- C37 H31 Cl N4 O4 -","- C148 H124 Cl4 N16 O16 -","4","2","SU2345","Kamatchi, P.; Jagadeesan, G.; Pramesh, M.; Perumal, P. T.; Aravindhan, S.","Ethyl 2-benzyl-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o552","","10.1107/S1600536812002450","","","0.71073","MoKα","","0.1283","0.0673","","","0.2008","0.2251","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233624","12.8412","0.0002","12.8412","0.0002","27.2647","0.0007","90","","90","","90","","4495.85","0.15","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]","","- C9 H7 O8.5 Zn2 -","- C9 H7 O8.5 Zn2 -","- C144 H112 O136 Zn32 -","16","1","SU2346","Ma, Chao-Hong; Liu, Qiang; Wang, Xiu-Yan; Dong, Xian-Wu; Li, Yu-Jie","Poly[[aqua-μ~6~-benzene-1,2,3-tricarboxylato-μ~3~-hydroxido-dizinc] hemihydrate]","Acta Crystallographica Section E","2012","68","2","m103","m104","10.1107/S1600536811055358","","","0.71073","MoKα","","0.0591","0.0348","","","0.0847","0.0895","","","","","","0.937","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233625","10.7108","0.0014","7.2772","0.0007","11.469","0.0014","90","","114.366","0.014","90","","814.32","0.19","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2E,6E)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","","- C22 H20 O -","- C22 H20 O -","- C44 H40 O2 -","2","1","SU2352","Abaee, M. Saeed; Massa, Werner; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","(2E,6E)-2,6-Bis(4-methylbenzylidene)cyclohex-3-en-1-one","Acta Crystallographica Section E","2012","68","2","o355","","10.1107/S1600536811055632","","","0.71073","MoKα","","0.0565","0.0353","","","0.0665","0.0707","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233626","11.2332","0.0018","13.3778","0.0018","8.977","0.0016","90","","90.408","0.002","90","","1349","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2-Chlorobenzylidene)-4-nitrobenzohydrazide","","- C14 H10 Cl N3 O3 -","- C14 H10 Cl N3 O3 -","- C56 H40 Cl4 N12 O12 -","4","1","SU2353","Tang, Chun-Bao","N'-(2-Chlorobenzylidene)-4-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","2","o335","","10.1107/S1600536811055589","","","0.71073","MoKα","","0.087","0.0509","","","0.1218","0.1458","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233627","11.6861","0.0003","11.4616","0.0003","31.3782","0.0009","90","","90","","90","","4202.8","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Dibromo-6-[(E)-({3-[(E)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","","- C19 H18 Br4 N2 O2 -","- C19 H18 Br4 N2 O2 -","- C152 H144 Br32 N16 O16 -","8","1","SU2354","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","2,4-Dibromo-6-[(E)-({3-[(E)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","Acta Crystallographica Section E","2012","68","2","o323","","10.1107/S1600536811055899","","","0.71073","MoKα","","0.1238","0.0473","","","0.1012","0.1375","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233628","11.572","0.0003","7.7803","0.0002","13.3914","0.0004","90","","95.774","0.002","90","","1199.56","0.06","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(2-hydroxybenzophenone)-1,4-butanediimine","2-{[(4-{[(2- Hydroxyphenyl)(phenyl)methylidene]amino}butyl)imino](phenyl)methyl}phenol","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C60 H56 N4 O4 -","2","0.5","SU2355","Jamshidvand, Arezoo; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz","2-{[(4-{[(2-Hydroxyphenyl)(phenyl)methylidene]amino}butyl)imino](phenyl)methyl}phenol","Acta Crystallographica Section E","2012","68","2","o292","","10.1107/S1600536811055905","","","0.71073","MoKα","","0.0907","0.0446","","","0.1052","0.1267","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233629","7.3872","0.0017","13.012","0.002","13.592","0.002","90","","90","","90","","1306.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-N'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","SU2356","Shen, Xi-Hai; Zhu, Li-Xue; Shao, Li-Juen; Zhu, Zhao-Fu","2-Hydroxy-N'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o297","","10.1107/S1600536811055930","","","0.71073","MoKα","","0.0649","0.0436","","","0.0918","0.1025","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233630","15.8761","0.0014","7.435","0.0007","20.7517","0.0013","90","","90","","90","","2449.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,4'-Dibromo-2-nitrobiphenyl","","- C12 H7 Br2 N O2 -","- C12 H7 Br2 N O2 -","- C96 H56 Br16 N8 O16 -","8","1","SU2358","Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin","4,4'-Dibromo-2-nitrobiphenyl","Acta Crystallographica Section E","2012","68","2","o319","","10.1107/S1600536812000347","","","0.71073","MoKα","","0.0947","0.0422","","","0.0797","0.0952","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233631","3.992","0.0008","7.367","0.0015","20.885","0.004","90","","94.87","0.03","90","","612","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C26 H24 N4 O8 -","2","1","SU2359","He, Xue-Jun; Song, Jun-Song; Huang, Qin-Qin; Wang, De-Cai; Ou-yang, Ping-Kai","2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzaldehyde","Acta Crystallographica Section E","2012","68","2","o423","","10.1107/S1600536812000840","","","0.71073","MoKα","","0.0596","0.0462","","","0.1208","0.1305","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233632","6.0728","0.0003","16.1595","0.0008","12.849","0.0006","90","","90.238","0.003","90","","1260.91","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","SU2360","Adabi Ardakani, Amir; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-1-(3-Ethoxy-2-hydroxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","2","o340","o341","10.1107/S1600536812000487","","","0.71073","MoKα","","0.1788","0.0564","","","0.0877","0.1188","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233633","7.4878","0.0002","9.988","0.0002","14.3754","0.0003","90","","91.846","0.001","90","","1074.55","0.04","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2-Hydroxy-5-methoxybenzylidene)thiosemicarbazide","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C36 H44 N12 O8 S4 -","4","1","SU2361","Adabi Ardakani, Amir; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-1-(2-Hydroxy-5-methoxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","2","o324","o325","10.1107/S1600536811056182","","","0.71073","MoKα","","0.0398","0.0354","","","0.1058","0.11","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233634","13.144","0.005","7.411","0.005","21.333","0.005","90","0.005","106.835","0.005","90","0.005","1989","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenethyl)-3,5-diphenyl-4H-1,2,4-triazole","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","SU2362","Anuradha, G.; Vasuki, G.; Ünlüer, Dilek; Birinci, Emrah","4-(4-Methoxyphenethyl)-3,5-diphenyl-4H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","2","o392","","10.1107/S1600536812000359","","","0.71073","MoKα","","0.0602","0.0389","","","0.1086","0.1259","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233635","9.24","0.0007","40.384","0.004","10.1643","0.0008","90","","91.988","0.009","90","","3790.5","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5- one","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","2","SU2363","Mojtahedi, Mohammad M.; Massa, Werner; Abaee, M. Saeed; Mesbah, A. Wahid","(4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one","Acta Crystallographica Section E","2012","68","2","o356","","10.1107/S1600536812000372","","","0.71073","MoKα","","0.0851","0.034","","","0.0521","0.0581","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233636","9.1131","0.0003","11.5757","0.0004","13.681","0.0004","94.032","0.002","97.762","0.002","109.19","0.003","1340.35","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-hydroxybenzoato)-κ^3^O^1^,O^1'^:O^1^; κ^3^O^1^:O^1^,O^1'^-bis[(3-hydroxybenzoato- κ^2^O,O')(isonicotinamide-κN^1^)cadmium] tetrahydrate","","- C52 H52 Cd2 N8 O20 -","- C52 H52 Cd2 N8 O20 -","- C52 H52 Cd2 N8 O20 -","1","0.5","SU2364","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(μ-3-hydroxybenzoato)-κ^3^O^1^,O^1'^:O^1^;κ^3^O^1^:O^1^,O^1'^-bis[(3-hydroxybenzoato-κ^2^O,O')(isonicotinamide-κN^1^)cadmium] tetrahydrate","Acta Crystallographica Section E","2012","68","2","m198","m199","10.1107/S160053681200219X","","","0.71073","MoKα","","0.0175","0.0169","","","0.043","0.0433","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233637","7.7661","0.0017","22.148","0.003","9.7002","0.0016","90","","100.382","0.002","90","","1641.2","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","2","SU2365","Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai","N'-(3-Ethoxy-2-hydroxybenzylidene)-2-hydroxy-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o500","","10.1107/S1600536812002127","","","0.71073","MoKα","","0.1418","0.0537","","","0.0856","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233638","10.6364","0.0011","9.5089","0.001","19.3765","0.0017","90","","112.899","0.005","90","","1805.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1H-benzimidazole- 5-carboxylate monohydrate","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","SU2368","Arumugam, Natarajan; Ngah, Nurziana; Osman, Hasnah; Abdul Rahim, Aisyah Saad","Ethyl 1-(2-hydroxyethyl)-2-(4-methoxyphenyl)-1H-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","2","o421","","10.1107/S1600536812001262","","","0.71073","MoKα","","0.0354","0.0321","","","0.0828","0.086","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233639","31.154","0.003","15.3768","0.0013","18.006","0.0016","90","","100.253","0.002","90","","8488","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}- 1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4- methylphenolato-1:2κ^2^O}bis[(nitrato-\ κ^2^O,O')zinc]‒acetonitrile‒water (2/4/1)","","- C88 H83 N22 O12.5 Zn2 -","- C88 H83 N22 O12.5 Zn2 -","- C352 H332 N88 O50 Zn8 -","4","0.5","TK5033","Maheswari, Palanisami Uma; Teat, Simon J.; Roubeau, Olivier; Reedijk, Jan","Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methylphenolato-1:2κ^2^O:O}bis[(nitrato-κ^2^O,O')zinc]‒acetonitrile‒water (2/4/1)","Acta Crystallographica Section E","2012","68","2","m194","m195","10.1107/S1600536811053451","","","0.6894","Synchrotron","","0.0496","0.0387","","","0.1023","0.108","","","","","","1.057","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2233640","6.608","0.004","7.963","0.007","12.369","0.006","87.451","0.013","80.725","0.017","77.324","0.018","626.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl N-[(benzyloxy)thiocarbonyl]carbamate","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C22 H26 N2 O6 S2 -","2","1","TK5038","Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong","Ethyl N-[(benzyloxy)thiocarbonyl]carbamate","Acta Crystallographica Section E","2012","68","2","o300","","10.1107/S1600536811055942","","","0.71073","MoKα","","0.0507","0.0364","","","","0.106","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233641","16.43","0.003","7.005","0.0011","16.118","0.002","90","","119.532","0.003","90","","1614","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Dichloridobis(quinoline-κN)palladium(II)","","- C18 H14 Cl2 N2 Pd -","- C18 H14 Cl2 N2 Pd -","- C72 H56 Cl8 N8 Pd4 -","4","0.5","TK5039","Ha, Kwang","trans-Dichloridobis(quinoline-κN)palladium(II)","Acta Crystallographica Section E","2012","68","2","m143","","10.1107/S1600536811055954","","","0.71073","MoKα","","0.0644","0.0395","","","0.0838","0.0949","","","","","","1.052","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233642","8.4452","0.001","8.0716","0.001","10.989","0.0013","90","","109.186","0.002","90","","707.47","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","bis(naphthalene)molybdenum","Bis(η^6^-naphthalene)molybdenum(0)","","- C20 H16 Mo -","- C20 H16 Mo -","- C40 H32 Mo2 -","2","0.5","TK5041","Minyaev, Mikhail E.; Ellis, John E.; Wolf, William J.","Bis(η^6^-naphthalene)molybdenum(0)","Acta Crystallographica Section E","2012","68","2","m220","","10.1107/S1600536812002504","","","0.71073","MoKα","","0.0383","0.0283","","","0.0644","0.0688","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233643","6.6133","0.0009","7.4894","0.0011","13.3213","0.0016","83.247","0.008","86.097","0.007","71.363","0.008","620.54","0.15","92","2","92","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dihydrocyclopenta[b]thiophen-6-one","","- C7 H6 O S -","- C7 H6 O S -","- C28 H24 O4 S4 -","4","2","TK5042","Hanton, Lyall R.; Moratti, Stephen C.; Shi, Zheng; Simpson, Jim","4,5-Dihydrocyclopenta[b]thiophen-6-one","Acta Crystallographica Section E","2012","68","2","o371","o372","10.1107/S1600536811056042","","","0.71073","MoKα","","0.0486","0.04","","","0.1082","0.1187","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233644","12.0497","0.0014","20.842","0.002","9.9482","0.001","90","","98.743","0.01","90","","2469.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate","","- C29 H22 Br2 O3 -","- C29 H22 Br2 O3 -","- C116 H88 Br8 O12 -","4","1","TK5043","Jasinski, Jerry P.; Golen, James A.; Siddaraju, B. P.; Narayana, B.; Yathirajan, H. S.","1,3-Bis(biphenyl-4-yl)-2,2-dibromo-3-oxopropyl acetate","Acta Crystallographica Section E","2012","68","2","o362","o363","10.1107/S1600536811056169","","","0.71073","MoKα","","0.099","0.0516","","","0.1092","0.1304","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233645","21.0129","0.001","11.6013","0.0005","16.6025","0.0008","90","","90","","90","","4047.3","0.3","296","2","296","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","Bis(2-amino-1,3-benzothiazole-κN^3^)dichloridozinc(II) ethanol hemisolvate","","- C15 H15 Cl2 N4 O0.5 S2 Zn -","- C14 H12 Cl2 N4 S2 Zn -","- C112 H96 Cl16 N32 S16 Zn8 -","8","1","TK5044","Kim, Young-Inn; Kang, Sung Kwon","Bis(2-amino-1,3-benzothiazole-κN^3^)dichloridozinc(II) ethanol hemisolvate","Acta Crystallographica Section E","2012","68","2","m178","m179","10.1107/S1600536812001560","","","0.71073","MoKα","","0.0999","0.0459","","","","0.1359","","","","","","0.883","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233646","9.0465","0.0004","11.4348","0.0005","14.4143","0.0007","74.013","0.001","82.935","0.001","70.817","0.001","1352.96","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate","","- C28 H33 Br2 N4 O0.5 -","- C28 H33 Br2 N4 O0.5 -","- C56 H66 Br4 N8 O -","2","1","TK5046","Iqbal, Muhammad Adnan; Haque, Rosenani A.; Fun, Hoong-Kun; Chia, Tze Shyang","3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate","Acta Crystallographica Section E","2012","68","2","o466","o467","10.1107/S1600536812001596","","","0.71073","MoKα","","0.0765","0.0409","","","0.1154","0.1327","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233647","14.0865","0.0016","12.1439","0.0014","8.2723","0.0009","90","","114.447","0.002","90","","1288.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(pyridine-2-carboxaldehyde oximato-κ^2^N,N')(pyridine-2-carboxaldehyde oxime-κ^2^N,N')palladium(II) chloride","","- C12 H11 Cl N4 O2 Pd -","- C12 H11 Cl N4 O2 Pd -","- C48 H44 Cl4 N16 O8 Pd4 -","4","0.5","TK5047","Ha, Kwang","A second monoclinic polymorph of (pyridine-2-carboxaldehyde oximato-κ^2^N,N')(pyridine-2-carboxaldehyde oxime-κ^2^N,N')palladium(II) chloride","Acta Crystallographica Section E","2012","68","2","m176","m177","10.1107/S1600536812001559","","","0.71073","MoKα","","0.0346","0.03","","","0.0721","0.0747","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233648","15.584","0.008","4.763","0.003","18.139","0.01","90","","96.984","0.011","90","","1336.4","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide","","- C14 H11 Br Cl N O -","- C14 H11 Br Cl N O -","- C56 H44 Br4 Cl4 N4 O4 -","4","1","TK5050","Fun, Hoong-Kun; Shahani, Tara; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","2","o519","","10.1107/S1600536812002383","","","0.71073","MoKα","","0.1265","0.0592","","","0.131","0.1663","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233649","12.1307","0.0009","12.1554","0.0009","13.8209","0.001","90","","102.466","0.001","90","","1989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaquatetrakis(μ~2~-benzene-1,4-dicarbonitrile- κ^2^N:N')iron(II)] bis[tetrachloroferrate(III)] nitromethane tetrasolvate]","","- C20 H24 Cl8 Fe3 N8 O10 -","- C20 H24 Cl8 Fe3 N8 O10 -","- C40 H48 Cl16 Fe6 N16 O20 -","2","0.5","TK5052","Prommon, Pimonrat; Promseenong, Pinyada; Chainok, Kittipong","Poly[[diaquatetrakis(μ~2~-benzene-1,4-dicarbonitrile-κ^2^N:N')iron(II)] bis[tetrachloridoferrate(III)] nitromethane tetrasolvate]","Acta Crystallographica Section E","2012","68","2","m211","m212","10.1107/S1600536812002486","","","0.71073","MoKα","","0.0444","0.0315","","","0.0772","0.0727","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233650","10.8382","0.0009","17.3428","0.0016","17.7939","0.0017","90","","100.781","0.001","90","","3285.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'- methylenebis(naphthalene-3-carboxylato)]zinc]","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","VM2140","Peng, Yanqiang; Wei, Xilian; Li, Dacheng; Wang, Suna","Poly[[μ~2~-1,3-bis(imidazol-1-ylmethyl)benzene][μ~2~-2,2'-dihydroxy-1,1'-methylenebis(naphthalene-3-carboxylato)]zinc]","Acta Crystallographica Section E","2012","68","2","m125","m126","10.1107/S1600536811054584","","","0.71073","MoKα","","0.1445","0.0618","","","0.1096","0.1272","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233651","12.2998","0.001","26.232","0.002","16.1097","0.0013","90","","109.324","0.002","90","","4904.9","0.7","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-Methylcalix[4]resorcinarene‒1,4-bis(pyridin-3-yl)-2,3-diaza- 1,3-butadiene (1/2)","2,9,15,22-tetramethylpentacyclo[21.3.1.1^10,14^.0^3,8^.0^16,21^]octacosa- 1(27),3(8),4,6,10(28),11,13,16,18,20,23,25-dodecaen- 5,6,11,13,18,19,24,26-octol‒1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)","","- C56 H52 N8 O8 -","- C56 H52 N8 O8 -","- C224 H208 N32 O32 -","4","1","VM2143","Udachin, Konstantin A.; Zaman, Md. Badruz; Ripmeester, John A.","C-Methylcalix[4]resorcinarene‒1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)","Acta Crystallographica Section E","2012","68","2","o261","o262","10.1107/S1600536811054717","","","0.7107","MoKα","","0.0935","0.0504","","","0.1157","0.1308","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233652","7.0967","0.0013","6.2911","0.0008","8.429","0.0013","90","","100.606","0.014","90","","369.89","0.1","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Hydrogen 4-ammoniophenylphosphonate","","- C6 H8 N O3 P -","- C6 H8 N O3 P -","- C12 H16 N2 O6 P2 -","2","1","VM2144","Thiele, Kerstin; Wagner, Christoph; Merzweiler, Kurt","Hydrogen 4-ammoniophenylphosphonate","Acta Crystallographica Section E","2012","68","2","o263","","10.1107/S1600536811055218","","","0.71073","MoKα","","0.0331","0.0287","","","0.0613","0.0626","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233653","8.958","0.002","9.886","0.002","10.616","0.002","84.076","0.004","76.276","0.004","66.746","0.003","839.1","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","Evodiamide","N-[2-(1H-Indol-3-yl)ethyl]-N-methyl- 2-(methylamino)benzamide","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C38 H42 N6 O2 -","2","1","VM2145","Cai, Fang; Wu, Jie; Tian, Hai-Yan; Yuan, Xiao-Feng; Jiang, Ren-Wang","Evodiamide","Acta Crystallographica Section E","2012","68","2","o305","","10.1107/S1600536811055553","","","0.71073","MoKα","","0.0879","0.0492","","","0.1253","0.1461","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233654","7.2551","0.0006","7.8351","0.0007","12.8049","0.0011","92.367","0.007","102.946","0.008","109.011","0.008","665.51","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2E)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H10 Cl2 O2 -","- C15 H10 Cl2 O2 -","- C30 H20 Cl4 O4 -","2","1","VM2148","Jasinski, Jerry P.; Golen, James A.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.","(2E)-1-(3,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o366","","10.1107/S1600536812000505","","","0.71073","MoKα","","0.0587","0.0414","","","0.103","0.1146","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233655","7.2827","0.001","8.8573","0.0012","11.1806","0.0016","77.948","0.002","73.135","0.002","69.97","0.002","643.62","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","VM2149","Lu, Gui-Fen; Zhu, Min; Zhu, Wei-Hua; Ou, Zhong-Ping","2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o483","","10.1107/S1600536812001729","","","0.71073","MoKα","","0.0745","0.0665","","","0.2093","0.2196","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233656","10.568","0.01","12.574","0.011","9.373","0.008","90","","114.483","0.014","90","","1133.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido- κN^1^]zinc","","- C22 H18 N12 O2 Zn -","- C22 H18 N12 O2 Zn -","- C44 H36 N24 O4 Zn2 -","2","0.5","VM2152","Li, Bo; Liu, Peng-Wen; Chen, Jing","Diaquabis[5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-κN^1^]zinc","Acta Crystallographica Section E","2012","68","2","m203","","10.1107/S1600536812002061","","","0.71073","MoKα","","0.0636","0.0351","","","0.0754","0.0997","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233657","8.4367","0.001","22.921","0.002","11.4952","0.0011","90","","116.532","0.007","90","","1988.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κ^2^O,O')(2,2':6',2''- terpyridine-κ^3^N,N',N'')manganese(II) dihydrate","","- C19 H21 Mn N3 O6 -","- C19 H21 Mn N3 O6 -","- C76 H84 Mn4 N12 O24 -","4","1","VN2028","Ha, Kwang","Bis(acetato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N,N',N'')manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","2","m124","","10.1107/S1600536811055802","","","0.71073","MoKα","","0.1308","0.0545","","","0.1119","0.1462","","","","","","0.926","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233658","28.5458","0.0019","8.2274","0.0005","15.381","0.001","90","","112.708","0.001","90","","3332.3","0.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~2~-quinoline-3-carboxylato-κ^2^N:O)(μ~2~-quinoline- 3-carboxylato-κ^3^N:O,O')cadmium]","","- C20 H12 Cd N2 O4 -","- C20 H12 Cd N2 O4 -","- C160 H96 Cd8 N16 O32 -","8","1","VN2029","Wang, Xing; Yan, Yong-Sheng; Sun, He-Yi; Wang, Shen-Tang; Liu, Chun-Bo","Poly[(μ~2~-quinoline-3-carboxylato-κ^2^N:O)(μ~2~-quinoline-3-carboxylato-κ^3^N:O,O')cadmium]","Acta Crystallographica Section E","2012","68","2","m163","","10.1107/S1600536812001031","","","0.71073","MoKα","","0.0223","0.0185","","","0.0497","0.0509","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233659","4.8974","0.0009","4.8974","0.0009","11.649","0.002","90","","90","","90","","279.4","0.09","150","2","150","2","","","","","","","","2","I 4/m m m","-I 4 2","139","mercurous iodide","mercury(I) iodide","","- Hg2 I2 -","- Hg2 I2 -","- Hg4 I4 -","2","0.0625","WM2566","Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Carlos, Otero-Diáz L.","Redetermination of Hg~2~I~2~","Acta Crystallographica, Section E: Structure Reports Online","2012","68","2","i11","i11","10.1107/S1600536811056339","","","0.71073","MoKα","","0.0791","0.0392","","","0.0405","0.0437","","","","","","1.47","","","","has coordinates,has Fobs","264420","2021-04-22","15:09:03",""
"2233660","20.4396","0.0008","12.8695","0.0008","7.9798","0.0004","90","","90.765","0.003","90","","2098.88","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaqua(2,2'-bipyridine-κ^2^N,N')zinc]- μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^O:O']","","- C20 H20 N2 O6 S2 Zn -","- C20 H20 N2 O6 S2 Zn -","- C80 H80 N8 O24 S8 Zn4 -","4","0.5","WM2568","Lin, Hong; Wang, Xiao-Juan","catena-Poly[[diaqua(2,2'-bipyridine-κ^2^N,N')zinc]-μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^O:O']","Acta Crystallographica Section E","2012","68","2","m105","","10.1107/S1600536811055310","","","0.71073","MoKα","","","0.0246","","","0.0675","0.0698","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233661","7.8998","0.0004","9.8238","0.0005","11.3815","0.0008","68.677","0.006","70.141","0.006","89.655","0.005","766.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[aqua(1,10-phenanthroline- κ^2^N,N')nickel(II)]-μ-fumarato-κ^2^O:O'- [aqua(1,10-phenanthroline-κ^2^N,N')nickel(II)]-μ-fumarato- κ^4^O,O':O'',O''']","","- C16 H12 N2 Ni O5 -","- C16 H12 N2 Ni O5 -","- C32 H24 N4 Ni2 O10 -","2","1","WM2574","Uhrinová, Anna; Kuchár, Juraj; Černák, Juraj","The chain structure of [Ni(C~4~H~2~O~4~)(C~12~H~8~N~2~)(H~2~O)]~n~ with different types of fumarate bridging","Acta Crystallographica Section E","2012","68","2","m92","m93","10.1107/S1600536811054614","","","0.71073","MoKα","","0.0236","0.0216","","","0.0563","0.0574","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233662","10.4785","0.0001","12.9336","0.0002","4.7308","0.0001","90","","105.054","0.001","90","","619.137","0.018","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Kovdorskite","dimagnesium phosphate hydroxide trihydrate","","- H7 Mg2 O8 P -","- H7 Mg2 O8 P -","- H28 Mg8 O32 P4 -","4","1","WM2577","Morrison, Shaunna M.; Downs, Robert T.; Yang, Hexiong","Redetermination of kovdorskite, Mg~2~PO~4~(OH)·3H~2~O","Acta Crystallographica Section E","2012","68","2","i12","i13","10.1107/S1600536812000256","","","0.71073","MoKα","","0.0266","0.0222","","","0.0544","0.0564","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233663","7.7005","0.0015","8.6131","0.0017","17.46","0.003","75.98","0.03","82.55","0.03","70.6","0.03","1058.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis{1-[(1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazole- κN^4^}bis(2,4,5-tricarboxybenzoato-κO^1^)cadmium dihydrate","","- C40 H36 Cd N10 O20 -","- C40 H36 Cd N10 O20 -","- C40 H36 Cd N10 O20 -","1","0.5","WM2579","Zhao, Lei; Liu, Bingtao; Jin, Guanghua; Meng, Xiangru","Diaquabis{1-[(1H-benzimidazol-2-yl)methyl]-1H-1,2,4-triazole-κN^4^}bis(2,4,5-tricarboxybenzoato-κO^1^)cadmium dihydrate","Acta Crystallographica Section E","2012","68","2","m139","m140","10.1107/S1600536812000384","","","0.71073","MoKα","","0.0345","0.0326","","","0.0822","0.0836","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233664","10.3794","0.001","18.983","0.003","10.5021","0.0012","90","","90","","90","","2069.3","0.5","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","catena-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^4^O^2^,O^3^,O^7^:O^2'^]","","- C8 H12 Co O7 -","- C8 H12 Co O7 -","- C64 H96 Co8 O56 -","8","1","WM2580","Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du","catena-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^O^2^,O^3^,O^7^:O^2'^]","Acta Crystallographica Section E","2012","68","2","m146","","10.1107/S1600536812000554","","","0.71073","MoKα","","","0.029","","","0.0873","0.0875","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233665","20.544","0.0012","7.5708","0.0003","13.4274","0.0007","90","","95.176","0.005","90","","2079.91","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(methanol-κO)bis(thiocyanato- κN)cobalt(II)]-μ-1,3-bis(pyridin-4-yl)propane- κ^2^N,N']","","- C17 H22 Co N4 O2 S2 -","- C17 H22 Co N4 O2 S2 -","- C68 H88 Co4 N16 O8 S8 -","4","0.5","WM2581","Wöhlert, Susanne; Näther, Christian","catena-Poly[[bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^N,N']","Acta Crystallographica Section E","2012","68","2","m138","","10.1107/S1600536812000499","","","0.71073","MoKα","","0.0437","0.0345","","","0.0771","0.0807","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233666","10.89","0.002","10.0494","0.0017","16.689","0.003","90","","96.68","0.02","90","","1814","0.6","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N-Bis(2-aminoethyl)ethane-1,2-diamine](ethane-1,2- diamine)nickel(II) thiosulfate trihydrate","","- C8 H32 N6 Ni O6 S2 -","- C8 H32 N6 Ni O6 S2 -","- C32 H128 N24 Ni4 O24 S8 -","4","1","WM2582","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","[N,N-Bis(2-aminoethyl)ethane-1,2-diamine](ethane-1,2-diamine)nickel(II) thiosulfate trihydrate","Acta Crystallographica Section E","2012","68","2","m167","m168","10.1107/S1600536812001651","","","0.71073","MoKα","","0.0401","0.0366","","","0.0967","0.0991","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233667","7.0724","0.0003","18.3069","0.0007","19.1309","0.0007","90","","90","","90","","2476.95","0.17","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κN)(1,10-phenanthroline-κ^2^N,N')palladium(II)","","- C12 H8 N8 Pd -","- C12 H8 N8 Pd -","- C96 H64 N64 Pd8 -","8","1","WM2583","Ha, Kwang","Bis(azido-κN)(1,10-phenanthroline-κ^2^N,N')palladium(II)","Acta Crystallographica Section E","2012","68","2","m145","","10.1107/S1600536812001201","","","0.71073","MoKα","","0.0559","0.0326","","","0.0659","0.0839","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233668","15.284","0.0009","9.269","0.002","12.165","0.0011","90","0.001","98.279","0.009","90","0.003","1705.4","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1-)","","- C12 H23 N2 O5 P S -","- C12 H23 N2 O5 P S -","- C48 H92 N8 O20 P4 S4 -","4","1","WN2457","Trush, Elizaveta A.; Shishkin, Oleg V.; Trush, Victor A.; Konovalova, Irina S.; Sliva, Tetyana Yu.","Tetramethylammonium dimethyl (phenylsulfonylamido)phosphate(1{-})","Acta Crystallographica Section E","2012","68","2","o273","","10.1107/S1600536811055024","","","0.71073","MoKα","","0.0647","0.0324","","","0.0582","0.0627","","","","","","0.774","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233669","12.7346","0.0002","13.118","0.0002","15.7404","0.0002","71.766","0.001","89.813","0.001","76.15","0.001","2417.5","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","2","WN2463","Fun, Hoong-Kun; Hemamalini, Madhukar; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o287","o288","10.1107/S1600536811055334","","","0.71073","MoKα","","0.0688","0.0468","","","0.1121","0.1246","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233670","12.2311","0.0003","10.3115","0.0002","11.2468","0.0003","90","","108.935","0.001","90","","1341.7","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","","- C15 H8 Cl2 F2 O -","- C15 H8 Cl2 F2 O -","- C60 H32 Cl8 F8 O4 -","4","1","WN2465","Betz, Richard; Gerber, Thomas; Hosten, Eric; Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o512","","10.1107/S1600536812002589","","","0.71073","MoKα","","0.0444","0.035","","","0.0843","0.0915","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233671","7.2292","0.0002","9.1589","0.0003","11.8243","0.0005","79.332","0.001","82.609","0.001","80.429","0.002","754.79","0.05","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4- carboxylate","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C32 H34 N6 O8 -","2","1","WN2466","Bibila Mayaya Bisseyou, Yvon; Timotou, Adéyolé; Adjou, Ajouby; Kakou-Yao, Rita; Tenon Abodou, Jules","Ethyl 4-cyano-7-nitro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylate","Acta Crystallographica Section E","2012","68","2","o550","o551","10.1107/S1600536812003480","","","0.71073","MoKα","","0.1262","0.083","","","0.1995","0.2473","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233672","8.9223","0.0018","19.684","0.004","10.151","0.002","90","","90","","90","","1782.8","0.6","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","","- C12 H16 Cl N2 Nd O8 -","- C12 H16 Cl N2 Nd O8 -","- C48 H64 Cl4 N8 Nd4 O32 -","4","0.5","XU5361","Xue, Jun-Hui; Hua, Xiao-Hui; Li, Chun-Ping; Xu, Yi-Zhuang; Wu, Jin-Guang","catena-Poly[[[tetraaquaneodymium(III)]-di-μ-isonicotinato] chloride]","Acta Crystallographica Section E","2012","68","2","m170","m171","10.1107/S1600536811055619","","","0.71073","MoKα","","0.0795","0.063","","","0.1597","0.1902","","","","","","1.331","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233673","9.2079","0.0009","8.5034","0.0005","14.3199","0.0012","90","","100.804","0.009","90","","1101.35","0.16","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl butyrate","(2S,3R,4S,5S,6R)-3,4,5-triacetoxy- 6-(acetoxymethyl)oxinan-2-yl butyrate","","- C18 H26 O11 -","- C18 H26 O11 -","- C36 H52 O22 -","2","1","XU5405","Cui, Yan-Li; Xu, Ming-Han; Mao, Jian-Wei; Yu, Yong-Ping","2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl butyrate","Acta Crystallographica Section E","2012","68","2","o320","","10.1107/S1600536811055814","","","0.71073","MoKα","","0.0719","0.0484","","","0.1297","0.1467","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233674","11.7896","0.0013","5.2309","0.0008","19.74","0.003","90","","91.63","0.011","90","","1216.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Fluorophenyl)-2H-chromen-4(3H)-one","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","XU5408","Wera, Michał; Chalyi, Andriy G.; Roshal, Alexander D.; Błażejowski, Jerzy","2-(4-Fluorophenyl)-2H-chromen-4(3H)-one","Acta Crystallographica Section E","2012","68","2","o253","o254","10.1107/S160053681105464X","","","0.71073","MoKα","","0.128","0.0556","","","0.1197","0.1601","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233675","12.0342","0.0003","17.4069","0.0004","9.4392","0.0002","90","","91.757","0.002","90","","1976.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","XU5410","Fan, Cong-Bin; Wang, Xiao-Mei","(E)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o417","","10.1107/S1600536811055036","","","0.71073","MoKα","","0.0945","0.0547","","","0.1357","0.1672","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233676","7.7511","0.0003","10.0726","0.0004","24.6063","0.0009","90","","90","","90","","1921.11","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[2-(N-Cyclohexylcarbamoyl)propan-2-yl]-N-(2- iodophenyl)prop-2-ynamide","","- C19 H23 I N2 O2 -","- C19 H23 I N2 O2 -","- C76 H92 I4 N8 O8 -","4","1","XU5415","Balalaie, Saeed; Haghighatnia, Yaghoub; Rominger, Frank; Amani, Vahid","N-[2-(N-Cyclohexylcarbamoyl)propan-2-yl]-N-(2-iodophenyl)prop-2-ynamide","Acta Crystallographica Section E","2012","68","2","o272","","10.1107/S1600536811055140","","","0.71073","MoKα","","0.0309","0.0267","","","0.057","0.06","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233677","6.5032","0.0003","7.7516","0.0004","11.5224","0.0005","95.184","0.004","103.344","0.004","94.285","0.004","560.11","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","N'-[(1E)-(2,6-Difluorophenyl)methylidene]thiophene- 2-carbohydrazide","","- C12 H8 F2 N2 O S -","- C12.0009 H8 F2 N2 O S -","- C24.0018 H16 F4 N4 O2 S2 -","2","1","XU5416","Alanazi, Amer M.; Kadi, Adnan A.; El-Emam, Ali A.; Ng, Seik Weng","N'-[(1E)-(2,6-Difluorophenyl)methylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o315","","10.1107/S160053681105611X","","","0.71073","MoKα","","0.0485","0.0384","","","0.0998","0.1077","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233678","13.3076","0.0011","5.6015","0.0004","15.3062","0.0012","90","","104.166","0.009","90","","1106.27","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-[(1E)-(4-Fluorophenyl)methylidene]thiophene-2-carbohydrazide","","- C12 H9 F N2 O S -","- C12.0024 H9 F N2 O S -","- C48.0096 H36 F4 N8 O4 S4 -","4","1","XU5417","Alanazi, Amer M.; Lahsasni, Siham; El-Emam, Ali A.; Ng, Seik Weng","N'-[(1E)-(4-Fluorophenyl)methylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","2","o314","","10.1107/S1600536811056121","","","0.71073","MoKα","","0.0661","0.0429","","","0.0917","0.1075","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233679","12.0469","0.0006","20.9213","0.001","10.3249","0.0005","90","","109.851","0.006","90","","2447.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H- 1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate","","- C26 H35 N5 O2 S -","- C26 H35 N5 O2 S -","- C104 H140 N20 O8 S4 -","4","1","XU5418","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali A.; Ng, Seik Weng","Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate","Acta Crystallographica Section E","2012","68","2","o531","","10.1107/S1600536811055668","","","0.71073","MoKα","","0.0782","0.0614","","","0.1455","0.1561","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233680","10.1677","0.0006","11.3287","0.0007","12.5331","0.0007","67.037","0.006","85.768","0.005","83.547","0.005","1320.12","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-phenyl- 1H-1,2,4-triazole-5(4H)-thione","","- C30 H37 N5 S -","- C30 H37 N5 S -","- C60 H74 N10 S2 -","2","1","XU5419","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali; Ng, Seik Weng","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","2","o344","","10.1107/S160053681105570X","","","0.71073","MoKα","","0.1045","0.0635","","","0.1267","0.1505","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233681","11.3342","0.0005","8.4744","0.0003","13.7868","0.0006","90","","103.864","0.004","90","","1285.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]- 1H-1,2,4-triazole-5(4H)-thione","","- C29 H35 N5 S -","- C29 H35 N5 S -","- C58 H70 N10 S2 -","2","1","XU5420","Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; El-Emam, Ali; Ng, Seik Weng","3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","2","o345","","10.1107/S1600536811055711","","","0.71073","MoKα","","0.0659","0.0597","","","0.1485","0.1535","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233682","20.4078","0.0019","4.4343","0.0003","22.6285","0.0017","90","","111.813","0.01","90","","1901.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","","- C8 H13 N3 O3 -","- C8 H13 N3 O3 -","- C64 H104 N24 O24 -","8","1","XU5421","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","Acta Crystallographica Section E","2012","68","2","o346","","10.1107/S1600536811055747","","","0.71073","MoKα","","0.0561","0.0417","","","0.0961","0.1074","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233683","4.6162","0.0005","11.7896","0.0014","12.5769","0.001","81.588","0.008","85.836","0.007","87.245","0.009","674.84","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4- triazine-3,5-dione","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C28 H30 N6 O6 -","2","1","XU5422","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng","2-{[(2-Methylprop-2-en-1-yl)oxy]methyl}-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione","Acta Crystallographica Section E","2012","68","2","o347","","10.1107/S160053681105567X","","","0.71073","MoKα","","0.1256","0.0805","","","0.2026","0.2498","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233684","15.608","0.0013","8.133","0.0006","27.496","0.002","90","","93.397","0.007","90","","3484.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4- tetrahydropyrimidine-2,4-dione","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C152 H192 N16 O24 -","8","1","XU5423","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione","Acta Crystallographica Section E","2012","68","2","o348","","10.1107/S1600536811055681","","","0.71073","MoKα","","0.1095","0.0606","","","0.1211","0.1545","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233685","14.0251","0.0005","9.4285","0.0003","30.8606","0.0012","90","","91.58","0.003","90","","4079.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4- tetrahydropyrimidine-2,4-dione ethanol hemisolvate","","- C21 H29 N2 O5.5 -","- C21 H29 N2 O5.5 -","- C168 H232 N16 O44 -","8","2","XU5424","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ethanol hemisolvate","Acta Crystallographica Section E","2012","68","2","o349","o350","10.1107/S1600536811055693","","","0.71073","MoKα","","0.0892","0.0563","","","0.1416","0.1656","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233686","4.8276","0.0004","14.9398","0.001","15.4574","0.0012","76.949","0.006","89.296","0.006","88.267","0.006","1085.53","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-(3,5-Dimethylbenzyyl)-5-ethyl-1-[(3-phenylpropoxy)methyl]-1,2,3,4- tetrahydropyrimidine-2,4-dione","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C50 H60 N4 O6 -","2","1","XU5425","El-Brollosy, Nasser R.; El-Emam, Ali A.; Al-Deeb, Omar A.; Ng, Seik Weng","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(3-phenylpropoxy)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione","Acta Crystallographica Section E","2012","68","2","o316","","10.1107/S1600536811055723","","","0.71073","MoKα","","0.0783","0.0564","","","0.1463","0.1665","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233687","8.7791","0.0006","14.1747","0.0011","20.1577","0.0014","90","","90","","90","","2508.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[4-(Propylsulfamoyl)phenyl]acetamide","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C88 H128 N16 O24 S8 -","8","1","XU5426","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Khan, Islam Ullah; Akkurt, Mehmet","N-[4-(Propylsulfamoyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","2","o290","o291","10.1107/S1600536811055528","","","0.71073","MoKα","","0.1359","0.0572","","","0.1355","0.1728","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233688","30.5551","0.0008","5.3132","0.0001","17.8757","0.0005","90","","98.267","0.002","90","","2871.88","0.12","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2H- furo[2,3-d][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1H- 1,3-benzodiazol-2-one","","- C27 H38 N2 O11 -","- C27 H38 N2 O11 -","- C108 H152 N8 O44 -","4","1","XU5430","Lakhrissi, Brahim; Massoui, Mohamed; Ramli, Youssef; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis[2-hydroxy-2-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2012","68","2","o351","","10.1107/S160053681105625X","","","0.71073","MoKα","","0.0658","0.0436","","","0.1168","0.1335","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233689","7.7429","0.0004","8.7029","0.0004","19.0069","0.0009","85.695","0.001","83.218","0.001","64.882","0.001","1151.12","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylpyridine-3-carboxamide-κN^1^)bis{4- [2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κO}copper(II)","","- C44 H54 Cu N8 O12 -","- C44 H54 Cu N8 O12 -","- C44 H54 Cu N8 O12 -","1","0.5","XU5431","Alieva, Rafiqa A.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng","Diaquabis(N,N-diethylpyridine-3-carboxamide-κN^1^)bis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κO}copper(II)","Acta Crystallographica Section E","2012","68","2","m127","","10.1107/S1600536811056200","","","0.71073","MoKα","","0.0575","0.0463","","","0.1262","0.1338","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233690","17.0586","0.0008","8.5289","0.0004","24.8249","0.0012","90","","101.431","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin- 1-yl]benzoato-κO}copper(II)]-μ-N,N-diethylpyridine- 3-carboxamide-κ^2^N^1^:O]","","- C34 H38 Cu N6 O10 -","- C34 H38 Cu N6 O10 -","- C136 H152 Cu4 N24 O40 -","4","1","XU5432","Maharramov, Abel M.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng","catena-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κO}copper(II)]-μ-N,N-diethylpyridine-3-carboxamide-κ^2^N^1^:O]","Acta Crystallographica Section E","2012","68","2","m128","","10.1107/S1600536812000025","","","0.71073","MoKα","","0.079","0.0454","","","0.1142","0.1313","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233691","22.984","0.005","9.0055","0.0018","21.62","0.004","90","","113.59","0.03","90","","4101","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Propane-1,3-diaminium bis(perchlorate)‒18-crown-6 (1/2)","","- C27 H60 Cl2 N2 O20 -","- C27 H60 Cl2 N2 O20 -","- C108 H240 Cl8 N8 O80 -","4","0.5","XU5433","Zhao, Min-Min","Propane-1,3-diaminium bis(perchlorate)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2012","68","2","o327","","10.1107/S1600536811056248","","","0.71073","MoKα","","0.1432","0.0846","","","0.2159","0.2478","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233692","19.5624","0.0008","8.3501","0.0004","17.5346","0.0007","90","","90","","90","","2864.2","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","","- C15 H17 Br O2 S -","- C15 H17 Br O2 S -","- C120 H136 Br8 O16 S8 -","8","1","XU5434","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-cyclopentylsulfinyl-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o373","","10.1107/S1600536811056091","","","0.71073","MoKα","","0.0863","0.0426","","","0.0811","0.0942","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233693","9.4546","0.0019","12.532","0.003","15.394","0.003","104.28","0.03","103.2","0.03","94.54","0.03","1703.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[N-(2-hydroxybenzyl)adamantan-1-aminium] fluoride tetrafluoroborate monohydrate","","- C34 H50 B F5 N2 O3 -","- C34 H50 B F5 N2 O3 -","- C68 H100 B2 F10 N4 O6 -","2","1","XU5436","Wang, Ying-Chun","Bis[N-(2-hydroxybenzyl)adamantan-1-aminium] fluoride tetrafluoroborate monohydrate","Acta Crystallographica Section E","2012","68","2","o389","","10.1107/S1600536812000694","","","0.71073","MoKα","","0.1495","0.0738","","","0.1882","0.2209","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233694","16.4338","0.0003","21.2112","0.0004","14.0347","0.0003","90","","113.325","0.002","90","","4492.4","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridomethylphenyltin(IV)‒ 1,4,7,10,13-pentaoxacyclopentadecane (1/1)","","- C17 H32 Cl2 O7 Sn -","- C17 H32 Cl2 O7 Sn -","- C136 H256 Cl16 O56 Sn8 -","8","2","XU5443","Vafaee, Marzieh; Amini, Mostafa M.; Ng, Seik Weng","Diaquadichloridomethylphenyltin(IV)‒1,4,7,10,13-pentaoxacyclopentadecane (1/1)","Acta Crystallographica Section E","2012","68","2","m213","","10.1107/S1600536812002693","","","0.71073","MoKα","","0.0354","0.0281","","","0.0713","0.0777","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233695","9.3218","0.0006","9.432","0.0005","14.1544","0.0008","100.475","0.005","104.453","0.005","90.238","0.005","1183.43","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,3-Diethoxy-5-fluoro-2,3-dihydro-1H-indol-2-one","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","2","XU5445","Bari, Ahmed; Al-Obaid, Abdulrahman M.; Saeed, Ali Syed; Ng, Seik Weng","3,3-Diethoxy-5-fluoro-2,3-dihydro-1H-indol-2-one","Acta Crystallographica Section E","2012","68","2","o487","","10.1107/S1600536812001857","","","1.54184","CuKα","","0.0429","0.0374","","","0.0947","0.1001","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233696","12.09","0.0004","20.8119","0.001","6.4865","0.0002","90","","90","","90","","1632.11","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","XU5447","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,4,6,7-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o481","","10.1107/S1600536812001973","","","0.71073","MoKα","","0.0484","0.0336","","","0.0707","0.0757","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233697","14.3924","0.0001","9.6206","0.0002","17.4245","0.0003","90","","105.84","0.001","90","","2321.04","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^O^1^:O^2^,O^2'^:O^4^)erbium(III)] dihydrate]","","- C20 H19 Er N2 O11 S -","- C20 H19 Er N2 O11 S -","- C80 H76 Er4 N8 O44 S4 -","4","1","XU5455","Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng","Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^O^1^:O^2^,O^2'^:O^4^)erbium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","2","m226","","10.1107/S1600536812003467","","","0.71073","MoKα","","0.0401","0.037","","","0.0919","0.0948","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233698","8.0136","0.0012","12.2741","0.0019","9.2061","0.0016","90","","115.268","0.005","90","","818.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate","","- C10 H20 N2 O8 S2 -","- C10 H20 N2 O8 S2 -","- C20 H40 N4 O16 S4 -","2","0.5","XU5456","Gao, Shan; Ng, Seik Weng","Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate","Acta Crystallographica Section E","2012","68","2","o555","","10.1107/S1600536812003406","","","0.71073","MoKα","","0.045","0.0423","","","0.1121","0.115","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233699","9.2722","0.0005","21.4148","0.0015","16.5695","0.0008","90","","95.2","0.004","90","","3276.5","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane- κ^2^P,P']chromium(0)","","- C32 H32 Cr O5 P2 Si2 -","- C32 H32 Cr O5 P2 Si2 -","- C128 H128 Cr4 O20 P8 Si8 -","4","1","YK2038","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","Tetracarbonyl[bis(diphenylphosphanyl)tetramethyldisiloxane-κ^2^P,P']chromium(0)","Acta Crystallographica Section E","2012","68","2","m119","","10.1107/S1600536812000219","","","0.71073","MoKα","","0.0533","0.0347","","","0.0564","0.0593","","","","","","0.786","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233700","9.493","0.002","21.406","0.006","15.743","0.004","90","","93.562","0.004","90","","3192.9","1.4","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(4R,5R)-(2,2-Dimethyl-1,3-dioxolane-4,5- diyl)bis(diphenylmethanolato)]-κ^2^O:O']bis(N- methylmethanaminato)titanium(IV)","","- C35 H40 N2 O4 Ti -","- C35 H40 N2 O4 Ti -","- C140 H160 N8 O16 Ti4 -","4","2","YK2040","Roteta, Leslie; Tanski, Joseph M.","[(4R,5R)-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^O:O']bis(N-methylmethanaminato)titanium(IV)","Acta Crystallographica Section E","2012","68","2","m217","","10.1107/S1600536812002929","","","0.71073","MoKα","","0.1165","0.0677","","","0.1462","0.1695","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233701","7.166","0.002","7.643","0.002","27.802","0.009","90","","90","","90","","1522.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","","- C8 H18 Co O16 -","- C8 H18 Co O16 -","- C32 H72 Co4 O64 -","4","1","ZJ2043","Du, Chao-Jun; Zhang, Qun-An; Wang, Li-Sheng; Du, Chao-Ling","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","2","m99","m100","10.1107/S1600536811054390","","","0.71073","MoKα","","0.0544","0.05","","","0.1118","0.1155","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233702","16.3621","0.0011","5.918","0.0004","13.1706","0.0009","90","","113.639","0.005","90","","1168.31","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol salicylaldehyde azine","2-((1E)-{(E)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1- ylidene}methyl)phenol","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","ZJ2044","Saeed, Aamer; Bolte, Michael; Arshad, Muhammad","Space group revsion of the triclinic polymorph of salicylaldehyde azine","Acta Crystallographica Section E","2012","68","2","o255","","10.1107/S160053681105478X","","","0.71073","MoKα","","0.0499","0.0448","","","0.1133","0.116","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233703","20.103","0.003","5.0634","0.0009","16.036","0.003","90","","110.142","0.002","90","","1532.5","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag(C5H3N1SO3Br)","Poly[(μ~4~-5-bromopyridine-3-sulfonato)silver(I)]","","- C5 H3 Ag Br N O3 S -","- C5 H3 Ag Br N O3 S -","- C40 H24 Ag8 Br8 N8 O24 S8 -","8","1","ZJ2045","Lu, Ying-Bing; Jian, Fang-Mei","Poly[(μ~4~-5-bromopyridine-3-sulfonato)silver(I)]","Acta Crystallographica Section E","2012","68","2","m101","","10.1107/S1600536811055206","","","0.71073","MoKα","","0.0408","0.0376","","","0.1482","0.1519","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233704","3.83162","0.00019","11.8651","0.0007","12.7608","0.0007","90","","100.886","0.002","90","","569.7","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloropyrimidin-4-amine","","- C4 H4 Cl N3 -","- C4 H4 Cl N3 -","- C16 H16 Cl4 N12 -","4","1","ZJ2047","van Albada, Gerard A.; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","2-Chloropyrimidin-4-amine","Acta Crystallographica Section E","2012","68","2","o302","","10.1107/S1600536811055863","","","0.71075","MoKα","","0.0496","0.0349","","","0.0823","0.0915","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233705","7.8291","0.0001","21.6666","0.0004","12.0332","0.0002","90","","107.845","0.001","90","","1942.99","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2,2-bis(phenylsulfonyl)ethenyl]-4-methoxybenzene","","- C21 H18 O5 S2 -","- C21 H18 O5 S2 -","- C84 H72 O20 S8 -","4","1","ZJ2048","Asahara, Haruyasu; Mayer, Peter; Mayr, Herbert","1-[2,2-Bis(phenylsulfonyl)ethenyl]-4-methoxybenzene","Acta Crystallographica Section E","2012","68","2","o470","","10.1107/S1600536812001961","","","0.71073","MoKα","","0.0399","0.033","","","0.0806","0.0842","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233706","8.743","0.0017","9.5463","0.0019","14.109","0.003","95","0.03","101.89","0.03","96.29","0.03","1138.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2-amino-3,5-dimethylbenzenesulfonate monohydrate","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C48 H62 N6 O8 S2 -","2","1","ZJ2049","Li, Liang; Tao, Xutang; Yang, Huai; Yang, Zhou","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 2-amino-3,5-dimethylbenzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","2","o426","o427","10.1107/S160053681200089X","","","0.71073","MoKα","","0.0515","0.0474","","","0.1188","0.1218","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233707","12.2179","0.0006","4.0007","0.0002","12.8451","0.0006","90","","109.731","0.003","90","","591.01","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromopyridin-2-amine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C20 H20 Br4 N8 -","4","1","ZJ2050","Johnson, Marcelle; Lemmerer, Andreas","3-Bromopyridin-2-amine","Acta Crystallographica Section E","2012","68","2","o385","","10.1107/S1600536811055541","","","0.71073","MoKα","","","0.034","","","","0.0821","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233708","5.1093","0.0004","9.2367","0.0008","9.6769","0.0008","68.725","0.003","82.576","0.003","89.045","0.003","421.77","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Beta-alanine lithium sulphate monohydrate","Poly[μ~3~-β-alanine-aqua-μ~4~-sulfato-dilithium]","","- C3 H9 Li2 N O7 S -","- C3 H9 Li2 N O7 S -","- C6 H18 Li4 N2 O14 S2 -","2","1","ZJ2051","Sweetlin, M. Daniel; Eapen, Shibu M.; Perumal, S.; Ramalingom, S.","Poly[μ~3~-β-alanine-aqua-μ~4~-sulfato-dilithium]","Acta Crystallographica Section E","2012","68","2","m206","m207","10.1107/S1600536812002115","","","0.71073","MoKα","","0.0439","0.0414","","","0.112","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233709","9.9429","0.0006","19.7506","0.0011","7.3696","0.0004","90","","104.422","0.002","90","","1401.62","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C64 H52 F4 O12 S4 -","4","1","ZJ2054","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","2","o455","","10.1107/S1600536812001602","","","0.71073","MoKα","","0.0578","0.0414","","","0.0994","0.1082","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233710","10.053","0.003","22.357","0.007","23.099","0.008","90","","90","","90","","5192","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis(dimethylglyoximato-κ^2^N,N')(ethyl pyridine-4-carboxylate-κN)cobalt(III) chloroform monosolvate","","- C17 H24 Cl4 Co N5 O6 -","- C17 H24 Cl4 Co N5 O6 -","- C136 H192 Cl32 Co8 N40 O48 -","8","1","ZL2444","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^N,N')(ethyl pyridine-4-carboxylate-κN)cobalt(III) chloroform monosolvate","Acta Crystallographica Section E","2012","68","2","m204","m205","10.1107/S1600536812002449","","","0.71073","MoKα","","0.0706","0.0514","","","0.1461","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233711","14.261","0.003","5.615","0.0011","25.823","0.005","90","","94.84","0.03","90","","2060.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","ZQ2149","Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao","1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","2","o431","","10.1107/S1600536812001110","","","0.71073","MoKα","","0.0993","0.0508","","","0.1228","0.1432","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233712","14.8736","0.0007","17.4346","0.0009","18.1756","0.001","90","","116.023","0.003","90","","4235.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-N- phenylhydrazinecarbothioamide","","- C15 H11 F N4 O S -","- C15 H11 F N4 O S -","- C180 H132 F12 N48 O12 S12 -","12","3","ZS2169","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","2","o285","o286","10.1107/S160053681105433X","","","0.71073","MoKα","","0.1275","0.0668","","","0.1084","0.1281","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233713","8.6431","0.0017","24.465","0.005","9.875","0.002","90","","104.99","0.03","90","","2017","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","O,O'-Diisopropyl S-[2-(benzenesulfonamido)ethyl]phosphorodithioate","O,O'-Diisopropyl S-[2-(benzenesulfonamido)ethyl]dithiophosphate","","- C14 H24 N O4 P S3 -","- C14 H24 N O4 P S3 -","- C56 H96 N4 O16 P4 S12 -","4","1","ZS2173","Wu, Hai-Feng; Liu, Xin-Yi; Zhang, Fan-Hua; He, Yun-Xiao","O,O'-Diisopropyl S-[2-(benzenesulfonamido)ethyl]phosphorodithioate","Acta Crystallographica Section E","2012","68","2","o282","","10.1107/S160053681105536X","","","0.71073","MoKα","","0.0692","0.0409","","","0.1011","0.1272","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233714","8.2552","0.001","8.8074","0.0011","9.1399","0.001","67.879","0.012","68.78","0.011","75.096","0.011","568.23","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane- κ^4^N,N',N'',N''')bis(nitrato-κO)copper(II)","","- C20 H40 Cu N6 O6 -","- C20 H40 Cu N6 O6 -","- C20 H40 Cu N6 O6 -","1","0.5","XU5440","Choi, Jong-Ha; Subhan, Md Abdus; Ng, Seik Weng","(3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^N,N',N'',N''')bis(nitrato-κO)copper(II)","Acta Crystallographica Section E","2012","68","2","m190","","10.1107/S1600536812001845","","","0.71073","MoKα","","0.0642","0.0523","","","0.1263","0.1324","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233715","19.972","0.002","4.7426","0.0005","20.613","0.002","90","","95.815","0.002","90","","1942.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Chloro-N-{2-[(1H-pyrrol-2- yl)carbonyloxy]ethyl}anilino)ethyl 1H-pyrrole-2-carboxylate","","- C20 H20 Cl N3 O4 -","- C20 H20 Cl N3 O4 -","- C80 H80 Cl4 N12 O16 -","4","1","CV5220","Yan, Ying; Zhang, Guilong; Yin, Zhenming","2-(4-Chloro-N-{2-[(1H-pyrrol-2-yl)carbonyloxy]ethyl}anilino)ethyl 1H-pyrrole-2-carboxylate","Acta Crystallographica Section E","2012","68","2","o378","","10.1107/S1600536811056170","","","0.71073","MoKα","","0.1102","0.0382","","","0.0757","0.1057","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233717","7.1627","0.0017","10.276","0.002","24.605","0.006","90","","90","","90","","1811","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-b]furan-4-yl)methyl 2-methylbut-2-enoate","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","AA2037","Rojano-Vilchis, Nadia; Hernández-Ortega, Simón; Jimenez-Estrada, Manuel; Torres Avilez, Armando","14-Angeloyloxycacalohastine from Psacalium peltatum","Acta Crystallographica Section E","2012","68","3","o672","o673","10.1107/S1600536812004199","","","0.71073","MoKα","","0.0405","0.0351","","","0.0921","0.0945","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233718","9.9012","0.0002","11.3431","0.0002","16.0701","0.0003","100.17","0.001","90.487","0.001","98.373","0.001","1756.46","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","2","AA2044","Sakthivel, Karuppusamy; Srinivasan, Kannupal; Natarajan, Sampath","(3-Ethyl-6,7-dimethoxynaphthalen-1-yl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o652","","10.1107/S1600536812004734","","","0.71073","MoKα","","0.0928","0.062","","","0.1831","0.2135","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233719","12.647","0.003","8.1065","0.0016","20.58","0.004","90","","107.42","0.03","90","","2013.2","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]dibenzimidazole hemihydrate","","- C21 H23 Br2 N4 O0.5 -","- C21 H23 Br2 N4 O0.5 -","- C84 H92 Br8 N16 O2 -","4","1","BG2435","Wang, Xing; Liu, Chun-Bo; Wang, Shen-Tang; Yan, Yong-Sheng; Liu, Ling","2,2'-Dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]dibenzimidazole hemihydrate","Acta Crystallographica Section E","2012","68","3","o856","","10.1107/S1600536812007751","","","0.71073","MoKα","","0.1013","0.0742","","","0.1442","0.1593","","","","","","1.126","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2233720","12.86","0.007","14.928","0.008","15.015","0.011","90","","113.967","0.006","90","","2634","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-N-Butyl-3-(3,4-dihydroxyphenyl)acrylamide monohydrate","","- C13 H18 N O3.5 -","- C13 H18 N O3.5 -","- C104 H144 N8 O28 -","8","1","BG2440","Han, Yan; Hao, Mi-Hua","(E)-N-Butyl-3-(3,4-dihydroxyphenyl)acrylamide hemihydrate","Acta Crystallographica Section E","2012","68","3","o727","","10.1107/S1600536812005570","","","0.71073","MoKα","","0.0586","0.0417","","","0.1073","0.12","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2233721","5.677","0.003","9.186","0.004","16.531","0.007","90","","98.91","0.03","90","","851.7","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","cis-Zearalenone","(3S,11Z)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro- 1H-2-benzoxacyclotetradecine-1,7(8H)-dione","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","BG2443","Köppen, Robert; Riedel, Juliane; Emmerling, Franziska; Koch, Matthias","(3S,11Z)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (cis-zearalenone): a redetermination","Acta Crystallographica Section E","2012","68","3","o832","","10.1107/S1600536812002735","","","0.71073","MoKα","","0.0893","0.0383","","","0.0862","0.1237","","","","","","0.865","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233722","8.375","0.002","16.005","0.004","14.057","0.004","90","","102.618","0.004","90","","1838.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(1-methyl-1Himidazole-κN^3^)zinc]- μ-3-nitrophthalato-κ^2^O^1^:O^2^]","","- C16 H15 N5 O6 Zn -","- C16 H15 N5 O6 Zn -","- C64 H60 N20 O24 Zn4 -","4","1","BH2410","Zhang, Xi-Juan; Guo, Ming-Lin","catena-Poly[[bis(1-methyl-1H-imidazole-κN^3^)zinc]-μ-3-nitrophthalato-κ^2^O^1^:O^2^]","Acta Crystallographica Section E","2012","68","3","m262","m263","10.1107/S1600536812004576","","","0.71073","MoKα","","0.0302","0.0275","","","0.0728","0.0741","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233723","17.9907","0.0018","5.0898","0.0004","13.2564","0.001","90","","90","","90","","1213.88","0.18","296","","296","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(E)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","BH2411","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","(E)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2012","68","3","o578","","10.1107/S1600536812003212","","","0.71073","MoKα","","0.051","0.0374","","","0.0784","0.0837","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233724","8.2981","0.0001","9.2963","0.0002","20.7796","0.0003","90","","112.815","0.001","90","","1477.56","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-1-phenyl-1H-benzimidazole","","- C19 H13 Cl N2 -","- C19 H13 Cl N2 -","- C76 H52 Cl4 N8 -","4","1","BH2413","Kassim, Karimah; Hashim, N. Zakiah N.; Fadzil, Adibatul Husna; Yusof, M. Sukeri M.","2-(4-Chlorophenyl)-1-phenyl-1H-benzimidazole","Acta Crystallographica Section E","2012","68","3","o799","","10.1107/S1600536812006678","","","0.71073","MoKα","","0.0472","0.0388","","","0.1005","0.1063","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233725","11.5157","0.0002","9.8239","0.0001","14.0922","0.0002","90","","99.035","0.002","90","","1574.46","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S,7S,8S,8aS)-6-Ethyl-3-oxo- 1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","2","BQ2336","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Marchalín, Štefan","(6S,7S,8S,8aS)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate","Acta Crystallographica Section E","2012","68","3","o662","o663","10.1107/S1600536812005144","","","0.71073","MoKα","","0.0521","0.0371","","","0.0985","0.1037","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233726","7.9332","0.0002","8.2265","0.0002","22.7419","0.0005","90","","92.769","0.001","90","","1482.46","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","BQ2337","Sohail, Muhammad; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafique, Muhammad; Ashfaq, Muhammad","Methyl 4-{[(4-methylphenyl)sulfonyl]amino}benzoate","Acta Crystallographica Section E","2012","68","3","o666","","10.1107/S160053681200476X","","","0.71073","MoKα","","0.0471","0.0385","","","0.1027","0.1131","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233727","19.329","0.004","6.7967","0.0012","8.2501","0.0016","90","","90","","90","","1083.8","0.4","298","2","298","2","","","","","","","","4","P m n 21","P 2ac -2","31","","2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C50 H62 N2 O6 -","2","0.5","BQ2338","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-7-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","3","o779","o780","10.1107/S1600536812006563","","","0.71073","MoKα","","0.0501","0.0368","","","0.0868","0.0942","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233728","8.437","0.0004","10.6711","0.0005","11.7559","0.0005","92.914","0.001","96.949","0.001","93.978","0.001","1046.23","0.08","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(8-Bromoimidazo[1,2-a]pyridin-2-yl)-N'-[(E)- 4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate","","- C20 H26 Br N5 O4 -","- C20 H26 Br N5 O4 -","- C40 H52 Br2 N10 O8 -","2","1","BQ2340","Fun, Hoong-Kun; Loh, Wan-Sin; Shenvi, Seema; Isloor, Arun M.; Hegde, Gurumurthy","2-(8-Bromoimidazo[1,2-a]pyridin-2-yl)-N'-[(E)-4-diethylamino-2-hydroxybenzylidene]acetohydrazide dihydrate","Acta Crystallographica Section E","2012","68","3","o816","o817","10.1107/S160053681200685X","","","0.71073","MoKα","","0.032","0.0273","","","0.0745","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233729","29.544","0.004","11.6258","0.0012","20.247","0.003","90","","129.391","0.002","90","","5374.5","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua(benzamidato-κN)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl- κC^1^]iridium(III) methanol monosolvate","","- C30 H24 F4 Ir N3 O3 -","- C30 H20 F4 Ir N3 O3 -","- C240 H160 F32 Ir8 N24 O24 -","8","1","BR2185","Zhang, Songlin; Wu, Feng; Ding, Yuqiang","Aqua(benzamidato-κN)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl-κC^1^]iridium(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","3","m310","","10.1107/S1600536812005922","","","0.71075","MoKα","","0.0567","0.0451","","","0.0949","0.1005","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233730","13.056","0.002","13.056","0.003","12.48","0.003","90","","90","","120","","1842.3","0.7","293","2","293","2","","","","","","","","6","P 6 2 2","P 6 2","177","","Tris(2,2'-bipyridine-κ^2^N,N')cobalt(III) tris(oxalato-κ^2^O^1^,O^2^)ferrate((III) monohydrate","","- C36 H26 Co Fe N6 O13 -","- C36 H26.001 Co Fe N6 O13 -","- C72 H52.002 Co2 Fe2 N12 O26 -","2","0.166667","BR2188","Chygorin, Eduard N.; Petrusenko, Svitlana R.; Kokozay, Volodymyr N.; Omelchenko, Irina V.; Shishkin, Oleg V.","Tris(2,2'-bipyridine-κ^2^N,N')cobalt(III) tris(oxalato-κ^2^O^1^,O^2^)ferrate(III) monohydrate","Acta Crystallographica Section E","2012","68","3","m233","m234","10.1107/S1600536812003224","","","0.71073","MoKα","","0.0852","0.0625","","","0.1451","0.1546","","","","","","1.038","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233731","9.6463","0.0004","7.7062","0.0003","22.4675","0.0009","90","","100.337","0.002","90","","1643.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (E)-2-({2-[(E)-(hydroxyimino)methyl]phenoxy}methyl)- 3-phenylacrylate","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","BT5745","Suresh, G.; Sabari, V.; Srinivasan, J.; Mannickam, Bakthadoss; Aravindhan, S.","Methyl (E)-2-({2-[(E)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","Acta Crystallographica Section E","2012","68","3","o608","","10.1107/S1600536812002711","","","0.71073","MoKα","","0.072","0.0458","","","0.1119","0.1271","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233732","8.4851","0.0002","9.39","0.0003","10.0779","0.0003","100.208","0.002","90.725","0.001","105.206","0.001","761.1","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)- 3-p-tolylacrylonitrile","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","BT5756","Suresh, G.; Sabari, V.; Srinivasan, J.; Mannickam, Bakthadoss; Aravindhan, S.","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)-3-p-tolylacrylonitrile","Acta Crystallographica Section E","2012","68","3","o570","","10.1107/S160053681200270X","","","0.71073","MoKα","","0.0686","0.0468","","","0.1316","0.1511","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233733","15.8867","0.0005","6.2381","0.0002","15.1874","0.0004","90","","107.199","0.002","90","","1437.81","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)-3- phenylacrylonitrile","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BT5765","Govindan, Suresh; Vijayakumar, Sabari; Jayakumar, Srinivasan; Mannickam, Bakthadoss; Sanmargam, Aravindhan","(E)-2-({2-[(E)-(Hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylonitrile","Acta Crystallographica Section E","2012","68","3","o596","","10.1107/S1600536812003923","","","0.71073","MoKα","","0.0885","0.0492","","","0.1106","0.1307","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233734","10.6604","0.0006","15.7278","0.0007","10.8066","0.0005","90","","110.12","0.002","90","","1701.31","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Formyl-c-3,t-3-dimethyl-r-2,c-6-diphenylpiperidin-4-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","BT5783","Ravichandran, K.; Sakthivel, P.; Ramesh, P.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Formyl-c-3,t-3-dimethyl-r-2,c-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2012","68","3","o870","","10.1107/S1600536812007015","","","0.71073","MoKα","","0.0697","0.0423","","","0.1091","0.125","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233735","7.879","0.005","8.45","0.005","13.438","0.005","80.629","0.005","85.273","0.005","75.352","0.005","853.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Nitro-1-phenylbutyl)-4-phenyl-1,2,3-selenadiazole","","- C18 H17 N3 O2 Se -","- C18 H17 N3 O2 Se -","- C36 H34 N6 O4 Se2 -","2","1","BT5784","Sankari, S.; Sugumar, P.; Manisankar, P.; Muthusubramanian, S.; Ponnuswamy, M. N.","5-(2-Nitro-1-phenylbutyl)-4-phenyl-1,2,3-selenadiazole","Acta Crystallographica Section E","2012","68","3","o871","","10.1107/S1600536812007027","","","0.71073","MoKα","","0.043","0.0316","","","0.0746","0.0785","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233736","5.8761","0.0003","9.0858","0.0005","17.7107","0.0009","90","","90","","90","","945.56","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7aS)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3H- pyrrolizin-2-yl)sulfonium","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","BT5793","Gutiérrez-Lazcano, Leonardo; Terán, Joel L.; Juárez, Jorge R.; Flores-Alamo, Marcos; Mendoza, Angel","(7aS)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3H-pyrrolizin-2-yl)sulfonium","Acta Crystallographica Section E","2012","68","3","o752","","10.1107/S1600536812003601","","","0.71073","MoKα","","0.0311","0.0274","","","0.0636","0.0648","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233737","8.3042","0.0019","14.642","0.003","10.37","0.002","90","","92.912","0.004","90","","1259.3","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","BT5794","Avila-Sorrosa, Alcives; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","1-Ethenyl-4-[(phenylsulfanyl)methyl]benzene","Acta Crystallographica Section E","2012","68","3","o637","","10.1107/S1600536812002899","","","0.71073","MoKα","","0.0891","0.0567","","","0.1234","0.1403","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233738","9.575","0.003","12.248","0.004","17.814","0.005","106.12","0.03","90.42","0.03","98.74","0.03","1981","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","cis-Dichloridobis[tris(2-methylphenoxy)phosphane-κP]palladium(II)","","- C42 H42 Cl2 O6 P2 Pd -","- C42 H42 Cl2 O6 P2 Pd -","- C84 H84 Cl4 O12 P4 Pd2 -","2","1","BT5800","Błaszczyk, Izabela; Trzeciak, Anna M.; Gniewek, Andrzej","cis-Dichloridobis[tris(2-methylphenoxy)phosphane-κP]palladium(II)","Acta Crystallographica Section E","2012","68","3","m270","m271","10.1107/S160053681200342X","","","0.71073","MoKα","","0.039","0.034","","","0.0913","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233739","10.86","0.001","11.716","0.002","12.841","0.002","114.51","0.02","102.99","0.02","91.16","0.01","1436.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C56 H48 N8 O20 S4 -","4","2","BT5801","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o572","","10.1107/S1600536812003522","","","0.71073","MoKα","","0.0798","0.0492","","","0.1008","0.1161","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233740","15.1569","0.0003","5.6333","0.0001","19.5468","0.0004","90","","109.295","0.002","90","","1575.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","1","BT5803","Naveed Umar, Muhammad; Shoaib, Mohammad; Ng, Seik Weng","2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one","Acta Crystallographica Section E","2012","68","3","o575","","10.1107/S1600536812003686","","","1.54184","CuKα","","0.0378","0.0364","","","0.0965","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233741","8.0661","0.0003","12.49","0.0007","20.8047","0.0011","106.101","0.005","98.366","0.003","91.609","0.003","1987.17","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(Pyridin-2-yl)-2-[2-(trifluoromethyl)benzyl]- 3-[2-(trifluoromethyl)phenyl]propan-1-one","","- C23 H17 F6 N O -","- C23 H17 F6 N O -","- C92 H68 F24 N4 O4 -","4","2","BT5804","Naveed Umar, Muhammad; Shoaib, Mohammad; Ng, Seik Weng","1-(Pyridin-2-yl)-2-[2-(trifluoromethyl)benzyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one","Acta Crystallographica Section E","2012","68","3","o576","","10.1107/S1600536812003698","","","1.54184","CuKα","","0.0535","0.0503","","","0.1461","0.1505","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233742","7.1215","0.0003","14.5243","0.0006","11.9233","0.0005","90","","94.081","0.003","90","","1230.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Dioxido[N'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato- κ^3^O,N',O']vanadium(V)","","- C13 H10 N3 O4 V -","- C13 H10 N3 O4 V -","- C52 H40 N12 O16 V4 -","4","1","BT5805","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","cis-Dioxido[N'-(2-oxidobenzylidene)pyridinium-4-carbohydrazidato-κ^3^O,N',O']vanadium(V)","Acta Crystallographica Section E","2012","68","3","m236","","10.1107/S1600536812003637","","","1.54184","CuKα","","0.0661","0.0644","","","0.17","0.1705","","","","","","1.255","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233743","8.0446","0.001","8.8031","0.0009","10.2809","0.001","90","","98.989","0.011","90","","719.12","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","","- C17 H15 N S -","- C17 H15 N S -","- C34 H30 N2 S2 -","2","1","BT5806","Kahveci Yağcı, Nermin; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(E)-N-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline","Acta Crystallographica Section E","2012","68","3","o623","o624","10.1107/S1600536812004151","","","0.71073","MoKα","","0.0478","0.04","","","0.0921","0.101","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233744","9.2961","0.0002","17.3529","0.0002","10.6201","0.0002","90","","115.269","0.003","90","","1549.25","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(1,10-phenanthroline- κ^2^N,N')(trichloroacetato-κO)copper(II)]","","- C28 H16 Cl8 Cu2 N4 O4 -","- C28 H16 Cl8 Cu2 N4 O4 -","- C56 H32 Cl16 Cu4 N8 O8 -","2","0.5","BT5807","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Di-μ-chlorido-bis[(1,10-phenanthroline-κ^2^N,N')(trichloroacetato-κO)copper(II)]","Acta Crystallographica Section E","2012","68","3","m242","m243","10.1107/S1600536812003947","","","1.54184","CuKα","","0.0271","0.0255","","","0.069","0.0701","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233745","12.2408","0.0003","10.4427","0.0002","12.9099","0.0003","90","","101.951","0.001","90","","1614.47","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine","","- C20 H15 F N4 -","- C20 H15 F N4 -","- C80 H60 F4 N16 -","4","1","BT5808","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","3","o632","","10.1107/S1600536812004096","","","0.71073","MoKα","","0.0655","0.0479","","","0.1302","0.1387","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233746","8.5088","0.0014","9.8797","0.0011","10.4264","0.0014","79.906","0.01","78.764","0.01","86.245","0.009","845.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol- 5-amine","","- C20 H14 F N5 O2 -","- C20 H14 F N5 O2 -","- C40 H28 F2 N10 O4 -","2","1","BT5809","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","3","o633","","10.1107/S1600536812004102","","","1.54178","CuKα","","0.0865","0.0701","","","0.1922","0.2468","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233747","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''- indoline]-2,2''-dione","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","BT5810","Ganapathy, Jagadeesan; Damodharan, Kannan; Manickam, Bakthadoss; Sanmargam, Aravindhan; Krishnasamy, Gunasekaran","1'-Methyl-4'-phenyldispiro[chromane-3,3'-pyrrolidine-2',3''-indoline]-2,2''-dione","Acta Crystallographica Section E","2012","68","3","o915","","10.1107/S1600536812008288","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233748","12.73","0.0016","12.73","0.0016","66.789","0.012","90","","90","","120","","9373","2","200","2","200","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2- ylidene}silver(I)) dichloride","","- C16 H30 Ag Cl N6 -","- C16 H30 Ag Cl N6 -","- C288 H540 Ag18 Cl18 N108 -","18","","BT5811","Topf, Christoph; Leitner, Sebastian; Monkowius, Uwe","μ~3~-Chlorido-tris(bis{1-[2-(dimethylamino)ethyl]-3-methylimidazol-2-ylidene}silver(I)) dichloride","Acta Crystallographica Section E","2012","68","3","m272","","10.1107/S1600536812004473","","","0.71073","MoKα","","0.0422","0.0343","","","0.0894","0.0947","","","","","","1.028","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2233749","9.6796","0.0003","15.3312","0.0005","10.3593","0.0002","90","","108.149","0.002","90","","1460.84","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(E)-Phenyl(2-phenylhydrazin-1-ylidene)methyl]phenol","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","BT5814","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-[(E)-Phenyl(2-phenylhydrazin-1-ylidene)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o796","o797","10.1107/S1600536812005387","","","0.71073","MoKα","","0.0668","0.0505","","","0.1299","0.1414","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233750","7.9714","0.0003","13.5021","0.0007","12.1081","0.0005","90","","90.186","0.003","90","","1303.2","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{(E)-1-[2-(4-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","1","BT5815","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{(E)-1-[2-(4-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol","Acta Crystallographica Section E","2012","68","3","o685","o686","10.1107/S1600536812005399","","","0.71073","MoKα","","0.1347","0.0823","","","0.1543","0.1835","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233751","7.9262","0.0004","8.9078","0.0005","13.2331","0.0006","74.387","0.003","83.593","0.002","75.77","0.003","871.2","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (Z)-2-[(4-bromo-2-formylphenoxy)methyl]- 3-(4-methylphenyl)acrylate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C38 H34 Br2 O8 -","2","1","BT5816","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (Z)-2-[(4-bromo-2-formylphenoxy)methyl]-3-(4-methylphenyl)acrylate","Acta Crystallographica Section E","2012","68","3","o775","","10.1107/S1600536812006630","","","0.71073","MoKα","","0.0658","0.0402","","","0.1055","0.1208","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233752","14.583","0.002","6.3366","0.0017","24.697","0.003","90","","93.598","0.014","90","","2277.7","0.7","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 F N2 O4 -","- C25 H33 F N2 O4 -","- C100 H132 F4 N8 O16 -","4","2","BT5817","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","12-{[4-(2-Fluorophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o741","o742","10.1107/S1600536812006411","","","0.71073","MoKα","","0.0743","0.0676","","","0.1916","0.1968","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233753","6.1359","0.0005","4.7512","0.0004","21.31","0.003","90","","96.195","0.009","90","","617.62","0.11","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","(2E)-2-(4-Bromobenzylidene)-2,3-dihydro-1H-inden-1-one","","- C16 H11 Br O -","- C16 H11 Br O -","- C32 H22 Br2 O2 -","2","1","BT5818","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-(4-Bromobenzylidene)-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","3","o755","","10.1107/S1600536812006654","","","0.71073","MoKα","","0.0445","0.0356","","","0.0636","0.0676","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233754","12.0236","0.0018","14.054","0.002","15.95","0.002","90","","107.796","0.002","90","","2566.3","0.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione","","- C33 H30 N2 O3 -","- C33 H30 N2 O3 -","- C132 H120 N8 O12 -","4","1","BT5819","Selvanayagam, S.; Sridhar, B.; Saravanan, P.; Raghunathan, R.","1-(2-Hydroxyethyl)-1'-methyl-4'-(naphthalen-1-yl)-1'',2'',3'',4''-tetrahydrodispiro[indoline-3,2'-pyrrolidine-3',2''-naphthalene]-2,1''-dione","Acta Crystallographica Section E","2012","68","3","o800","o801","10.1107/S1600536812006617","","","0.71073","MoKα","","0.0537","0.0439","","","0.1213","0.1302","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233755","6.8788","0.0009","7.9713","0.0009","21.119","0.003","86.76","0.01","86.48","0.01","79.45","0.01","1135.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(3-Chloro-4-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","2","BT5820","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3-Chloro-4-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o835","","10.1107/S1600536812007623","","","0.71073","MoKα","","0.1323","0.0829","","","0.1412","0.159","","","","","","1.261","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233756","5.6401","0.0001","16.104","0.0002","11.3759","0.0002","90","","99.762","0.002","90","","1018.29","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,6-Bis[(S)-1-phenylethyl]-1H,5H- pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","- C52 H40 N4 O8 -","2","1","BT5823","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","2,6-Bis[(S)-1-phenylethyl]-1H,5H-pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","Acta Crystallographica Section E","2012","68","3","o907","","10.1107/S1600536812007684","","","1.5418","CuKα","","0.0326","0.0326","","","0.0992","0.0992","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233757","7.0473","0.0001","14.3274","0.0003","10.7796","0.0002","90","","96.921","0.002","90","","1080.48","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","BT5824","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one","Acta Crystallographica Section E","2012","68","3","o908","","10.1107/S1600536812007908","","","1.5418","CuKα","","0.0284","0.0278","","","0.0727","0.0732","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233758","8.6585","0.0002","10.6744","0.0002","43.6607","0.0006","90","","92.114","0.002","90","","4032.56","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-(7-Bromo-9-butyl-9H-carbazol-2-yl)-9,9-diethyl- N^2^,N^7^,N^7^-triphenyl-9H-fluorene-2,7-diamine","","- C51 H46 Br N3 -","- C51 H46 Br N3 -","- C204 H184 Br4 N12 -","4","1","BT5825","Baheti, Abhishek; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","N^2^-(7-Bromo-9-butyl-9H-carbazol-2-yl)-9,9-diethyl-N^2^,N^7^,N^7^-triphenyl-9H-fluorene-2,7-diamine","Acta Crystallographica Section E","2012","68","3","o860","o861","10.1107/S160053681200791X","","","1.54184","CuKα","","0.0509","0.0443","","","0.1072","0.1123","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233759","10.07","0.005","14.12","0.004","27.229","0.005","90","","90","","90","","3872","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-sulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C168 H184 N8 O32 S8 -","8","1","BT5826","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-sulfonamide","Acta Crystallographica Section E","2012","68","3","o890","","10.1107/S1600536812008203","","","0.71073","MoKα","","0.085","0.045","","","0.1004","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233760","9.7187","0.0009","13.596","0.001","8.499","0.0009","90","","99.64","0.01","90","","1107.16","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chloro-3-nitrophenyl)maleamic acid","","- C10 H7 Cl N2 O5 -","- C10 H7 Cl N2 O5 -","- C40 H28 Cl4 N8 O20 -","4","1","BT5827","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Chloro-3-nitrophenyl)maleamic acid","Acta Crystallographica Section E","2012","68","3","o873","","10.1107/S1600536812008021","","","0.71073","MoKα","","0.1006","0.0625","","","0.1549","0.1796","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233761","13.501","0.002","10.3222","0.0015","14.889","0.002","90","","100.453","0.005","90","","2040.5","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4- carboxylate dimethyl sulfoxide hemisolvate","","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C18 H16 Cl3 N4 O2.5 S0.5 -","- C72 H64 Cl12 N16 O10 S2 -","4","2","BT5829","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate","Acta Crystallographica Section E","2012","68","3","o917","o918","10.1107/S1600536812008264","","","0.71069","MoKα","","0.1507","0.0679","","","0.1075","0.1329","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233762","13.834","0.003","6.4746","0.0013","9.4642","0.0018","90","","103.807","0.009","90","","823.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)","2-bromo-N-[4-(2-bromo-2-methylpropanamido)phenyl]-2-methylpropanamide","","- C14 H18 Br2 N2 O2 -","- C14 H18 Br2 N2 O2 -","- C28 H36 Br4 N4 O4 -","2","0.5","BV2195","Haridharan, N.; Ramkumar, V.; Dhamodharan, R.","N,N'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)","Acta Crystallographica Section E","2012","68","3","o811","","10.1107/S1600536812003479","","","0.71073","MoKα","","0.2336","0.0557","","","0.1015","0.1457","","","","","","0.937","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233763","17.9222","0.0007","17.9222","0.0007","7.8915","0.0006","90","","90","","90","","2534.8","0.2","291","2","291","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Tetraaquatetrakis(4,4'-bipyridine dioxide-κO)terbium(III) octacyanidotungstate(V)","","- C48 H40 N16 O12 Tb W -","- C48 H40 N16 O12 Tb W -","- C96 H80 N32 O24 Tb2 W2 -","2","0.25","BX2386","Shi, Yu-Sheng; Ran, Mao-Qian; Chen, Ying-Ying; Yuan, Ai-Hua","Tetraaquatetrakis(4,4'-bipyridine dioxide-κO)terbium(III) octacyanidotungstate(V)","Acta Crystallographica Section E","2012","68","3","m288","","10.1107/S1600536812005004","","","0.71073","MoKα","","0.0158","0.0138","","","0.036","0.037","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233764","13.3181","0.001","4.2677","0.0003","12.4795","0.001","90","","95.143","0.006","90","","706.45","0.09","120","0.14","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1H-Benzimidazol-1-yl)methanol","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C32 H32 N8 O4 -","4","1","BX2398","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","(1H-Benzimidazol-1-yl)methanol","Acta Crystallographica Section E","2012","68","3","o615","","10.1107/S1600536812004114","","","1.5418","CuKα","","0.0443","0.0394","","","0.102","0.1052","","","","","","1.78","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233765","18.426","0.004","6.9082","0.0014","18.583","0.004","90","","111.98","0.03","90","","2193.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6- tricarboxylato)disamarium(III)] monohydrate]","","- C16 H16 N2 O18 Sm2 -","- C16 H16 N2 O18 Sm2 -","- C64 H64 N8 O72 Sm8 -","4","1","CV5233","Jin, Yong-Wei; Zhu, Hong-lin","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6-tricarboxylato)disamarium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","3","m287","","10.1107/S1600536812002462","","","0.71073","MoKα","","0.0202","0.0183","","","0.0404","0.0408","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233766","6.7032","0.0002","17.0523","0.0004","13.5406","0.0003","90","","100.194","0.003","90","","1523.33","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetraaquabis(isonicotinamide-κN^1^)cobalt(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H38 Co N4 O16 -","- C26 H38 Co N4 O16 -","- C52 H76 Co2 N8 O32 -","2","0.5","CV5239","Zaman, İIbrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","trans-Tetraaquabis(isonicotinamide-κN^1^)cobalt(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2012","68","3","m249","m250","10.1107/S1600536812003911","","","0.71073","MoKα","","0.0356","0.0338","","","0.085","0.0857","","","","","","1.227","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233767","8.1743","0.0004","16.6121","0.0009","9.0856","0.0005","90","","90","","90","","1233.75","0.11","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","","- C9 H9 N3 O9 -","- C9 H9 N3 O9 -","- C36 H36 N12 O36 -","4","1","CV5240","Merten, Günter J.; Neis, Christian; Hegetschweiler, Kaspar","1,2,3-Trimethoxy-4,5,6-trinitrobenzene","Acta Crystallographica Section E","2012","68","3","o694","","10.1107/S1600536812004783","","","0.71073","MoKα","","0.052","0.0344","","","0.0724","0.0806","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233768","6.7612","0.0014","10.878","0.002","10.297","0.002","90","","92.75","0.03","90","","756.5","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6-dinitropyrogallol","4,6-Dinitrobenzene-1,2,3-triol","","- C6 H4 N2 O7 -","- C6 H4 N2 O7 -","- C24 H16 N8 O28 -","4","1","CV5241","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","4,6-Dinitropyrogallol","Acta Crystallographica Section E","2012","68","3","o695","","10.1107/S1600536812004771","","","0.71073","MoKα","","0.0346","0.0313","","","0.087","0.0889","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233769","24.871","0.002","10.235","0.001","23.855","0.002","90","","103.646","0.002","90","","5901","0.9","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","N'-(2-Hydroxy-4-methoxybenzylidene)-4-methylbenzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C256 H256 N32 O48 -","16","4","CV5243","Zhang, Yan; Liu, Min; Ma, Jing-Jun","N'-(2-Hydroxy-4-methoxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o679","o680","10.1107/S1600536812005156","","","0.71073","MoKα","","0.1939","0.0831","","","0.1708","0.2238","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233770","4.8097","0.0008","7.3909","0.0009","16.147","0.002","85.15","0.01","85.86","0.01","89.57","0.01","570.45","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(2-Chloro-4-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","CV5244","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chloro-4-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o785","","10.1107/S1600536812005648","","","0.71073","MoKα","","0.0677","0.0528","","","0.1108","0.12","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233771","16.8944","0.0014","4.1959","0.0005","27.107","0.002","90","","96.084","0.008","90","","1910.7","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methylphenyl)-5-[({[5-(4-methylphenyl)-1,3,4-thiadiazol-2- yl]sulfanyl}methyl)sulfanyl]-1,3,4-thiadiazole","","- C19 H16 N4 S4 -","- C19 H16 N4 S4 -","- C76 H64 N16 S16 -","4","1","CV5245","Wang, Yong; Zhang, Wen-ge; Wang, Yu-bo; Yu, Jing-wen; Zhou, Lin","2-(4-Methylphenyl)-5-[({[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2012","68","3","o851","","10.1107/S1600536812007520","","","0.71073","MoKα","","0.0921","0.0572","","","0.1185","0.1417","","","","","","0.958","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233772","15.8432","0.0017","6.9942","0.0008","13.1975","0.0014","90","","90","","90","","1462.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C52 H32 Cl4 I8 N4 O4 -","4","0.5","CV5247","Ji, Hao; Yang, Yong-An; Ma, Hua-Ping; Zhu, Hai-Liang","2-[(2-Chlorophenyl)iminomethyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o841","","10.1107/S1600536812007325","","","0.71073","MoKα","","0.0423","0.0387","","","0.1385","0.1436","","","","","","0.976","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233773","8.2678","0.0007","8.5268","0.0006","8.5965","0.0007","92.65","0.006","116.592","0.008","104.045","0.007","517.28","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-Methylxanthen-9-one","","- C14 H10 O2 -","- C14 H10 O2 -","- C28 H20 O4 -","2","1","CV5249","Vinutha, N.; Anthal, Sumati; Ranganatha, V. Lakshmi; Khanum, Shaukath Ara; Revannasiddaiah, D.; Kant, Rajni; Gupta, Vivek K.","2-Methylxanthen-9-one","Acta Crystallographica Section E","2012","68","3","o872","","10.1107/S1600536812007702","","","0.71073","MoKα","","0.0884","0.0516","","","0.13","0.1517","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233774","7.709","0.0015","25.62","0.005","6.3624","0.0013","90","","112.08","0.03","90","","1164.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","DS2171","Qian, Xiao-Yan; Liu, Feng-Zhi","4,4'-Bipyridine‒2-methoxybenzoic acid (1/2)","Acta Crystallographica Section E","2012","68","3","o597","","10.1107/S1600536812003194","","","0.71073","MoKα","","0.0661","0.0522","","","0.1444","0.1537","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233775","6.7066","0.0007","11.9033","0.0011","30.322","0.004","90","","90","","90","","2420.6","0.5","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C26 H36 N2 O5 -","- C26 H36 N2 O5 -","- C104 H144 N8 O20 -","4","1","DS2172","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Mellouki, Fouad; Berraho, Moha","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o589","o590","10.1107/S1600536812003662","","","0.71073","MoKα","","0.0821","0.0548","","","0.116","0.1302","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233776","10.974","0.003","9.662","0.002","14.45","0.004","90","","105.059","0.015","90","","1479.5","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Ergotaminine","(6aR,9S)-N-[(2R,5S,10aS, 10bS)-5-Benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H- oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide","","- C33 H35 N5 O5 -","- C33 H35 N5 O5 -","- C66 H70 N10 O10 -","2","1","DS2173","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Ergotaminine","Acta Crystallographica Section E","2012","68","3","o610","o611","10.1107/S1600536812003674","","","0.71073","MoKα","","0.0633","0.0466","","","0.0862","0.0926","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233777","11.015","0.002","17.995","0.003","16.128","0.003","90","","90","","90","","3196.8","1","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Bis[4-amino-N-(pyrimidin-2-yl)benzenesulfonamidato](1,10- phenanthroline)nickel(II)","","- C32 H26 N10 Ni O4 S2 -","- C32 H26 N10 Ni O4 S2 -","- C128 H104 N40 Ni4 O16 S8 -","4","1","EZ2279","Hu, Xiu-Feng; Bing, Yue; Li, Xing; Kong, Zu-Ping","Bis[4-amino-N-(pyrimidin-2-yl)benzenesulfonamidato](1,10-phenanthroline)nickel(II)","Acta Crystallographica Section E","2012","68","3","m348","m349","10.1107/S1600536812008185","","","0.71073","MoKα","","0.0722","0.044","","","0.0965","0.1101","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233778","6.389","0.004","7.608","0.005","8.311","0.005","103.96","0.05","91.67","0.05","102.97","0.05","380.6","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","(E)-2,3-Bis[(E)-benzylideneamino]but-2-enedinitrile","","- C18 H12 N4 -","- C18 H12 N4 -","- C18 H12 N4 -","1","0.5","EZ2280","Akerman, Matthew P.; Maher, Sarah J.","(E)-2,3-Bis[(E)-benzylideneamino]but-2-enedinitrile","Acta Crystallographica Section E","2012","68","3","o688","","10.1107/S1600536812005363","","","0.71073","MoKα","","0.0663","0.0447","","","0.11","0.1166","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233779","8.8172","0.0008","32.669","0.003","7.69","0.0007","90","","94.901","0.002","90","","2207","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferasirox","4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","EZ2281","Fun, Hoong-Kun; Chantrapromma, Suchada; Dayananda, A. S.; Yathirajan, H. S.; Thomas, Saji","4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","3","o792","o793","10.1107/S1600536812005806","","","0.71073","MoKα","","0.0904","0.0579","","","0.1245","0.1435","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233780","6.5766","0.0005","4.8877","0.0004","18.2211","0.0013","90","","98.316","0.007","90","","579.55","0.08","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-Benzylisatin","1-benzylindoline-2,3-dione","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C30 H22 N2 O4 -","2","1","EZ2282","Schutte, M.; Visser, H. G.; Roodt, A.; Braband, H.","N-Benzylisatin","Acta Crystallographica Section E","2012","68","3","o777","","10.1107/S1600536812006575","","","0.71073","MoKα","","0.1242","0.0621","","","","0.1282","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233781","11.2458","0.0004","13.5995","0.0005","15.3604","0.0006","73.345","0.002","84.623","0.002","82.842","0.002","2228.92","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-Methyl-2-[(E)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate","","- C23 H27 N O7 S -","- C23 H27 N O7 S -","- C92 H108 N4 O28 S4 -","4","2","EZ2283","Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Anantapong, Teerasak; Boonnak, Nawong","1-Methyl-2-[(E)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","3","o898","o899","10.1107/S1600536812007805","","","0.71073","MoKα","","0.1099","0.0664","","","0.1566","0.1795","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233782","8.3945","0.0009","18.433","0.002","7.8686","0.001","90","","100.044","0.002","90","","1198.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]","","- C24 H18 Cu2 N4 O12 -","- C24 H18 Cu2 N4 O12 -","- C48 H36 Cu4 N8 O24 -","2","0.5","FF2054","Chen, Xiao-Li; Qiao, Ya-Li; Gao, Lou-Jun; Cui, Hua-Li; Zhang, Mei-Li","μ-4,4'-Bipyridine-bis[aqua(4-hydroxypyridine-2,6-dicarboxylato)copper(II)]","Acta Crystallographica Section E","2012","68","3","m326","m327","10.1107/S1600536812004758","","","0.71073","MoKα","","0.0575","0.045","","","0.0967","0.1033","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233783","5.8258","0.0012","9.4916","0.0019","24.35","0.005","90","","92.37","0.03","90","","1345.3","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(tert-butoxycarbonyl)amino]thiazole-5-carboxylate","","- C11 H16 N2 O4 S -","- C11 H16 N2 O4 S -","- C44 H64 N8 O16 S4 -","4","1","FF2055","Wang, Weisong; Zhong, Bohua; Shi, Weiguo","Ethyl 2-[(tert-butoxycarbonyl)amino]thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o747","","10.1107/S1600536812005971","","","0.71073","MoKα","","0.0751","0.0544","","","0.1351","0.1546","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233784","9.5537","0.0019","11.3","0.002","11.686","0.002","77.03","0.03","87.01","0.03","88.65","0.03","1227.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(1-Cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,4,5-tricarboxybenzene-1-carboxylate monohydrate","","- C26 H26 F N3 O10 -","- C26 H26 F N3 O10 -","- C52 H52 F2 N6 O20 -","2","1","FF2056","Yan, Shi-Wei; Liang, Yan-Chen; Liao, Qin; Xin, Guang-Hua; Ye, Zhong-Li","4-(1-Cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2,4,5-tricarboxybenzene-1-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o919","","10.1107/S1600536812008392","","","0.71073","MoKα","","0.0691","0.0496","","","0.1469","0.1594","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233785","14.36","0.004","18.855","0.006","17.919","0.005","90","","96.5","0.03","90","","4821","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-p- toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(Fe—Pt)","","- C55 H46 Fe N O5 P3 Pt S -","- C55 H46 Fe N O5 P3 Pt S -","- C220 H184 Fe4 N4 O20 P12 Pt4 S4 -","4","1","FI2121","Jourdain, Isabelle; Knorr, Michael; Koller, Stephan G.; Strohmann, Carsten","[μ-Bis(diphenylphosphanyl)methane]tricarbonyl(μ-p-toluenesulfonylmethyl isocyanato)(triphenylphosphane)ironplatinum(Fe—Pt)","Acta Crystallographica Section E","2012","68","3","m331","m332","10.1107/S1600536812004023","","","0.71073","MoKα","","0.0521","0.0385","","","0.0862","0.0902","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233786","6.036","0.003","7.603","0.003","8.906","0.004","98.386","0.006","99.742","0.003","96.802","0.005","394.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]","","- C6 H12 Nd2 O18 -","- C6 H12 Nd2 O18 -","- C6 H12 Nd2 O18 -","1","0.5","FI2122","Cao, Gao-Juan; Rong, Cheng; Li, Qing-lu; Jiang, Wen-Jing","Poly[[tetraaquadi-μ~4~-oxalato-μ~2~-oxalato-dineodymium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","3","m289","","10.1107/S1600536812005016","","","0.71073","MoKα","","0.0218","0.019","","","0.0435","0.0446","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233787","22.8275","0.0005","12.9547","0.0003","10.1512","0.0003","90","","92.095","0.002","90","","2999.94","0.13","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","catena-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^O:O']]","","- C28 H32 Cl2 Hg N2 O4 S -","- C28 H32 Cl2 Hg N2 O4 S -","- C112 H128 Cl8 Hg4 N8 O16 S4 -","4","1","FI2124","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","catena-Poly[bis(dibenzylammonium) [[dichloridomercurate(II)]-μ-sulfato-κ^2^O:O']]","Acta Crystallographica Section E","2012","68","3","m340","","10.1107/S1600536812006927","","","0.71073","MoKα","","0.0467","0.0455","","","0.1189","0.1211","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233788","36.1068","0.0001","6.8748","0.0001","8.4813","0.0004","90","","90","","90","","2105.29","0.1","90","0.2","90","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(Z)-2-{2,4-Dimethoxy-6-[(E)-4- methoxystyryl]benzylidene}quinuclidin-3-one","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C100 H108 N4 O16 -","4","1","FJ2476","Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","(Z)-2-{2,4-Dimethoxy-6-[(E)-4-methoxystyryl]benzylidene}quinuclidin-3-one","Acta Crystallographica Section E","2012","68","3","o730","","10.1107/S1600536812005843","","","0.71073","MoKα","","0.0406","0.0351","","","0.087","0.0904","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233789","11.0091","0.0012","9.9741","0.001","14.689","0.0016","90","","109.269","0.012","90","","1522.6","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl- 1,3-diazinane-5-carboxylate","","- C14 H14 F4 N2 O3 S -","- C14 H14 F4 N2 O3 S -","- C56 H56 F16 N8 O12 S4 -","4","1","FJ2501","Huang, Bao-Jun; Zhu, Lei; He, Qin","Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o880","","10.1107/S1600536812007465","","","0.71073","MoKα","","0.041","0.0334","","","0.0805","0.0835","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233790","8.0253","0.0019","16.208","0.004","12.807","0.003","90","","105.033","0.006","90","","1608.8","0.7","123.1","","123.1","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate)","","- C20 H44 Cl2 N4 Ni3 O8 S4 -","- C20 H44 Cl2 N4 Ni3 O8 S4 -","- C40 H88 Cl4 N8 Ni6 O16 S8 -","2","0.5","FJ2508","Hirotsu, Masakazu; Kuwamura, Naoto; Kinoshita, Isamu; Kojima, Masaaki; Yoshikawa, Yuzo","Bis(μ~2~-4,7-dimethyl-4,7-diazadecane-1,10-dithiolato)trinickel(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","3","m307","","10.1107/S1600536812006034","","","0.71075","MoKα","","0.037","0.0347","","","","0.0819","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2233791","10.8049","0.001","10.5497","0.0015","16.4936","0.0016","90","","97.141","0.008","90","","1865.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-3-[(Anilino)(naphthalen-2-yl)methyl]thian-4-one","","- C22 H21 N O S -","- C22 H21 N O S -","- C88 H84 N4 O4 S4 -","4","1","FJ2509","Harms, Klaus; Abaee, M. Saeed; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","rac-3-[(Anilino)(naphthalen-2-yl)methyl]thian-4-one","Acta Crystallographica Section E","2012","68","3","o749","","10.1107/S1600536812005983","","","0.71073","MoKα","","0.0573","0.0327","","","0.0702","0.0743","","","","","","0.785","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233792","5.8222","0.0004","15.5982","0.001","10.7299","0.0009","90","","97.693","0.006","90","","965.67","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","1:1 Dapsone-3,5-dinitrobenzoic acid adduct","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","","- C19 H16 N4 O8 S -","- C19 H16 N4 O8 S -","- C38 H32 N8 O16 S2 -","2","1","FJ2510","Smith, Graham; Wermuth, Urs D.","4-[(4-Aminophenyl)sulfonyl]aniline‒3,5-dinitrobenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","3","o669","","10.1107/S1600536812004709","","","0.71073","MoKα","","0.0875","0.0557","","","0.0945","0.102","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233793","8.3052","0.0007","9.212","0.0007","11.05","0.0009","68.341","0.002","79.127","0.003","84.913","0.002","771.45","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ-2-[bis(pyridin-2- yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate","","- C26 H28 Br2 Cu2 N10 O2 S2 -","- C26 H28 Br2 Cu2 N10 O2 S2 -","- C26 H28 Br2 Cu2 N10 O2 S2 -","1","0.5","FJ2511","Kunnath, Roji J.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Natarajan, Aiswarya; Aravindakshan, A. Ambili","Bis{μ-2-[bis(pyridin-2-yl)methylidene]hydrazinecarbothioamidato}bis[bromidocopper(II)] methanol disolvate","Acta Crystallographica Section E","2012","68","3","m346","m347","10.1107/S1600536812005934","","","0.71073","MoKα","","0.0393","0.0335","","","0.0891","0.0939","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233794","7.4939","0.0008","19.446","0.002","7.0227","0.0007","90","","90","","90","","1023.39","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","FJ2513","Millán Corrales, Guadalupe; Morales-Morales, David; Hernández-Ortega, Simón; Campos-Gaxiola, José J.; Cruz Enríquez, Adriana","2-(3-Aminopyridinium-1-yl)-3-carboxypropanoate monohydrate","Acta Crystallographica Section E","2012","68","3","o853","","10.1107/S1600536812006897","","","0.71073","MoKα","","0.033","0.0281","","","0.0562","0.0575","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233795","5.7883","0.0004","11.412","0.001","13.1312","0.0012","75.194","0.004","86.493","0.003","83.489","0.003","832.72","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2E)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-N- cyclohexylhydrazinecarbothioamide","","- C15 H20 Br N3 O2 S -","- C15 H20 Br N3 O2 S -","- C30 H40 Br2 N6 O4 S2 -","2","1","FJ2514","Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra","(2E)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-N-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","3","o836","o837","10.1107/S1600536812007039","","","0.71073","MoKα","","0.0418","0.0347","","","0.0929","0.098","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233796","12.7946","0.0005","3.9373","0.0001","29.8209","0.001","90","","109.219","0.003","90","","1418.54","0.09","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C68 H60 Br4 O12 -","4","1","FJ2515","Escobar, Carlos A.; Trujillo, Alexander; Howard, Judith A. K.; Fuentealba, Mauricio","(E)-1-(3-Bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o887","","10.1107/S1600536812006836","","","0.7107","MoKα","","0.0544","0.0405","","","0.0695","0.0739","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233797","10.102","0.0001","10.1106","0.0001","12.3886","0.0001","104.719","0.001","98.275","0.001","102.167","0.001","1169.94","0.02","100","1","100","","","","","","","","","4","P -1","-P 1","2","","2-[3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 4,6-bis(4-fluorophenyl)pyrimidine","","- C31 H20 F4 N4 -","- C31 H20 F4 N4 -","- C62 H40 F8 N8 -","2","1","FJ2517","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","2-[3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluorophenyl)pyrimidine","Acta Crystallographica Section E","2012","68","3","o807","o808","10.1107/S1600536812006976","","","0.71073","MoKα","","0.0614","0.0458","","","0.1205","0.1324","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233798","8.1578","0.0003","11.8183","0.0005","10.8526","0.0006","90","","103.869","0.002","90","","1015.81","0.08","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(thiourea-κS)nickel(II)","","- C2 H8 Cl2 N4 Ni S2 -","- C2 H8 Cl2 N4 Ni S2 -","- C8 H32 Cl8 N16 Ni4 S8 -","4","1","FJ2518","Zouihri, Hafid","Dichloridobis(thiourea-κS)nickel(II)","Acta Crystallographica Section E","2012","68","3","m314","","10.1107/S1600536812006174","","","0.71073","MoKα","","0.0167","0.0165","","","0.0448","0.0449","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233799","12.6362","0.0004","8.3655","0.0002","17.4913","0.0005","90","","113.128","0.004","90","","1700.37","0.1","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Amino-4-bromo-2,3-dihydro-1H-inden-1-one","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C72 H64 Br8 N8 O8 -","8","1","FJ2519","Çelik, Ísmail; Akkurt, Mehmet; Yılmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","5-Amino-4-bromo-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","3","o833","","10.1107/S1600536812007489","","","1.5418","CuKα","","0.0499","0.0491","","","0.1321","0.1335","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233800","13.0321","0.0009","6.7332","0.0004","17.3091","0.001","90","","104.479","0.003","90","","1470.6","0.16","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-tryptophan tris(p-nitrophenol)","L-Tryptophan 4-nitrophenol trisolvate","","- C29 H27 N5 O11 -","- C29 H27 N5 O11 -","- C58 H54 N10 O22 -","2","1","FK2052","Rodrigues, V. H.; Costa, M. M. R. R.; Belsley, M.; de Matos Gomes, E.","L-Tryptophan 4-nitrophenol trisolvate","Acta Crystallographica Section E","2012","68","3","o920","","10.1107/S1600536812007817","","","0.71073","MoKα","","0.0648","0.0348","","","0.0876","0.1005","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233801","12.377","0.002","13.201","0.002","17.474","0.003","87.812","0.003","89.045","0.003","64.652","0.002","2578.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-2-methoxy-6-(1-phenyl-1H-benzimidazol-2-yl)phenol","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C120 H90 Br6 N12 O12 -","6","3","FY2036","Zhao, Shunsheng; Liu, Xiangrong; Lü, Xingqiang; Feng, Weixu","4-Bromo-2-methoxy-6-(1-phenyl-1H-benzimidazol-2-yl)phenol","Acta Crystallographica Section E","2012","68","3","o852","","10.1107/S1600536812007313","","","0.71073","MoKα","","0.1413","0.0593","","","0.1345","0.1779","","","","","","0.906","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233802","14.504","0.004","9.272","0.003","8.361","0.003","90","","106.75","0.01","90","","1076.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-({[(E)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine","","- C10 H10 N4 O S -","- C10 H10 N4 O S -","- C40 H40 N16 O4 S4 -","4","1","FY2038","Yin, Weiyan; Wang, Zhi; Yang, Zi-Wen","5-({[(E)-Benzylideneamino]oxy}methyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","3","o769","","10.1107/S1600536812003893","","","0.71073","MoKα","","0.044","0.0414","","","0.1075","0.1101","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233803","6.6993","0.00014","13.8834","0.0002","7.10677","0.00009","90","","91.7805","0.0011","90","","660.675","0.019","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Hydrazinylnicotinic acid","6-Hydrazinylpyridine-3-carboxylic acid","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","FY2040","Rukiah, Mwaffak; Arfan, Atef","6-Hydrazinylnicotinic acid: a powder study","Acta Crystallographica Section E","2012","68","3","o783","o784","10.1107/S160053681200637X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.42","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233804","5.574","0.0001","10.4354","0.0002","11.3997","0.0002","83.586","0.001","77.453","0.001","87.688","0.001","643.11","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2-Oxime-3-(methylbenzene-1-sulfonohydrazide)butane","N'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide","","- C11 H15 N3 O3 S -","- C11 H15 N3 O3 S -","- C22 H30 N6 O6 S2 -","2","1","FY2042","Bulhosa, Maria C. S.; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","N'-[3-(Hydroxyimino)butan-2-ylidene]-4-methylbenzene-1-sulfonohydrazide","Acta Crystallographica Section E","2012","68","3","o592","","10.1107/S1600536812003339","","","0.71073","MoKα","","0.0404","0.0358","","","0.1073","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233805","5.2804","0.0001","6.9458","0.0002","12.4262","0.0003","81.392","0.001","82.874","0.001","85.193","0.001","446.147","0.019","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(Ammoniomethyl)pyridinium sulfate monohydrate","","- C6 H12 N2 O5 S -","- C6 H12 N2 O5 S -","- C12 H24 N4 O10 S2 -","2","1","FY2043","Schutte, M.; Visser, H. G.; Roodt, A.","2-(Ammoniomethyl)pyridinium sulfate monohydrate","Acta Crystallographica Section E","2012","68","3","o914","","10.1107/S1600536812007714","","","0.71073","MoKα","","0.0279","0.0268","","","","0.0752","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233806","4.1558","0.0001","25.779","0.0005","11.2213","0.0002","90","","96.623","0.001","90","","1194.14","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","FY2044","Zheng, Zhen Nu; Lee, Soon W.","(E)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid","Acta Crystallographica Section E","2012","68","3","o774","","10.1107/S1600536812006472","","","0.71073","MoKα","","0.0622","0.0423","","","0.1093","0.1197","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233807","17.663","0.002","6.2371","0.0006","15.2357","0.0016","90","","107.717","0.013","90","","1598.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6Z)-3,5-Bis(4-fluorophenyl)-6-(1-hydroxyethylidene)cyclohex-2-en-1-one","","- C20 H16 F2 O2 -","- C20 H16 F2 O2 -","- C80 H64 F8 O8 -","4","1","GG2071","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","(6Z)-3,5-Bis(4-fluorophenyl)-6-(1-hydroxyethylidene)cyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o638","o639","10.1107/S1600536812003078","","","1.54178","CuKα","","0.0687","0.048","","","0.1267","0.147","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233808","6.8502","0.0006","6.5705","0.0007","17.6761","0.0015","90","","98.432","0.008","90","","786.99","0.13","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","0.5","GG2074","El-Emam, Ali A.; Kadi, Adnan A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2012","68","3","o795","","10.1107/S1600536812005302","","","0.71073","MoKα","","0.0675","0.0465","","","0.1076","0.123","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233809","5.8031","0.0001","13.4281","0.0002","22.4853","0.0004","90","","93.115","0.002","90","","1749.57","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl thiophene-2-carboxylate","","- C21 H16 N2 O3 S -","- C21 H16 N2 O3 S -","- C84 H64 N8 O12 S4 -","4","1","GG2075","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl thiophene-2-carboxylate","Acta Crystallographica Section E","2012","68","3","o756","o757","10.1107/S1600536812006459","","","1.5418","CuKα","","0.0391","0.033","","","0.0857","0.0907","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233810","6.4565","0.0014","18.874","0.004","10.449","0.002","90","","90.485","0.005","90","","1273.3","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-azido-κ^2^N^1^:N^1^)[μ-1,2-bis(imidazol-1- yl)ethane-κ^2^N^3^:N^3'^]cadmium]","","- C8 H10 Cd N10 -","- C8 H10 Cd N10 -","- C32 H40 Cd4 N40 -","4","1","GK2436","Li, Hai-Yan; Sun, Peng-Peng; Li, Bao-Long","Poly[bis(μ-azido-κ^2^N^1^:N^1^)[μ-1,2-bis(imidazol-1-yl)ethane-κ^2^N^3^:N^3'^]cadmium]","Acta Crystallographica Section E","2012","68","3","m253","m254","10.1107/S1600536812004370","","","0.7107","MoKα","","0.0255","0.0227","","","0.0545","0.0559","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233811","10.4052","0.0007","53.019","0.003","10.0786","0.0006","90","","90","","90","","5560.1","0.6","118","2","118","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","1D-1-O-tert-Butyldiphenylsilyl-2,3,6-O- tris(methoxymethylene)-myo-inositol 4,5-bis(dibenzylphosphate)","tetrabenzyl (1R,2R,3S,4R,5R,6S)-4-(tert- butyldiphenylsilyloxy)-3,5,6-tris(methoxymethoxy)cyclohexane-1,2-diyl bisphosphate","","- C56 H68 O15 P2 Si -","- C56 H68 O15 P2 Si -","- C224 H272 O60 P8 Si4 -","4","1","GK2443","Anderson, Regan J.; Gainsford, Graeme J.","1D-1-O-tert-Butyldiphenylsilyl-2,3,6-O-tris(methoxymethylene)-myo-inositol 4,5-bis(dibenzylphosphate)","Acta Crystallographica Section E","2012","68","3","o900","","10.1107/S1600536812008069","","","0.71073","MoKα","","0.0791","0.0707","","","0.1754","0.1809","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233812","27.604","0.014","6.205","0.003","16.087","0.008","90","","120.309","0.006","90","","2379","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(pyridin-4-ylmethyl 1H-pyrrole-2-carboxylate-κN)zinc","","- C22 H20 Cl2 N4 O4 Zn -","- C22 H20 Cl2 N4 O4 Zn -","- C88 H80 Cl8 N16 O16 Zn4 -","4","0.5","GK2445","Li, Can; Zhang, Guilong; Yin, Zhenming","Dichloridobis(4-pyridylmethyl 1H-pyrrole-2-carboxylate-κN)zinc","Acta Crystallographica Section E","2012","68","3","m323","","10.1107/S1600536812001353","","","0.71073","MoKα","","0.0287","0.0237","","","0.0668","0.0688","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233813","14.7667","0.0008","11.989","0.0006","9.7419","0.0005","90","","127.424","0.0005","90","","1369.68","0.12","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,7-Diiodo-1,4-dioxo-1H,4H-2aλ^3^-ioda-2,3- dioxacyclopenta[cd]indene-6-carboxylic acid dihydrate","8,10-diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca- 1(11),7,9-triene-9-carboxylic acid","","- C9 H5 I3 O8 -","- C9 H5 I3 O8 -","- C36 H20 I12 O32 -","4","0.5","GK2447","Sheng, Daopeng; Han, Lu; Zhang, Yi; Yang, Yanzhao","8,10-Diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca-1(11),7,9-triene-9-carboxylic acid","Acta Crystallographica Section E","2012","68","3","o706","","10.1107/S1600536812005351","","","0.71069","MoKα","","0.0426","0.0418","","","0.0965","0.0969","","","","","","1.228","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233814","13.2616","0.0008","13.4515","0.0007","14.8338","0.0009","90","","95.067","0.002","90","","2635.8","0.3","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-7-[(2E)-But-2-enoyl]-13-chloro-N-cyclohexyl- 7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide","","- C31 H29 Cl N2 O3 -","- C31 H29 Cl N2 O3 -","- C124 H116 Cl4 N8 O12 -","4","1","GK2448","Ye, Ning; Wu, Jin-Long","rac-7-[(2E)-But-2-enoyl]-13-chloro-N-cyclohexyl-7,8-dihydro-5H-isochromeno[4,3-c]phenanthridine-8-carboxamide","Acta Crystallographica Section E","2012","68","3","o748","","10.1107/S1600536812005946","","","0.71073","MoKα","","0.1085","0.0556","","","0.1459","0.1973","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233815","9.144","0.003","11.727","0.004","9.823","0.003","90","","90","","90","","1053.3","0.6","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","poly[[μ~4~-nitrilotris(methylenephosphonic acid)(3-)]lanthanum(III)]","poly[(μ~4~-{[bis(hydrogen phosphonatomethyl)azaniumyl]methyl}phosphonato)lanthanum(III)]","","- C3 H9 La N O9 P3 -","- C3 H9 La N O9 P3 -","- C12 H36 La4 N4 O36 P12 -","4","1","GK2450","Silva, Patrícia; Fernandes, José A.; Almeida Paz, Filipe A.","Redetermination at 180K of a layered lanthanide‒organic framework","Acta Crystallographica Section E","2012","68","3","m294","m295","10.1107/S1600536812005508","","","0.71073","MoKα","","0.077","0.0468","","","0.0958","0.1087","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233816","5.4204","0.0002","11.3319","0.0004","19.8771","0.0007","90","","96.609","0.003","90","","1212.81","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","tert-Butyl 2-(1H-benzimidazol-1-yl)acetate","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","GK2453","N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","tert-Butyl 2-(1H-benzimidazol-1-yl)acetate","Acta Crystallographica Section E","2012","68","3","o571","","10.1107/S1600536812002814","","","0.71073","MoKα","","0.0426","0.0343","","","0.0724","0.0764","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233817","9.1331","0.0002","17.8838","0.0005","9.6443","0.0003","90","","118.056","0.001","90","","1390.14","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-6-Methyl-3-(2-methylbenzylidene)chroman-2-one","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","GK2454","Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(E)-6-Methyl-3-(2-methylbenzylidene)chroman-2-one","Acta Crystallographica Section E","2012","68","3","o791","","10.1107/S1600536812005624","","","0.71073","MoKα","","0.0749","0.0473","","","0.1307","0.152","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233818","10.6294","0.0006","12.2394","0.0007","14.9673","0.0011","90","","106.863","0.002","90","","1863.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-N-{4-[(5-methyl-1,2-oxazol-3- yl)sulfamoyl]phenyl}benzenesulfonamide","","- C17 H17 N3 O5 S2 -","- C17 H17 N3 O5 S2 -","- C68 H68 N12 O20 S8 -","4","1","GK2455","Sohail, Muhammad; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafique, Muhammad; Ashfaq, Muhammad","4-Methyl-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o693","","10.1107/S1600536812005260","","","0.71073","MoKα","","0.1184","0.0549","","","0.1176","0.141","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233819","21.9905","0.0003","8.1864","0.0001","26.676","0.0003","90","","90","","90","","4802.29","0.1","119.9","","119.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","","- C26 H26 Cl2 N2 O5 -","- C26 H26 Cl2 N2 O5 -","- C208 H208 Cl16 N16 O40 -","8","1","GK2457","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o805","o806","10.1107/S1600536812007052","","","1.5418","CuKα","","0.0449","0.0326","","","0.0755","0.0815","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233820","11.6017","0.0002","12.3381","0.0002","16.2825","0.0003","90","","90.503","0.001","90","","2330.64","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6- trimethylphenyl)methanone","","- C29 H25 Cl O4 -","- C29 H25 Cl O4 -","- C116 H100 Cl4 O16 -","4","1","GK2460","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","[8-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalen-1-yl](2,4,6-trimethylphenyl)methanone","Acta Crystallographica Section E","2012","68","3","o906","","10.1107/S1600536812008112","","","1.54187","CuKα","","0.0572","0.0415","","","0.1127","0.1307","","","","","","1.145","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233821","4.6983","0.0003","14.5424","0.001","5.5271","0.0004","90","","99.663","0.003","90","","372.28","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro- 1H-pyrrolizin-3-one","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C14 H22 N2 O8 -","2","1","HB6566","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2R,6R,7aS)-1,2,6-Trihydroxyhexahydro-1H-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o586","","10.1107/S1600536812002292","","","1.54178","CuKα","","0.0294","0.0294","","","0.0728","0.0729","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233822","13.108","0.003","15.65","0.003","33.967","0.007","90","","90","","90","","6968","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) P,P'-dioxide dihydrate","","- C38 H36 O6 P2 -","- C38 H36 O6 P2 -","- C304 H288 O48 P16 -","8","1","HB6568","Dai, Dongmei; Tang, Lin; Gong, Yanqing","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) P,P'-dioxide dihydrate","Acta Crystallographica Section E","2012","68","3","o804","","10.1107/S1600536812005314","","","1.54178","CuKα","","0.0618","0.0438","","","0.1169","0.1302","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233823","11.9274","0.0011","5.3995","0.0005","14.8194","0.0014","90","","111.692","0.001","90","","886.81","0.14","295","","295","","","","","","","","","5","C 1 2 1","C 2y","5","","catena-Poly[(diaquacadmium)- μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato- κ^4^O,O':O'',O''']","","- C16 H16 Cd O10 S -","- C16 H16 Cd O10 S -","- C32 H32 Cd2 O20 S2 -","2","0.5","HB6572","Ma, Zhan-Ling","catena-Poly[(diaquacadmium)-μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato-κ^4^O,O':O'',O''']","Acta Crystallographica Section E","2012","68","3","m267","","10.1107/S160053681200445X","","","0.71073","MoKα","","0.0207","0.0199","","","0.0436","0.0439","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233824","9.855","0.002","11.773","0.002","21.803","0.004","80.18","0.03","78.23","0.03","75.27","0.03","2376.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Benzene-1,2,4,5-tetracarboxylato- κ^4^O^1^,O^2^:O^4^,O^5^- bis[diaqua(phenanthroline-κ^2^N,N')nickel(II)] 0.67-hydrate","","- C34 H27.332 N4 Ni2 O12.67 -","- C34 H27.3333 N4 Ni2 O12.6667 -","- C102 H82 N12 Ni6 O38 -","3","1.5","HB6579","Zhuang, Changfu; Li, Ning; Yu, Xiao-yang","μ-Benzene-1,2,4,5-tetracarboxylato-κ^4^O^1^,O^2^:O^4^,O^5^-bis[diaqua(phenanthroline-κ^2^N,N')nickel(II)] 0.67-hydrate","Acta Crystallographica Section E","2012","68","3","m268","m269","10.1107/S1600536812004618","","","0.71073","MoKα","","0.077","0.0487","","","0.1295","0.1496","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233825","15.619","0.003","11.374","0.002","12.956","0.003","90","","90","","90","","2301.6","0.8","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","4-Chloroanilinium tetrafluoroborate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C18 H31 B Cl F4 N O6 -","- C18 H31 B Cl F4 N O6 -","- C72 H124 B4 Cl4 F16 N4 O24 -","4","0.5","HB6580","Xu, Jie; Zhao, Min-Min","4-Chloroanilinium tetrafluoroborate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","3","o738","","10.1107/S1600536812006216","","","0.71073","MoKα","","0.1427","0.0683","","","0.1435","0.1757","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233826","7.4034","0.0005","23.819","0.0015","7.6362","0.0005","90","","96.382","0.001","90","","1338.23","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C56 H40 Cl8 N8 O8 -","4","1","HB6586","Yin, Weiyan; Wang, Zhi; Liang, Ying; Yang, Zi-Wen","(E)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate","Acta Crystallographica Section E","2012","68","3","o770","","10.1107/S1600536812003844","","","0.71073","MoKα","","0.0299","0.028","","","0.0828","0.084","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233827","15.6999","0.0002","18.8817","0.0002","15.0267","0.0002","90","","90","","90","","4454.53","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin","(3R,4S,5S,6R,7R,9R, 11S,12R,13S,14S)- 6-{[(2S,3R,4S,6R)-4-dimethylamino- 3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy- 4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H71 N O14 -","- C38 H71 N O14 -","- C152 H284 N4 O56 -","4","1","HB6588","Noguchi, Shuji; Fujiki, Sadahiro; Iwao, Yasunori; Miura, Keiko; Itai, Shigeru","Clarithromycin monohydrate: a synchrotron X-ray powder study","Acta Crystallographica Section E","2012","68","3","o667","o668","10.1107/S1600536812005090","powder diffraction","","1.3","synchrotron","","0.07572","","","","","","","","3.3196","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233828","5.8043","0.0002","8.1292","0.0003","35.9657","0.0012","90","","92.326","0.002","90","","1695.62","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[chlorido(thiourea-κS)copper(I)]-μ-thiourea- κ^2^S:S]","","- C2 H8 Cl Cu N4 S2 -","- C2 H8 Cl Cu N4 S2 -","- C16 H64 Cl8 Cu8 N32 S16 -","8","2","HB6598","Zouihri, Hafid","Redetermination of catena-poly[[chlorido(thiourea-κS)copper(I)]-μ-thiourea-κ^2^S:S] at 100K","Acta Crystallographica Section E","2012","68","3","m260","m261","10.1107/S1600536812004448","","","0.71073","MoKα","","0.0566","0.0432","","","0.0784","0.0809","","","","","","1.145","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233829","10.7354","0.0011","17.1525","0.0016","8.6471","0.0008","90","","102.981","0.002","90","","1551.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1H)-one","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","HB6602","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chantrapromma, Kan; Fun, Hoong-Kun","2-(2,4,5-Trimethoxyphenyl)-2,3-dihydroquinolin-4(1H)-one","Acta Crystallographica Section E","2012","68","3","o664","o665","10.1107/S1600536812002917","","","0.71073","MoKα","","0.119","0.0629","","","0.1275","0.1557","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233830","9.7093","0.0007","35.796","0.003","8.034","0.0006","90","","118.23","0.001","90","","2460.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","","- C26 H28 Br2 N4 -","- C26 H28 Br2 N4 -","- C104 H112 Br8 N16 -","4","1","HB6611","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Budagumpi, Srinivasa; Hemamalini, Madhukar; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide","Acta Crystallographica Section E","2012","68","3","o573","","10.1107/S1600536812002802","","","0.71073","MoKα","","0.0511","0.0331","","","0.0743","0.0804","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233831","5.9894","0.0001","10.6483","0.0001","19.6676","0.0002","90","","96.324","0.001","90","","1246.71","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Di-tert-butyl (2R,3R)-2-{[(2E)-3-(4-acetyloxy- 3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","","- C24 H32 O10 -","- C24 H32 O10 -","- C48 H64 O20 -","2","1","HB6612","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","Di-tert-butyl (2R,3R)-2-{[(2E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","3","o568","o569","10.1107/S1600536812002784","","","1.54184","CuKα","","0.0568","0.0565","","","0.159","0.1593","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233832","11.6988","0.0003","15.4972","0.0003","12.2246","0.0003","90","","105.714","0.003","90","","2133.47","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dimethyl sulfoxide-κO)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κO)hydrazinylidene-κN^2^]methyl}iminomethyl)phenolato-κO]dioxidouranium(VI)","","- C19 H21 N3 O5 S2 U -","- C19 H21 N3 O5 S2 U -","- C76 H84 N12 O20 S8 U4 -","4","1","HB6614","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","(Dimethyl sulfoxide-κO)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κO)hydrazinylidene-κN^2^]methyl}iminomethyl)phenolato-κO]dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m244","m245","10.1107/S1600536812003789","","","0.71073","MoKα","","0.0386","0.0295","","","0.0592","0.0633","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","211394","2020-10-21","18:00:00",""
"2233833","10.423","0.002","10.903","0.002","12.824","0.003","74.29","0.03","73.56","0.03","71.59","0.03","1299.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}- 3-(4-ethoxyphenyl)prop-2-en-1-one","","- C28 H28 Br2 N2 O2 -","- C28 H28 Br2 N2 O2 -","- C56 H56 Br4 N4 O4 -","2","1","HB6615","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o604","","10.1107/S1600536812003819","","","0.71073","MoKα","","0.1548","0.0675","","","0.1322","0.1565","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233834","10.05","0.002","11.622","0.002","21.259","0.004","90","","101.72","0.03","90","","2431.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}- 3-(4-methylphenyl)prop-2-en-1-one","","- C27 H26 Br2 N2 O -","- C27 H26 Br2 N2 O -","- C108 H104 Br8 N8 O4 -","4","1","HB6616","Zhong, Yan; Zhang, XiaoPing; Wu, Bin","(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o605","","10.1107/S1600536812003820","","","0.71073","MoKα","","0.1769","0.0747","","","0.1248","0.1552","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233835","11.3803","0.0002","14.3999","0.0003","14.0264","0.0004","90","","97.326","0.002","90","","2279.81","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Butan-2-ol-κO)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene- κO)hydrazinylidene-κN^2^]methyl}iminomethyl)phenolato- κO]dioxidouranium(VI)","","- C21 H25 N3 O5 S U -","- C20.998 H25 N2.998 O5 S U -","- C83.992 H100 N11.992 O20 S4 U4 -","4","1","HB6617","Takjoo, Reza; Najafi, Atefeh; Ng, Seik Weng; Tiekink, Edward R. T.","(Butan-2-ol-κO)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κO)hydrazinylidene-κN^2^]methyl}iminomethyl)phenolato-κO]dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m255","m256","10.1107/S160053681200431X","","","0.71073","MoKα","","0.0511","0.0383","","","0.0738","0.0776","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233836","7.1837","0.0002","8.5847","0.0003","17.9814","0.0004","87.605","0.001","89.713","0.002","87.174","0.001","1106.59","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Hydroxy-2-methyl-1,1-dioxo-2H-1λ^6^,2- benzothiazine-3-carboxylic acid hemihydrate","","- C10 H10 N O5.5 S -","- C10 H10 N O5.5 S -","- C40 H40 N4 O22 S4 -","4","2","HB6618","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","4-Hydroxy-2-methyl-1,1-dioxo-2H-1λ^6^,2- benzothiazine-3-carboxylic acid hemihydrate","Acta Crystallographica Section E","2012","68","3","o621","o622","10.1107/S1600536812004291","","","0.71073","MoKα","","0.05","0.0377","","","0.0904","0.0968","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233837","8.099","0.0001","14.0513","0.0002","9.9771","0.0002","90","","93.058","0.001","90","","1133.79","0.03","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","HB6619","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Almutairi, Maha S.; Ghoneim, Soraya W.","(E)-N-[3-(Imidazol-1-yl)-1-phenylpropylidene]hydroxylamine","Acta Crystallographica Section E","2012","68","3","o627","","10.1107/S1600536812004266","","","0.71073","MoKα","","0.0838","0.0648","","","0.1303","0.138","","","","","","1.134","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233838","9.0352","0.0005","11.8521","0.0007","10.3462","0.0006","90","","109.688","0.001","90","","1043.17","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(1H-Imidazol-1-yl)-1-phenylpropan-1-ol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","HB6620","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.","3-(1H-Imidazol-1-yl)-1-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","3","o628","","10.1107/S1600536812004254","","","0.71073","MoKα","","0.0503","0.0428","","","0.1192","0.1254","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233839","6.5305","0.0001","6.6798","0.0001","13.7264","0.0002","90","","96.676","0.001","90","","594.719","0.015","100","1","100","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C28 H32 O6 -","2","0.5","HB6621","Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; El-Behairy, Mohammed F.; Al-Deeb, Omar A.","(E)-1-(1,3-Benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one","Acta Crystallographica Section E","2012","68","3","o634","","10.1107/S1600536812004242","","","0.71073","MoKα","","0.0401","0.037","","","0.1068","0.1103","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233840","5.8875","0.0003","7.4926","0.0003","13.6022","0.0006","80.351","0.001","85.483","0.001","83.545","0.001","586.69","0.05","100","1","100","","","","","","","","","5","P -1","-P 1","2","","(E)-3-(4-Chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 Cl F O -","- C15 H10 Cl F O -","- C30 H20 Cl2 F2 O2 -","2","1","HB6622","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(E)-3-(4-Chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o629","","10.1107/S1600536812004230","","","0.71073","MoKα","","0.0358","0.0319","","","0.0827","0.0861","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233841","12.188","0.002","12.589","0.003","17.102","0.003","76.52","0.03","84.1","0.03","89.95","0.03","2537.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(1,3-Benzodioxol-5-yl)-1-{4-[bis(4- methoxyphenyl)methyl]piperazin-1-yl}prop-2-en-1-one","","- C29 H30 N2 O5 -","- C29 H30 N2 O5 -","- C116 H120 N8 O20 -","4","2","HB6623","Zhong, Yan; Wu, Bin","(E)-3-(1,3-Benzodioxol-5-yl)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o636","","10.1107/S1600536812004345","","","0.71073","MoKα","","0.1173","0.0681","","","0.1699","0.1928","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233842","10.541","0.002","14.402","0.003","14.641","0.006","90","","114.38","0.02","90","","2024.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisopropylammonium) tetrachloridocuprate(II)","","- C12 H32 Cl4 Cu N2 -","- C12 H32 Cl4 Cu N2 -","- C48 H128 Cl16 Cu4 N8 -","4","1","HB6624","Xu, Jie","Bis(diisopropylammonium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2012","68","3","m285","","10.1107/S1600536812004928","","","0.71073","MoKα","","0.0447","0.0352","","","0.0774","0.081","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233843","9.4961","0.0019","11.783","0.002","11.852","0.002","97.86","0.03","90.39","0.03","105.26","0.03","1266.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-Trichloroanilinium perchlorate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C18 H29 Cl4 N O10 -","- C18 H29 Cl4 N O10 -","- C36 H58 Cl8 N2 O20 -","2","1","HB6625","Xu, Jie","2,4,5-Trichloroanilinium perchlorate 18-crown-6 clathrate","Acta Crystallographica Section E","2012","68","3","o739","","10.1107/S1600536812006162","","","0.71073","MoKα","","0.0737","0.054","","","0.1411","0.1518","","","","","","1.027","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2233844","13.5833","0.0017","8.6483","0.0006","13.6973","0.0014","90","","115.938","0.014","90","","1447","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-4-(prop-2-en-1-yl)-1H-1,2,4-triazole- 5(4H)-thione","","- C15 H21 N3 S -","- C15 H21 N3 S -","- C60 H84 N12 S4 -","4","1","HB6626","Almutairi, Maha S.; Al-Shehri, Mona M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-(prop-2-en-1-yl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","3","o656","","10.1107/S1600536812005065","","","0.71073","MoKα","","0.0916","0.0806","","","0.2226","0.2303","","","","","","1.171","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233845","11.4795","0.0002","14.645","0.0003","14.3383","0.0006","90","","98.094","0.003","90","","2386.5","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κO)amino- κN]methylidene}hydrazinylidene-κN^1^)methyl]phenolato- κO}(butan-2-ol-κO)dioxidouranium(VI)","","- C21 H24 Br N3 O5 S U -","- C21 H24 Br N3 O5 S U -","- C84 H96 Br4 N12 O20 S4 U4 -","4","1","HB6627","Takjoo, Reza; Ahmadi, Mehdi; Ng, Seik Weng; Tiekink, Edward R. T.","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κO)amino-κN]methylidene}hydrazinylidene-κN^1^)methyl]phenolato-κO}(butan-2-ol-κO)dioxidouranium(VI)","Acta Crystallographica Section E","2012","68","3","m279","m280","10.1107/S1600536812005077","","","0.71073","MoKα","","0.071","0.0517","","","0.0965","0.1023","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233846","13.419","0.0006","6.9043","0.0002","19.0498","0.0009","90","","102.243","0.002","90","","1724.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-(4-Methyl-4H-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide","","- C15 H15 N5 O4 S2 -","- C15 H15 N5 O4 S2 -","- C60 H60 N20 O16 S8 -","4","1","HB6629","Akhtar, Tasleem; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,2'-(4-Methyl-4H-1,2,4-triazole-3,5-diyl)dibenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o754","","10.1107/S1600536812006113","","","0.71073","MoKα","","0.1043","0.059","","","0.137","0.1582","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233847","18.2485","0.0005","8.8043","0.0002","18.6913","0.0005","90","","90","","90","","3003.04","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3- ylidene)thiosemicarbazide","","- C15 H10 F N5 O3 S -","- C15 H10 F N5 O3 S -","- C120 H80 F8 N40 O24 S8 -","8","1","HB6630","Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Tahir, M. Nawaz","(Z)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","3","o670","","10.1107/S1600536812005053","","","0.71073","MoKα","","0.0466","0.0373","","","0.0921","0.1018","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233848","15.1177","0.001","3.9322","0.0003","20.7072","0.0013","90","","94.615","0.006","90","","1226.97","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(4-Methoxybenzylidene)-2,3-dihydro-1H-inden-1-one","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB6631","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-(4-Methoxybenzylidene)-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","3","o815","","10.1107/S1600536812006940","","","0.71073","MoKα","","0.0692","0.0485","","","0.1104","0.126","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233849","9.41","0.003","23.079","0.003","16.807","0.002","90","","100.226","0.002","90","","3592.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{2-[(4-Chlorobenzylidene)amino]phenyl}-3-phenylthiourea","","- C20 H16 Cl N3 S -","- C20 H16 Cl N3 S -","- C160 H128 Cl8 N24 S8 -","8","2","HB6632","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","1-{2-[(4-Chlorobenzylidene)amino]phenyl}-3-phenylthiourea","Acta Crystallographica Section E","2012","68","3","o767","","10.1107/S1600536812006228","","","0.71073","MoKα","","0.0975","0.0489","","","0.0947","0.1172","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233850","5.7031","0.0016","17.02","0.005","28.084","0.008","90","","90","","90","","2726","1.4","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2H- pyrano[3,2-d][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","","- C28 H30 O10 S2 -","- C28 H30 O10 S2 -","- C112 H120 O40 S8 -","4","1","HB6633","Wardell, James L.; Tiekink, Edward R. T.","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2H-pyrano[3,2-d][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","Acta Crystallographica Section E","2012","68","3","o758","","10.1107/S1600536812006186","","","0.71073","MoKα","","0.1005","0.082","","","0.1398","0.1469","","","","","","1.179","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233851","11.0587","0.0003","14.4794","0.0003","13.1357","0.0003","90","","102.804","0.002","90","","2051.03","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-bromobenzene-1-sulfonate","","- C22 H17 Br N2 O4 S -","- C22 H17 Br N2 O4 S -","- C88 H68 Br4 N8 O16 S4 -","4","1","HB6634","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-bromobenzene-1-sulfonate","Acta Crystallographica Section E","2012","68","3","o759","o760","10.1107/S1600536812006198","","","1.5418","CuKα","","0.0373","0.0352","","","0.0965","0.0984","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233852","20.3847","0.0004","7.4352","0.0001","12.7829","0.0003","90","","107.489","0.002","90","","1847.87","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","HB6635","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate","Acta Crystallographica Section E","2012","68","3","o732","o733","10.1107/S1600536812006253","","","1.5418","CuKα","","0.0535","0.0492","","","0.1284","0.1318","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233853","18.8216","0.0005","7.6332","0.0002","13.3092","0.0003","90","","97.286","0.002","90","","1896.68","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","HB6636","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate","Acta Crystallographica Section E","2012","68","3","o734","o735","10.1107/S1600536812006265","","","1.5418","CuKα","","0.0727","0.0673","","","0.1798","0.1857","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233854","6.1008","0.0003","6.1008","0.0003","53.79","0.002","90","","90","","90","","2002.05","0.16","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","","- C19 H34 N2 S -","- C19 H34 N2 S -","- C76 H136 N8 S4 -","4","0.5","HB6637","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Ziauddin","1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","3","o743","","10.1107/S1600536812006150","","","0.71073","MoKα","","0.1198","0.0595","","","0.1494","0.1758","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233855","11.785","0.002","12.716","0.003","13.288","0.003","90","","90","","90","","1991.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diisopropylammonium thiocyanate","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C56 H128 N16 S8 -","8","1","HB6639","Xu, Jie","Diisopropylammonium thiocyanate","Acta Crystallographica Section E","2012","68","3","o894","","10.1107/S1600536812007349","","","0.71073","MoKα","","0.0576","0.045","","","0.1007","0.1068","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233856","21.82","0.05","10.08","0.02","12.28","0.03","90","","110.53","0.03","90","","2529","10","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-Hydroxyethyl)-5-(4-methoxyphenyl)-4H-pyrazole-3-carboxamide","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","1","HB6641","Han, Guangqian; Lv, Jiaguo; Zhu, Ju; Zhou, Youjun; Wu, Defeng","N-(2-Hydroxyethyl)-5-(4-methoxyphenyl)-4H-pyrazole-3-carboxamide","Acta Crystallographica Section E","2012","68","3","o901","","10.1107/S1600536812007829","","","0.71073","MoKα","","0.0664","0.054","","","0.1462","0.1563","","","","","","1.053","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2233857","14.4614","0.0005","16.5383","0.0004","12.9968","0.0004","90","","119.072","0.004","90","","2716.78","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-3-(2-methylphenyl)-7-nitroquinazolin-4(3H)-one","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","1","HB6642","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-7-nitroquinazolin-4(3H)-one","Acta Crystallographica Section E","2012","68","3","o863","","10.1107/S1600536812007350","","","1.54184","CuKα","","0.0384","0.0354","","","0.0964","0.099","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233858","18.2611","0.0003","7.6266","0.0001","13.2148","0.0002","90","","91.094","0.002","90","","1840.09","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Benzyloxy-2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","HB6643","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","8-Benzyloxy-2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one","Acta Crystallographica Section E","2012","68","3","o864","o865","10.1107/S1600536812007362","","","1.54184","CuKα","","0.0497","0.0476","","","0.1197","0.1214","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233859","11.241","0.002","12.59","0.003","9.645","0.0019","90","","100.6","0.03","90","","1341.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-N-(4-chlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C52 H32 Cl12 N4 O4 -","4","1","HB6644","Zhu, Jing; Li, Ming; Wei, Hong-xia; Wang, Jian-qiang; Guo, Cheng","2,6-Dichloro-N-(4-chlorophenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o843","","10.1107/S1600536812007556","","","0.71073","MoKα","","0.1074","0.0565","","","0.1488","0.1809","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233860","6.877","0.001","17.383","0.003","20.033","0.003","90","","90","","90","","2394.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κO)diaqua[2-(1H-benzotriazol-1-yl)acetato- κO](1,10-phenanthroline-κ^2^N,N') manganese(II) dihydrate","","- C22 H25 Mn N5 O8 -","- C22 H25 Mn N5 O8 -","- C88 H100 Mn4 N20 O32 -","4","1","HB6645","Zeng, Ling","(Acetato-κO)diaqua[2-(1H-benzotriazol-1-yl)acetato-κO](1,10-phenanthroline-κ^2^N,N')manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","3","m329","","10.1107/S1600536812007404","","","0.71073","MoKα","","0.0306","0.0266","","","0.0636","0.0659","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233861","10.1524","0.0009","23.8858","0.0017","5.0922","0.0004","90","","90","","90","","1234.85","0.17","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dibenzylazanium chloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","0.5","HG5170","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","Dibenzylazanium chloride","Acta Crystallographica Section E","2012","68","3","o577","","10.1107/S1600536812003777","","","0.71073","MoKα","","0.072","0.0486","","","0.1116","0.1246","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233862","9.9767","0.0003","11.1639","0.0003","16.2755","0.0005","90","","90","","90","","1812.75","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichlorido{1-[N-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2- olato-κ^3^O,N,O'}(methanol-κO)tin(IV)","","- C18 H14 Cl3 N O3 Sn -","- C18 H14 Cl3 N O3 Sn -","- C72 H56 Cl12 N4 O12 Sn4 -","4","1","HG5171","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Dichlorido{1-[N-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2-olato-κ^3^O,N,O'}(methanol-κO)tin(IV)","Acta Crystallographica Section E","2012","68","3","m246","m247","10.1107/S160053681200390X","","","0.71073","MoKα","","0.0329","0.0297","","","0.057","0.0592","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233863","5.6543","0.0004","13.5163","0.0009","19.9498","0.0017","90","","90","","90","","1524.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Diphenoxybenzene-1,2-dicarbonitrile","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","1","HG5172","Foo, Chuan Ching; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4,5-Diphenoxybenzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o601","","10.1107/S1600536812004060","","","0.71073","MoKα","","0.08","0.0538","","","0.1074","0.1176","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233864","25.8985","0.0006","7.0479","0.0002","11.1811","0.0002","90","","98.527","0.002","90","","2018.33","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-(2-Methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5- carbonitrile","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C72 H88 N24 O8 S8 -","8","1","HG5174","Al-Deeb, Omar A.; El-Emam, Ali A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-(2-Methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","3","o676","o677","10.1107/S1600536812005119","","","1.54184","CuKα","","0.0311","0.0297","","","0.0841","0.0857","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233865","16.1006","0.0006","14.2182","0.0005","11.4641","0.0004","90","","92.44","0.004","90","","2622","0.16","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4- hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione","","- C26 H36 N6 O S -","- C26 H36 N6 O S -","- C104 H144 N24 O4 S4 -","4","1","HG5175","El-Emam, Ali A.; Alrashood, Khalid A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","3","o657","o658","10.1107/S1600536812005107","","","0.71073","MoKα","","0.0471","0.039","","","0.0935","0.1002","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233866","18.637","0.0013","11.6257","0.0005","7.474","0.0003","90","","90","","90","","1619.38","0.15","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Iodo-4-methoxy-2-nitrobenzene","","- C7 H6 I N O3 -","- C7 H6 I N O3 -","- C56 H48 I8 N8 O24 -","8","1","HG5176","Wardell, James L.; Tiekink, Edward R. T.","1-Iodo-4-methoxy-2-nitrobenzene","Acta Crystallographica Section E","2012","68","3","o761","","10.1107/S1600536812006484","","","0.71073","MoKα","","0.0166","0.0139","","","0.0374","0.0386","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233867","7.8121","0.0005","10.0137","0.0008","12.6003","0.0009","97.95","0.006","104.632","0.006","98.394","0.006","927.58","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-{(4Z)-4-[(2Z)-3-(4-Fluoroanilino)-1-hydroxybut-2-en-1-ylidene]- 3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide","","- C20 H19 F N4 O4 S -","- C20 H19 F N4 O4 S -","- C40 H38 F2 N8 O8 S2 -","2","1","HG5177","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{(4Z)-4-[(2Z)-3-(4-Fluoroanilino)-1-hydroxybut-2-en-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o762","o763","10.1107/S1600536812006502","","","0.71073","MoKα","","0.0967","0.0589","","","0.1218","0.1459","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233868","8.3871","0.0007","11.1368","0.0009","18.4772","0.0016","90","","101.317","0.008","90","","1692.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z)-3-(4-Fluoroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H- pyrazol-4-yl)but-2-en-1-one","","- C20 H18 F N3 O2 -","- C20 H18 F N3 O2 -","- C80 H72 F4 N12 O8 -","4","1","HG5178","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2Z)-3-(4-Fluoroanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o764","","10.1107/S1600536812006514","","","0.71073","MoKα","","0.0961","0.0549","","","0.099","0.1233","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233869","14.9041","0.0008","6.9222","0.0004","17.1921","0.0008","90","","96.19","0.005","90","","1763.35","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)- 3-(4-methylanilino)but-2-en-1-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","HG5179","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Ng, Seik Weng; Tiekink, Edward R. T.","(2Z)-1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(4-methylanilino)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o794","","10.1107/S1600536812006526","","","0.71073","MoKα","","0.1134","0.06","","","0.1316","0.1636","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233870","13.0338","0.0005","10.8079","0.0002","14.0431","0.0005","90","","92.031","0.001","90","","1976.98","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","2","HG5180","Naicker, Tricia; Chelopo, Madichaba; Govender, Thavendran; Kruger, Hendrick G.; Maguire, Glenn E. M.","(S)-Benzyl 3-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","3","o883","","10.1107/S1600536812007969","","","0.71073","MoKα","","0.047","0.0393","","","0.0917","0.095","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233871","8.633","0.002","8.763","0.003","9.559","0.003","91.715","0.007","108.11","0.008","100.572","0.007","672.7","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(Morpholin-4-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","","- C15 H13 N5 O -","- C15 H13 N5 O -","- C30 H26 N10 O2 -","2","1","HG5182","Horton, Peter N.; Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Akkurt, Mehmet","2-(Morpholin-4-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o885","o886","10.1107/S160053681200815X","","","0.71073","MoKα","","0.1119","0.0746","","","0.1903","0.2245","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233872","9.6111","0.0001","21.9632","0.0002","12.6954","0.0001","90","","103.936","0.001","90","","2601","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(9,9-Dipropyl-9H-fluoren-2-yl)-7-(piperidin-1-yl)- 2,1,3-benzothiadiazol-4-amine","","- C30 H34 N4 S -","- C30 H34 N4 S -","- C120 H136 N16 S4 -","4","1","HG5183","Bolisetty, M. N. K. Prasad; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","N-(9,9-Dipropyl-9H-fluoren-2-yl)-7-(piperidin-1-yl)-2,1,3-benzothiadiazol-4-amine","Acta Crystallographica Section E","2012","68","3","o911","o912","10.1107/S1600536812008239","","","1.54184","CuKα","","0.0416","0.038","","","0.1028","0.1062","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233873","5.607","0.0011","9.811","0.002","11.679","0.002","67.44","0.03","81.93","0.03","84.28","0.03","586.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(dimethylformamide-κO)cadmium]-bis(μ-4- nitrophenylcyanamido-κ^2^N^1^:N^3^)]","","- C20 H22 Cd N8 O6 -","- C20 H22 Cd N8 O6 -","- C20 H22 Cd N8 O6 -","1","0.5","HY2496","Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz","catena-Poly[[bis(dimethylformamide-κO)cadmium]-bis(μ-4-nitrophenylcyanamido-κ^2^N^1^:N^3^)]","Acta Crystallographica Section E","2012","68","3","m232","","10.1107/S1600536812001924","","","0.71073","MoKα","","0.0465","0.0442","","","0.112","0.1138","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233874","11.078","0.002","26.021","0.005","12.155","0.002","90","","106.09","0.03","90","","3366.6","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^O,O')bis[2-(5-methyl-3-phenylpyrazin- 2-yl-κN^1^)phenyl-κC^1^]iridium(III)","","- C39 H33 Ir N4 O2 -","- C39 H33 Ir N4 O2 -","- C156 H132 Ir4 N16 O8 -","4","1","HY2507","Ge, Guo-Ping; Li, Chun-Yan; Gu, Cheng-Hao; Li, Mao-He; Xu, Xiao-Nan","(Acetylacetonato-κ^2^O,O')bis[2-(5-methyl-3-phenylpyrazin-2-yl-κN^1^)phenyl-κC^1^]iridium(III)","Acta Crystallographica Section E","2012","68","3","m306","","10.1107/S1600536812006022","","","0.71073","MoKα","","0.0454","0.0311","","","0.0586","0.0615","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233875","9.2108","0.0018","9.7453","0.0019","11.354","0.002","103.01","0.03","104.59","0.03","105.09","0.03","905","0.4","200","2","200","2","","","","","","","","6","P 1","P 1","1","","(+)-Chlorido[(1,2,3,4-η;κP^2'^)-2'-diphenylphosphanyl-2- diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","- C45 H36 Cl O2 P2 Rh -","1","1","HY2508","Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef","(+)-Chlorido[(1,2,3,4-η;κP^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate","Acta Crystallographica Section E","2012","68","3","m259","","10.1107/S1600536812003418","","","0.71073","MoKα","","0.0305","0.0266","","","0.0428","0.0432","","","","","","0.955","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233876","10.9026","0.0003","11.5495","0.0003","12.489","0.0003","92.552","0.001","113.853","0.001","117.838","0.001","1217.74","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(N,N,N',N'-Tetramethylethylenediamine- κN)bis(2,4,6-trimethylphenolato-κO)germanium(II)","","- C24 H38 Ge N2 O2 -","- C24 H38 Ge N2 O2 -","- C48 H76 Ge2 N4 O4 -","2","1","HY2510","Brusylovets, Oleksii; Yrushnikov, Oleg; Naumova, Dina; Klishin, Nikolai; Rusanov, Eduard","(N,N,N',N'-Tetramethylethylenediamine-κN)bis(2,4,6-trimethylphenolato-κO)germanium(II)","Acta Crystallographica Section E","2012","68","3","m296","","10.1107/S160053681200503X","","","0.71073","MoKα","","0.0368","0.0295","","","0.0782","0.0819","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233877","12.9573","0.0013","10.5506","0.0011","18.9241","0.0018","90","","108.961","0.001","90","","2446.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(isoquinoline-κN)(triphenylphospane- κP)copper(I)]-μ-thiocyanato-κ^2^N:S]","","- C28 H22 Cu N2 P S -","- C28 H22 Cu N2 P S -","- C112 H88 Cu4 N8 P4 S4 -","4","1","HY2511","Li, Jian-Bao; Zhou, Li-Li; Wu, Man-Hua; Jin, Qiong-Hua; Zhang, Cun-Lin","catena-Poly[[(isoquinoline-κN)(triphenylphospane-κP)copper(I)]-μ-thiocyanato-κ^2^N:S]","Acta Crystallographica Section E","2012","68","3","m283","m284","10.1107/S1600536812004837","","","0.71073","MoKα","","0.0865","0.041","","","0.084","0.1084","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233878","14.962","0.003","13.416","0.003","10.347","0.002","90","","90","","90","","2077","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Triaquachlorido(18-crown-6)barium chloride","","- C12 H30 Ba Cl2 O9 -","- C12 H30 Ba Cl2 O9 -","- C48 H120 Ba4 Cl8 O36 -","4","0.5","HY2512","Zhao, Min-Min","Triaquachlorido(18-crown-6)barium chloride","Acta Crystallographica Section E","2012","68","3","m286","","10.1107/S1600536812004990","","","0.71073","MoKα","","0.0293","0.0257","","","0.046","0.0468","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233879","7.474","0.004","10.214","0.005","12.641","0.007","80.333","0.006","72.974","0.005","80.17","0.005","902","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[[aqua(1H-imidazol[4,5-f][1,10]phenanthroline- κ^2^N^6^,N^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)- κ^3^N,O^2^:O^3^;κ^3^O^3^:N,O^2^]","","- C40 H26 Cd2 N10 O10 -","- C40 H26 Cd2 N10 O10 -","- C40 H26 Cd2 N10 O10 -","1","0.5","HY2513","Chen, Li-Juan; Yang, Ming-Xing; Huang, Hua; Chen, Xiao-Hua; Lin, Shen","Bis[[aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ^2^N^6^,N^7^)cadmium]bis(μ-pyridine-2,3-dicarboxylato)-κ^3^N,O^2^:O^3^;κ^3^O^3^:N,O^2^]","Acta Crystallographica Section E","2012","68","3","m301","","10.1107/S160053681200579X","","","0.71073","MoKα","","0.0353","0.0318","","","0.0815","0.0844","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233880","16.987","0.004","11.606","0.003","14.487","0.004","90","","118.492","0.003","90","","2510.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene- κN^6^)copper(I)","","- C28 H24 Cl Cu N8 -","- C28 H24 Cl Cu N8 -","- C112 H96 Cl4 Cu4 N32 -","4","0.5","HY2514","Chen, Xing-Shun; Zhang, Jing-Jing; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Chloridobis(1,2,3,4-tetrahydro-1,4,6,11-tetraazanaphthacene-κN^6^)copper(I)","Acta Crystallographica Section E","2012","68","3","m297","","10.1107/S1600536812005582","","","0.71073","MoKα","","0.0428","0.0364","","","0.0991","0.105","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233881","11.654","0.007","20.013","0.012","14.329","0.012","90","","106.148","0.007","90","","3210","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1H-benzimidazole-κN^3^)bis[2-(naphthalen-1-yl)acetato- κ^2^O,O']manganese(II) monohydrate","","- C38 H32 Mn N4 O5 -","- C38 H30 Mn N4 O4 -","- C152 H120 Mn4 N16 O16 -","4","0.5","HY2515","Zhang, Zhen-Ming; Yin, Fu-Jun; Li, Shu-An; Wang, Li-Ping","Bis(1H-benzimidazole-κN^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^O,O']manganese(II) monohydrate","Acta Crystallographica Section E","2012","68","3","m328","","10.1107/S1600536812007441","","","0.71073","MoKα","","0.0781","0.044","","","0.0803","0.0896","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233882","11.453","0.002","8.4896","0.0017","12.337","0.003","90","","107.12","0.03","90","","1146.4","0.5","290","2","290","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","(2,2'-Bipyridine-κ^2^N,N')bis(4-chlorobenzoato- κO)zinc(II)","","- C24 H16 Cl2 N2 O4 Zn -","- C24 H16 Cl2 N2 O4 Zn -","- C48 H32 Cl4 N4 O8 Zn2 -","2","0.5","HY2516","Zhang, Bi-Song; Zhu, Hong-Line; Li, Jun; Dai, Dong-Dong; Peng, Yi-Bao","(2,2'-Bipyridine-κ^2^N,N')bis(4-chlorobenzoato-κO)zinc","Acta Crystallographica Section E","2012","68","3","m321","m322","10.1107/S160053681200699X","","","0.71073","MoKα","","0.0609","0.0411","","","0.0914","0.1214","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233883","11.184","0.002","10.354","0.002","15.426","0.003","90","","102.19","0.03","90","","1746","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-propan-2-olato-κ^2^O:O)bis[chlorido(propan-2-ol- κO)bis(propan-2-olato-κO)tin(IV)]","","- C24 H58 Cl2 O8 Sn2 -","- C24 H58 Cl2 O8 Sn2 -","- C48 H116 Cl4 O16 Sn4 -","2","0.5","HY2517","Klishin, Nikolai; Brusylovets, Oleksii; Brusilovets, Anatoliy; Rusanov, Eduard","Bis(μ-propan-2-olato-κ^2^O:O)bis[chlorido(propan-2-ol-κO)bis(propan-1-olato-κO)tin(IV)]","Acta Crystallographica Section E","2012","68","3","m337","m338","10.1107/S1600536812007799","","","0.71073","MoKα","","0.0279","0.0207","","","0.0416","0.0452","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233884","4.7767","0.0002","25.1653","0.0016","11.9998","0.0008","90","","91.585","0.005","90","","1441.91","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea","3-benzoyl-1-benzyl-1-(2- {benzyl[(phenylformamido)methanethioyl]amino}ethyl)thiourea","","- C32 H30 N4 O2 S2 -","- C32 H30 N4 O2 S2 -","- C64 H60 N8 O4 S4 -","2","0.5","IM2351","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara","3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea","Acta Crystallographica Section E","2012","68","3","o619","o620","10.1107/S1600536812002954","","","0.71073","MoKα","","0.07","0.05","","","0.1117","0.1231","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233885","4.4177","0.0001","6.224","0.0002","11.841","0.0003","94.455","0.002","99.97","0.002","100.859","0.002","312.865","0.015","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","1,5-Diamino-2,6-dibromo-9,10-anthraquinone","","- C14 H8 Br2 N2 O2 -","- C14 H8 Br2 N2 O2 -","- C14 H8 Br2 N2 O2 -","1","0.5","IM2352","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","1,5-Diamino-2,6-dibromo-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","3","o838","","10.1107/S1600536812004229","","","0.71073","MoKα","","0.0286","0.0256","","","0.0693","0.0713","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233886","9.2961","0.0005","15.9931","0.0007","10.0896","0.0006","90","","104.58","0.003","90","","1451.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)naphtho[2,3-b]thiophene","","- C19 H14 O S -","- C18.99 H13.99 O S0.995 -","- C75.96 H55.96 O4 S3.98 -","4","1","IM2353","Vasudhevan, S.; Puthilibai, G.; Karunakaran, R. Joel","4-(4-Methoxyphenyl)naphtho[2,3-b]thiophene","Acta Crystallographica Section E","2012","68","3","o875","o876","10.1107/S1600536812005697","","","0.71073","MoKα","","0.0612","0.0537","","","0.1442","0.1501","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233887","12.7058","0.0007","13.8293","0.0008","13.9679","0.0008","60.76","0.001","77.68","0.001","89.564","0.001","2078.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","{μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3H-imidazolium-2-yl]- 2-(2-oxoethenyl-1κC^1^)furan-3-yl-2κC^3^}-μ-hydrido- bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate","","- C37.66 H31.33 N2 O10.67 Re2 -","- C37.664 H31.328 N2 O10.666 Re2 -","- C75.328 H62.656 N4 O21.332 Re4 -","2","1","IM2354","Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.","{μ-5-[1,3-Bis(2,4,6-trimethylphenyl)-3H-imidazolium-2-yl]-2-(2-oxoethenyl-1κC^1^)furan-3-yl-2κC^3^}-μ-hydrido-bis(tetracarbonylrhenium) tetrahydrofuran 0.67-solvate","Acta Crystallographica Section E","2012","68","3","m308","m309","10.1107/S1600536812006587","","","0.71073","MoKα","","0.0523","0.0418","","","0.1239","0.1368","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233888","10.411","0.003","11.024","0.003","11.534","0.003","95.501","0.003","95.065","0.003","102.986","0.003","1275.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","N-(2-Iodo-phenyl)-benzamidine","N-(2-Iodophenyl)benzenecarboximidamide","","- C13 H11 I N2 -","- C13 H11 I N2 -","- C52 H44 I4 N8 -","4","2","IM2355","Zhang, Yin-jun; Wang, Dong; Zhang, Hai-Liang; Wang, Yu-Guang","N-(2-Iodophenyl)benzenecarboximidamide","Acta Crystallographica Section E","2012","68","3","o726","","10.1107/S160053681200596X","","","0.71073","MoKα","","0.0386","0.033","","","0.0747","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233889","8.077","0.0007","10.2667","0.001","28.937","0.003","90","","90","","90","","2399.6","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C104 H144 N8 O24 -","4","1","IM2357","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","3","o715","o716","10.1107/S1600536812005818","","","0.71073","MoKα","","0.1195","0.0717","","","0.17","0.1878","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233890","3.9638","0.0002","11.0211","0.0008","8.711","0.0007","90","","101.344","0.005","90","","373.11","0.05","294","2","294","2","","","","","","","","3","P 1 n 1","P -2yac","7","","5-Sulfanylidene-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiol-2-one","","- C4 O S5 -","- C4 O S5 -","- C8 O2 S10 -","2","1","IS5027","Wen, Hua-Wen; Fan, Li-Xia; Liu, Li; Li, Ao; Fang, Qi","5-Sulfanylidene-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiol-2-one","Acta Crystallographica Section E","2012","68","3","o721","","10.1107/S1600536812005703","","","0.71073","MoKα","","0.0521","0.044","","","0.1244","0.1296","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233891","12.167","0.002","7.138","0.0014","10.626","0.002","90","","90.12","0.03","90","","922.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(1R*,2S*,4S*,5R*)-Cyclohexane-1,2:4,5- tetracarboxylic dianhydride","(1R*,3R*,7S*,9S*)- 5,11-dioxatricyclo[7.3.0.0^3,7^]dodecane-4,6,10,12-tetrone","","- C10 H8 O6 -","- C10 H8 O6 -","- C40 H32 O24 -","4","1","IS5043","Uchida, Akira; Hasegawa, Masatoshi; Takezawa, Eiichiro; Yamaguchi, Shinya; Ishikawa, Atsushi; Kagayama, Takashi","(1R*,2S*,4S*,5R*)-Cyclohexane-1,2:4,5-tetracarboxylic dianhydride","Acta Crystallographica Section E","2012","68","3","o579","","10.1107/S1600536812003571","","","0.71073","MoKα","","0.0495","0.0452","","","0.1335","0.1396","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233892","7.2025","0.0005","10.9574","0.0008","11.219","0.0009","117.188","0.002","91.416","0.002","107.251","0.002","738.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Methoxyphenyl)-2-{[2-(2-methoxyphenyl)hydrazinylidene](nitro)methyl}diazene","","- C15 H15 N5 O4 -","- C15 H15 N5 O4 -","- C30 H30 N10 O8 -","2","1","IS5057","von Eschwege, Karel G.; Muller, Fabian; Hill, Tania N.","1-(2-Methoxyphenyl)-2-{[2-(2-methoxyphenyl)hydrazinylidene](nitro)methyl}diazene","Acta Crystallographica Section E","2012","68","3","o609","","10.1107/S1600536812004175","","","0.71073","MoKα","","","0.0374","","","","0.11","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233893","13.3344","0.0017","5.0484","0.0006","25.767","0.003","90","","98.25","0.002","90","","1716.6","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Methoxy-N'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","2","IS5059","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Chantrapromma, Suchada","(E)-4-Methoxy-N'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o562","o563","10.1107/S1600536812003534","","","0.71073","MoKα","","0.1084","0.09","","","0.2581","0.2753","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233894","8.2721","0.0008","10.274","0.001","16.2342","0.0016","81.058","0.002","82.987","0.002","83.646","0.002","1346.8","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","Ethyl ({5-[5'-(2-ethoxy-2-oxoethoxy)-4,4''-difluoro-1,1':3',1''-terphenyl- 4'-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","","- C28 H24 F2 N2 O6 S -","- C28 H24 F2 N2 O6 S -","- C56 H48 F4 N4 O12 S2 -","2","1","IS5061","Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Ethyl ({5-[5'-(2-ethoxy-2-oxoethoxy)-4,4''-difluoro-1,1':3',1''-terphenyl-4'-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate","Acta Crystallographica Section E","2012","68","3","o674","o675","10.1107/S1600536812005028","","","0.71073","MoKα","","0.0839","0.0612","","","0.168","0.196","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233895","10.0688","0.0002","8.0116","0.0002","15.7479","0.0003","90","","106.809","0.001","90","","1216.06","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine","","- C12 H12 N4 S -","- C12 H12 N4 S -","- C48 H48 N16 S4 -","4","1","IS5063","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","5,6-Dimethyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine","Acta Crystallographica Section E","2012","68","3","o612","o613","10.1107/S1600536812004126","","","1.54178","CuKα","","0.0541","0.0479","","","0.1331","0.1391","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233896","7.6752","0.0004","8.2913","0.0004","12.9469","0.0008","84.87","0.004","82.569","0.004","63.696","0.003","731.91","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10H-phenothiazine","","- C17 H15 N3 O S -","- C17 H15 N3 O S -","- C34 H30 N6 O2 S2 -","2","1","IS5065","Pan, Yu-Zhen; Wang, You-Gui; Liu, Jian-Hui; Sun, Li-Cheng","10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10H-phenothiazine","Acta Crystallographica Section E","2012","68","3","o649","","10.1107/S160053681200462X","","","0.71073","MoKα","","0.0449","0.0393","","","0.1027","0.1071","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233897","3.9296","0.0003","7.4448","0.0005","26.3979","0.0019","90","","94.022","0.001","90","","770.37","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E,2E)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","0.5","IS5067","Asik, Safra Izuani Jama; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Jansrisewangwong, Patcharaporn; Chantraproma, Suchada","(1E,2E)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","3","o643","","10.1107/S1600536812004722","","","0.71073","MoKα","","0.0632","0.0471","","","0.133","0.1463","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233898","6.2225","0.0003","15.3429","0.0007","11.8897","0.0005","90","","112.283","0.004","90","","1050.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C40 H52 N12 O4 -","4","1","IS5068","Attia, Mohamed I.; Ghabbour, Hazem A.; El-Azzouny, Aida A.; Quah, Ching Kheng; Fun, Hoong-Kun","N-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","3","o671","","10.1107/S1600536812004904","","","1.54178","CuKα","","0.0899","0.0483","","","0.1282","0.1419","","","","","","0.954","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233899","13.4622","0.0001","9.4175","0.0001","13.3002","0.0002","90","","103.146","0.001","90","","1642.01","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Ethoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C17 H18 N4 O S -","- C17 H18 N4 O S -","- C68 H72 N16 O4 S4 -","4","1","IS5069","Chantrapromma, Suchada; Nonthason, Phonpawee; Suwunwong, Thitipone; Fun, Hoong-Kun","5-(4-Ethoxyphenyl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","3","o830","o831","10.1107/S1600536812006642","","","0.71073","MoKα","","0.0514","0.0399","","","0.0911","0.0973","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233900","24.2438","0.0018","5.1618","0.0005","24.4265","0.0017","90","","111.532","0.006","90","","2843.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Benzyl-6-methyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","IS5070","Al-Salahi, Rashad; Al-Omar, Mohamed; El-Subbagh, Hussein; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Benzyl-6-methyl-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one","Acta Crystallographica Section E","2012","68","3","o717","o718","10.1107/S1600536812006009","","","1.54178","CuKα","","0.1004","0.0551","","","0.1452","0.1663","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233901","7.5723","0.0015","8.3258","0.0017","10.346","0.002","109.7","0.04","95.74","0.03","91.15","0.03","610","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol- 2(3H)-one] dimethyl sulfoxide disolvate","5-({4-[(5-oxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]phenyl}methyl)- 2,3-dihydro-1,3,4-thiadiazol-2-one dimethyl sulfoxide disolvate","","- C16 H22 N4 O4 S6 -","- C16 H22 N4 O4 S6 -","- C16 H22 N4 O4 S6 -","1","0.5","IS5071","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5,5'-[1,4-Phenylenebis(methylenesulfanediyl)]bis[1,3,4-thiadiazol-2(3H)-one] dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","3","o781","","10.1107/S1600536812006289","","","0.71073","MoKα","","0.05","0.0337","","","","0.0996","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233902","5.0213","0.0002","15.6834","0.0005","18.6368","0.0006","90","","90","","90","","1467.67","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol- 1-yl]ethanone","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C68 H60 Cl4 N8 O8 -","4","1","IS5074","Fun, Hoong-Kun; Quah, Ching Kheng; Priya, S.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","3","o818","","10.1107/S1600536812006885","","","0.71073","MoKα","","0.0322","0.0299","","","0.0794","0.0817","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233903","7.2645","0.0002","8.5771","0.0002","13.0931","0.0005","88.384","0.002","76.39","0.002","87.814","0.001","792.17","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(3Z,3'Z)-3,3'-(3,5-Dimethylfuran-2,4-diyl)bis(4-hydroxypent-3-en-2-one)","","- C16 H20 O5 -","- C16 H20 O5 -","- C32 H40 O10 -","2","1","IS5075","Al-Said, Mansour S.; Ghorab, Mostafa M.; Chantrapromma, Suchada; Fun, Hoong-Kun","(3Z,3'Z)-3,3'-(3,5-Dimethylfuran-2,4-diyl)bis(4-hydroxypent-3-en-2-one)","Acta Crystallographica Section E","2012","68","3","o847","o848","10.1107/S1600536812007696","","","1.54178","CuKα","","0.059","0.0559","","","0.1659","0.17","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233904","8.1177","0.0005","9.1042","0.0005","18.3548","0.0011","90","","94.323","0.002","90","","1352.66","0.14","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-[1,4-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dichloride dihydrate","","- C28 H36 Cl2 N4 O2 -","- C28 H36 Cl2 N4 O2 -","- C56 H72 Cl4 N8 O4 -","2","0.5","IS5076","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Ahmad, Safaa A.; Chia, Tze Shyang; Fun, Hoong-Kun","3,3'-[1,4-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dichloride dihydrate","Acta Crystallographica Section E","2012","68","3","o845","o846","10.1107/S1600536812007738","","","0.71073","MoKα","","0.0698","0.0609","","","0.1787","0.1955","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233905","9.77","0.0004","8.6431","0.0004","24.8878","0.0009","90","","105.646","0.002","90","","2023.73","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","IS5081","Fun, Hoong-Kun; Ooi, Chin Wei; Malladi, Shridhar; Shivananda, K. N.; Isloor, Arun M.","Diethyl 2,6-dimethyl-4-(5-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o892","o893","10.1107/S1600536812008173","","","0.71073","MoKα","","0.053","0.041","","","0.1088","0.1182","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233906","18.033","0.004","9.3127","0.0019","11.061","0.002","90","","123.58","0.03","90","","1547.5","0.8","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a- dodecahydropyrano[4,3-j][1,2]benzodioxepin-4-yl)oxy]ethane","","- C32 H50 O10 -","- C32 H50 O10 -","- C64 H100 O20 -","2","0.5","JJ2118","Jia, Liwei; Yue, Zhengyu; Lv, Dongying; Gao, Po","1,2-Bis[(3,6,9-trimethyl-3,12-epoxy-3,4,5,5a,6,7,8,8a,9,10,12,12a-dodecahydropyrano[4,3-j][1,2]benzodioxepin-4-yl)oxy]ethane","Acta Crystallographica Section E","2012","68","3","o661","","10.1107/S1600536812005089","","","0.71073","MoKα","","0.0585","0.042","","","0.1075","0.1286","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233907","6.75","0.002","8.262","0.003","17.853","0.006","94.981","0.006","91.302","0.007","100.593","0.007","974.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","6-[(2-Chloropyridin-5-ylmethyl)(ethyl)azanyl]-4-(2-fluorophenyl)- 1-methyl-5-nitro-1,2,3,4-tetrahydropyridin-2-one","","- C20 H20 Cl F N4 O3 -","- C20 H20 Cl F N4 O3 -","- C40 H40 Cl2 F2 N8 O6 -","2","1","JJ2119","Sun, Chuan-Wen; Wang, Jing; Wu, Ying","6-[(2-Chloropyridin-5-ylmethyl)(ethyl)azanyl]-4-(2-fluorophenyl)-1-methyl-5-nitro-1,2,3,4-tetrahydropyridin-2-one","Acta Crystallographica Section E","2012","68","3","o753","","10.1107/S1600536812005776","","","0.71073","MoKα","","0.1279","0.0696","","","0.1273","0.1514","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233908","9.7438","0.0006","9.9953","0.0005","12.1342","0.0006","90","","90","","90","","1181.78","0.11","296","","296","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2-Chloro-4-{(E)-[(4-chlorophenyl)imino]methyl}phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","JJ2120","Şahin, Zarife Sibel; Işık, Şamil","2-Chloro-4-{(E)-[(4-chlorophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","3","o678","","10.1107/S1600536812005193","","","0.71073","MoKα","","0.0406","0.0306","","","0.0611","0.0637","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233909","7.6887","0.0003","12.9635","0.0005","13.6887","0.0005","98.943","0.003","100.292","0.003","105.174","0.003","1265.91","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis{[(4-methylphenyl)sulfonyl]oxy}propan-2-yl 4-methylbenzenesulfonate","","- C24 H26 O9 S3 -","- C23.9846 H26 O8.9934 S2.9978 -","- C47.9692 H52 O17.9868 S5.9956 -","2","1","JJ2124","Yusof, Yusrabbil Amiyati; Ariffin, Azhar; Abu Hassan, Hazimah; Ng, Seik Weng; Tiekink, Edward R. T.","1,3-Bis{[(4-methylphenyl)sulfonyl]oxy}propan-2-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","3","o909","o910","10.1107/S1600536812008227","","","1.54184","CuKα","","0.0381","0.0353","","","0.097","0.0997","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233910","6.4145","0.0003","10.0266","0.0005","11.7639","0.0006","101.606","0.003","92.24","0.002","103.932","0.002","716.28","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-2,5-dimethyl-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","KP2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,5-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","3","o584","","10.1107/S1600536812002656","","","0.71073","MoKα","","0.0405","0.033","","","0.0831","0.0874","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233911","7.1094","0.0014","18.667","0.004","8.6603","0.0017","90","","93.57","0.03","90","","1147.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Carboxypiperidinium-1-yl)pyridine-3-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","KP2382","Fan, Ping; Ge, Chunhua; Sun, Mingjun; Li, Weiwei; Shang, Runshan","2-(4-Carboxypiperidinium-1-yl)pyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o913","","10.1107/S1600536812005752","","","0.71073","MoKα","","0.0507","0.0423","","","0.1129","0.1184","","","","","","1.09","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233912","7.687","0.002","14.392","0.005","14.36","0.005","90","","95.053","0.009","90","","1582.5","0.9","73","2","73","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone","","- C16 H10 Cl2 F3 N3 S -","- C16 H10 Cl2 F3 N3 S -","- C64 H40 Cl8 F12 N12 S4 -","4","1","KP2384","Dayananda, A. S.; Yathirajan, H. S.; Harrison, William T. A.; Slawin, Alexandra M. Z.","(E)-1-(2,5-Dichlorothiophen-3-yl)ethanone [8-(trifluoromethyl)quinolin-4-yl]hydrazone","Acta Crystallographica Section E","2012","68","3","o790","","10.1107/S1600536812005673","","","0.71073","MoKα","","0.0617","0.0488","","","0.116","0.1277","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233913","7.0999","0.0014","7.239","0.0014","22.608","0.005","86.4","0.03","87.68","0.03","61.49","0.03","1019","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium","","- C24 H38 Li6 N12 O26 -","- C24 H38 Li6 N12 O26 -","- C24 H38 Li6 N12 O26 -","1","0.5","KP2385","Starosta, Wojciech; Leciejewicz, Janusz","Bis(hydrazin-1-ium) bis(μ~2~-pyridazine-3,6-dicarboxylato)bis(aqualithiate) octaaquabis(μ~3~-pyridazine-3,6-dicarboxylato)tetralithium","Acta Crystallographica Section E","2012","68","3","m324","m325","10.1107/S1600536812007192","","","0.71073","MoKα","","0.0979","0.0539","","","0.1568","0.2038","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233914","13.1311","0.001","13.6991","0.001","11.7821","0.0008","90","","103.106","0.002","90","","2064.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicyclohexyl(4-isopropylphenyl)phosphane selenide","","- C21 H33 P Se -","- C21 H33 P Se -","- C84 H132 P4 Se4 -","4","1","KP2386","Makhoba, Sizwe; Muller, Alfred; Phasha, Zanele","Dicyclohexyl(4-isopropylphenyl)phosphane selenide","Acta Crystallographica Section E","2012","68","3","o648","","10.1107/S1600536812004643","","","0.71073","MoKα","","0.0324","0.0232","","","","0.0571","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233915","33.8741","0.0013","7.1294","0.0003","19.918","0.0009","90","","118.417","0.0002","90","","4230.6","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-Phenyl-2-(1-tosyl-1H-indol-3-ylcarbonyl)acrylonitrile","","- C25 H18 N2 O3 S -","- C25 H18 N2 O3 S -","- C200 H144 N16 O24 S8 -","8","1","KP2387","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","(E)-3-Phenyl-2-(1-tosyl-1H-indol-3-ylcarbonyl)acrylonitrile","Acta Crystallographica Section E","2012","68","3","o683","o684","10.1107/S1600536812004886","","","0.71073","MoKα","","0.1531","0.051","","","0.1313","0.1763","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233916","4.8531","0.0007","11.015","0.002","11.787","0.002","69.59","0.01","78.77","0.01","83.62","0.02","578.59","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(4-Methyl-2-nitrophenyl)succinamic acid","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C22 H24 N4 O10 -","2","1","KP2388","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methyl-2-nitrophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","3","o819","","10.1107/S1600536812007258","","","0.71073","MoKα","","0.058","0.0459","","","0.1102","0.1187","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233917","9.005","0.001","13.491","0.002","8.757","0.001","90","","97.91","0.01","90","","1053.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Chloro-4-methylphenyl)maleamic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C44 H40 Cl4 N4 O12 -","4","1","KP2391","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3-Chloro-4-methylphenyl)maleamic acid","Acta Crystallographica Section E","2012","68","3","o889","","10.1107/S1600536812007842","","","0.71073","MoKα","","0.0446","0.0367","","","0.0991","0.1054","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233918","7.3649","0.0002","11.4723","0.0003","17.6114","0.0005","84.345","0.002","84.631","0.002","71.711","0.002","1402.89","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxybenzylidene)-2H-1,3-benzodithiole 1,1,3,3-tetraoxide","","- C15 H12 O5 S2 -","- C15 H12 O5 S2 -","- C60 H48 O20 S8 -","4","2","LD2042","Asahara, Haruyasu; Mayer, Peter; Mayr, Herbert","2-(4-Methoxybenzylidene)-2H-1,3-benzodithiole 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2012","68","3","o567","","10.1107/S1600536812002826","","","0.71073","MoKα","","0.0445","0.0366","","","0.0893","0.0933","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233919","9.2471","0.0017","12.53","0.002","13.275","0.002","90","","131.528","0.01","90","","1151.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate","ethyl 4-[2-(2-{2-[4-(ethoxycarbonyl)phenoxy]ethoxy}ethoxy)ethoxy]benzoate","","- C24 H30 O8 -","- C24 H30 O8 -","- C48 H60 O16 -","2","0.5","LD2043","Ma, Zhen; Qin, Haisha; Lai, Gang; Fan, Jingjie","Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate","Acta Crystallographica Section E","2012","68","3","o714","","10.1107/S1600536812004874","","","0.71073","MoKα","","0.1016","0.0509","","","0.1318","0.1638","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233920","16.058","0.002","16.058","0.002","14.343","0.003","90","","90","","90","","3698.5","1","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","DL-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","LD2046","Zhao, Jing-Min","DL-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o745","","10.1107/S1600536812005892","","","0.71073","MoKα","","0.147","0.0663","","","0.1293","0.1607","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233921","12.896","0.003","7.2143","0.0008","9.6324","0.0012","90","","106.474","0.017","90","","859.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-amino-6-oxohexanoate","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","LH5383","Gruber, Tobias; Schofield, Christopher J.; Thompson, Amber L.","Methyl 6-amino-6-oxohexanoate","Acta Crystallographica Section E","2012","68","3","o593","o594","10.1107/S1600536812003303","","","1.54184","CuKα","","0.0544","0.0439","","0.1281","0.1183","0.1277","","","","","","0.9965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233922","9.8469","0.0002","5.3263","0.0001","13.2804","0.0002","90","","99.4638","0.001","90","","687.04","0.02","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-3-oxopropanaminium chloride","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C16 H40 Cl4 N4 O8 -","4","1","LH5384","Gruber, Tobias; Schofield, Christopher J.; Thompson, Amber L.","3-Methoxy-3-oxopropanaminium chloride","Acta Crystallographica Section E","2012","68","3","o595","","10.1107/S1600536812003297","","","0.71073","MoKα","","0.0356","0.0316","","0.0803","0.0728","0.0803","","","","","","0.9248","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233923","7.2283","0.0004","10.2301","0.0005","11.9079","0.0006","100.929","0.001","97.318","0.001","91.36","0.001","856.49","0.08","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","{5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone","","- C20 H13 Cl2 N O -","- C20 H13 Cl2 N O -","- C40 H26 Cl4 N2 O2 -","2","1","LH5403","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Yasmeen, Shazia; Yousuf, Sammer","{5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o644","","10.1107/S1600536812004655","","","0.71073","MoKα","","0.0533","0.0372","","","0.091","0.102","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233924","12.7282","0.0004","14.0676","0.0004","17.0771","0.0005","90","","90","","90","","3057.74","0.16","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,3,3-Tetraethylisoindolin-2-ium chloride","","- C16 H26 Cl N -","- C16 H26 Cl N -","- C128 H208 Cl8 N8 -","8","1","LH5407","Smith, Graham; Wermuth, Urs D.","1,1,3,3-Tetraethylisoindolin-2-ium chloride","Acta Crystallographica Section E","2012","68","3","o659","","10.1107/S1600536812004588","","","0.71073","MoKα","","0.0568","0.0342","","","0.0815","0.0861","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233925","9.715","0.002","14.725","0.003","21.159","0.005","90","","90","","90","","3026.9","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(4-chlorophenyl)-N^1^,N^4^-bis(1-phenylethyl)- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C32 H28 Cl2 N6 O2 -","- C32 H28 Cl2 N6 O2 -","- C128 H112 Cl8 N24 O8 -","4","1","LH5409","Sun, Na-Bo; Ni, Jia-Bin; Rao, Guo-Wu","3,6-Bis(4-chlorophenyl)-N^1^,N^4^-bis(1-phenylethyl)-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o598","o599","10.1107/S1600536812003765","","","0.71073","MoKα","","0.0793","0.0416","","","0.085","0.099","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233926","8.2882","0.0004","9.0722","0.0004","10.0179","0.0005","90","","91.882","0.001","90","","752.86","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","","- C12 H14 Cr2 N2 O7 -","- C12 H14 Cr2 N2 O7 -","- C24 H28 Cr4 N4 O14 -","2","1","LH5410","Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Kia, Mehdi; Rheingold, Arnold L.; Golen, James A.","1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)","Acta Crystallographica Section E","2012","68","3","m305","","10.1107/S1600536812005430","","","0.71073","MoKα","","0.0285","0.0273","","","0.0661","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233927","15.288","0.007","8.213","0.003","16.473","0.007","90","","90.171","0.008","90","","2068.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]- κ^4^O^1^,N,N',O^1'^}nickel(II)","","- C22 H16 Br2 N2 Ni O4 -","- C22 H16 Br2 N2 Ni O4 -","- C88 H64 Br8 N8 Ni4 O16 -","4","1","LH5411","Sun, Yongling","{4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]-κ^4^O^1^,N,N',O^1'^}nickel(II)","Acta Crystallographica Section E","2012","68","3","m282","","10.1107/S1600536812004321","","","0.71073","MoKα","","0.0902","0.0647","","","0.1529","0.1702","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233928","15.285","0.003","6.5977","0.0014","16.729","0.004","90","","106.576","0.003","90","","1616.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3,6-Dimethyl-1,2,4,5-tetrazine-1,4-diyl)bis[(morpholin-4-yl)methanone]","","- C14 H22 N6 O4 -","- C14 H22 N6 O4 -","- C56 H88 N24 O16 -","4","1","LH5412","Sun, Na-Bo; Guo, Yan-Mei; Rao, Guo-Wu","(3,6-Dimethyl-1,2,4,5-tetrazine-1,4-diyl)bis[(morpholin-4-yl)methanone]","Acta Crystallographica Section E","2012","68","3","o681","","10.1107/S1600536812004849","","","0.71073","MoKα","","0.061","0.0487","","","0.1309","0.1418","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233929","5.8772","0.0016","10.892","0.002","12.562","0.002","90","","100.29","0.02","90","","791.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,4-Dimethylpiperazinium 3-hydroxy-2-naphthoate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","LH5414","Craig, Gemma E.; Johnson, Carla; Kennedy, Alan R.","1,4-Dimethylpiperazin-1-ium 3-hydroxy-2-naphthoate","Acta Crystallographica Section E","2012","68","3","o787","","10.1107/S1600536812005375","","","0.71073","MoKα","","0.0871","0.0456","","","0.1061","0.1208","","","","","","0.829","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233930","13.0225","0.0013","5.7767","0.0006","21.708","0.002","90","","90","","90","","1633","0.3","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","","- C7 H6 Cl N3 S -","- C7 H6 Cl N3 S -","- C56 H48 Cl8 N24 S8 -","8","2","LH5415","Fun, Hoong-Kun; Ooi, Chin Wei; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine","Acta Crystallographica Section E","2012","68","3","o691","o692","10.1107/S1600536812005442","","","0.71073","MoKα","","0.0198","0.0194","","","0.0518","0.0522","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233931","10.6704","0.0007","12.3561","0.0008","20.7734","0.0014","74.839","0.0011","84.898","0.001","66.848","0.001","2430.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-naphthalene-1-acetato- κ^2^O:O')bis[(N,N-dimethylformamide- κO)copper(II)]","","- C54 H50 Cu2 N2 O10 -","- C54 H50 Cu2 N2 O10 -","- C108 H100 Cu4 N4 O20 -","2","1","LH5416","Yin, Fu-Jun; Gu, Yu; Zhao, Hong; Bai, Di-Si","Tetrakis(μ-naphthalene-1-acetato-κ^2^O:O')bis[(N,N-dimethylformamide-κO)copper(II)]","Acta Crystallographica Section E","2012","68","3","m350","","10.1107/S1600536812007064","","","0.71073","MoKα","","0.0535","0.0427","","","0.1066","0.1148","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233932","24.6534","0.0004","10.0118","0.0001","18.4507","0.0003","90","","98.027","0.001","90","","4509.47","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Chlorido[2-({[2-(diphenylphosphanyl)benzylidene]amino}methyl)thiophene- κ^2^N,P]methylpalladium(II)","","- C25 H23 Cl N P Pd S -","- C25 H23 Cl N P Pd S -","- C200 H184 Cl8 N8 P8 Pd8 S8 -","8","1","LH5417","Motswainyana, William M.; Onani, Martin O.; Lalancette, Roger A.","Chlorido[2-({[2-(diphenylphosphanyl)benzylidene]amino}methyl)thiophene-κ^2^N,P]methylpalladium(II)","Acta Crystallographica Section E","2012","68","3","m339","","10.1107/S1600536812007295","","","1.54178","CuKα","","0.025","0.024","","","0.061","0.062","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233933","11.863","0.01","13.019","0.011","13.199","0.011","107.214","0.012","105.78","0.015","100.892","0.011","1792","3","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","Bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κS][2,4,6- tris(pyridin-2-yl)-1,3,5-triazine-κ^3^N^1^,N^2^,N^6^]zinc dioxane sesquisolvate","","- C32 H40 N8 O5 S4 Zn -","- C32 H40 N8 O5 S4 Zn -","- C64 H80 N16 O10 S8 Zn2 -","2","1","LH5418","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κS][2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-κ^3^N^1^,N^2^,N^6^]zinc dioxane sesquisolvate","Acta Crystallographica Section E","2012","68","3","m319","m320","10.1107/S160053681200671X","","","0.71069","MoKα","","0.098","0.0847","","","0.2072","0.2218","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233934","4.9427","0.0003","11.501","0.0006","14.0006","0.0008","90","","90.271","0.006","90","","795.87","0.08","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(7-Chloro-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C16 H16 Cl N O2 S2 -","- C16 H16 Cl N O2 S2 -","- C32 H32 Cl2 N2 O4 S4 -","2","1","LH5420","Kumar, K. Mahesh; Kour, Dalbir; Kapoor, Kamini; Mahabaleshwaraiah, N. M.; Kotresh, O.; Gupta, Vivek K.; Kant, Rajni","(7-Chloro-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","3","o878","o879","10.1107/S1600536812007933","","","0.71073","MoKα","","0.0372","0.0346","","","0.0795","0.082","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233935","9.5495","0.0007","16.4294","0.0012","17.7237","0.0013","90","","104.579","0.001","90","","2691.2","0.3","185","","185","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-N-{(E)-10-[(2,6-Diisopropylphenyl)imino]-9,10- dihydrophenanthren-9-ylidene}-2,6-dimethylaniline","","- C34 H34 N2 -","- C34 H34 N2 -","- C136 H136 N8 -","4","1","LR2046","Li, Dongni; Yu, Hongmei; Yu, Tianhua; Liang, Haiying; Liu, Tiemei","(Z)-N-{(E)-10-[(2,6-Diisopropylphenyl)imino]-9,10-dihydrophenanthren-9-ylidene}-2,6-dimethylaniline","Acta Crystallographica Section E","2012","68","3","o607","","10.1107/S1600536812003790","","","0.71073","MoKα","","0.096","0.0829","","","0.1561","0.1614","","","","","","1.274","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233936","15.9259","0.0011","8.4898","0.0004","27.6362","0.0019","90","","93.468","0.005","90","","3729.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-3-(hydroxymethyl)pyridinium 2-benzoylbenzoate monohydrate","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","LR2047","Odabaşoğlu, Hakkı Yasin; Büyükgüngör, Orhan; Avinç, Osman Ozan; Odabaşoğlu, Mustafa","2-Amino-3-(hydroxymethyl)pyridinium 2-benzoylbenzoate monohydrate","Acta Crystallographica Section E","2012","68","3","o707","o708","10.1107/S1600536812005612","","","0.71073","MoKα","","0.125","0.0622","","","0.1306","0.1555","","","","","","0.953","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233937","6.651","0.003","14.208","0.007","25.854","0.012","90","","90","","90","","2443","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato- 1:2κ^4^S,S':S,S'}bis[tricarbonyliron(I)]","","- C22 H14 Fe2 N2 O6 S3 -","- C22 H14 Fe2 N2 O6 S3 -","- C88 H56 Fe8 N8 O24 S12 -","4","1","LR2050","Gao, Shang; Duan, Qian; Jiang, Da-yong","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato-1:2κ^4^S,S':S,S'}bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2012","68","3","m315","","10.1107/S1600536812006861","","","0.71073","MoKα","","0.0362","0.027","","","0.0495","0.0519","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233938","9.133","0.003","12.191","0.004","15.038","0.006","66.116","0.007","85.263","0.009","77.08","0.006","1492.1","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","6,7-Bis(bromomethyl)-2,11,18,21,24,27- hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta- 1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate","","- C29 H32 Br2 Cl2 O6 -","- C29 H32 Br2 Cl2 O6 -","- C58 H64 Br4 Cl4 O12 -","2","1","LX2226","Beack, Hyun Jin; Yoo, Seung Mee; Kim, Jae Eun; Sim, Wonbo; Lee, Jai Young","6,7-Bis(bromomethyl)-2,11,18,21,24,27-hexaoxatetracyclo[26.4.0.0^4,9^.0^12,17^]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","3","o720","","10.1107/S160053681200565X","","","0.71073","MoKα","","0.1842","0.0789","","","0.1681","0.2427","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233939","7.3335","0.0011","12.956","0.002","21.506","0.003","90","","90","","90","","2043.3","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Methylnaltrexone bromide methanol monosolvate","(4R,4aS,7aR,12bS)-3-cyclopropylmethyl- 4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12- methanobenzofuro[3,2-e]isoquinolin-3-ium bromide methanol monosolvate","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","MW2034","Li, Guoqing; Cai, Xu; Zheng, Zhibing; Zhou, Xinbo; Li, Song","Methylnaltrexone bromide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o827","","10.1107/S1600536812005545","","","0.71073","MoKα","","0.0309","0.0237","","","0.0454","0.0466","","","","","","0.9","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233940","18.0199","0.0005","9.6391","0.0002","21.0754","0.0007","90","","90","","90","","3660.7","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","","- C21 H19 F2 N O2 -","- C21 H19 F2 N O2 -","- C168 H152 F16 N8 O16 -","8","1","MW2046","Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","Acta Crystallographica Section E","2012","68","3","o585","","10.1107/S160053681200373X","","","1.54178","CuKα","","0.0693","0.055","","","0.1635","0.1801","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233941","13.8606","0.0012","7.69","0.0007","21.5052","0.0019","90","","92.447","0.001","90","","2290.1","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{μ-2-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-azapropane-1,3-dithiolato- κ^4^S,S':S,S'}bis[tricarbonyliron(I)]","","- C21 H12 Fe2 N2 O6 S3 -","- C21 H12 Fe2 N2 O6 S3 -","- C84 H48 Fe8 N8 O24 S12 -","4","1","MW2048","Gao, Shang; Duan, Qian; Jiang, Da-yong","{μ-2-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-azapropane-1,3-dithiolato-κ^4^S,S':S,S'}bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2012","68","3","m248","","10.1107/S1600536812003753","","","0.71073","MoKα","","0.0259","0.0231","","","0.062","0.0631","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233942","7.661","0.003","18.999","0.007","11.732","0.004","90","","104.96","0.006","90","","1649.7","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-3-nitrophthalato-κ^2^O^1^:O^2^)bis[(thiourea- κS)zinc] dihydrate","","- C20 H26 N10 O14 S4 Zn2 -","- C20 H26 N10 O14 S4 Zn2 -","- C40 H52 N20 O28 S8 Zn4 -","2","0.5","MW2049","Gao, Hui-Peng; Guo, Ming-Lin","Bis(μ-3-nitrophthalato-κ^2^O^1^:O^2^)bis[(thiourea-κS)zinc] dihydrate","Acta Crystallographica Section E","2012","68","3","m264","","10.1107/S1600536812004679","","","0.71073","MoKα","","0.0299","0.0238","","","0.0627","0.0642","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233943","19.148","0.006","4.703","0.0015","11.571","0.004","90","","90.159","0.005","90","","1042","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl gallate","Isopropyl 3,4,5-trihydroxybenzoate","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","MW2052","Lan, Wei; Shen, Xu-Ji; Xiao, Chao-Ni; Wang, Shi-Xiang; Zheng, Xiao-Hui","Isopropyl 3,4,5-trihydroxybenzoate","Acta Crystallographica Section E","2012","68","3","o650","","10.1107/S1600536812004278","","","0.71073","MoKα","","0.0552","0.0424","","","0.1233","0.1324","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233944","17.428","0.013","9.391","0.007","16.17","0.013","90","","111.995","0.007","90","","2454","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-3-(4-chlorophenyl)-2-isobutylamino-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","","- C26 H27 Cl N4 O S -","- C26 H27 Cl N4 O S -","- C104 H108 Cl4 N16 O4 S4 -","4","1","NC2265","Chen, Hong; Liao, Quan-Bin","7-Benzyl-3-(4-chlorophenyl)-2-isobutylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2012","68","3","o822","","10.1107/S1600536812007246","","","0.71073","MoKα","","0.1084","0.0703","","","0.1459","0.1636","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233945","15.4012","0.0005","10.7035","0.0003","17.8548","0.0005","90","","90.491","0.003","90","","2943.2","0.15","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Picolinato-κ^2^N,O)[Tris(2-isopropyl-1H-imidazol- 4-yl-κN^3^)phosphane]cobalt(II) nitrate","","- C24 H31 Co N8 O5 P -","- C24 H31 Co N8 O5 P -","- C96 H124 Co4 N32 O20 P4 -","4","1","NC2266","Reiss, Guido J.; Börgardts, Markus; Kunz, Peter C.","(Picolinato-κ^2^N,O)[tris(2-isopropyl-1H-imidazol-4-yl-κN^3^)phosphane]cobalt(II) nitrate","Acta Crystallographica Section E","2012","68","3","m265","m266","10.1107/S1600536812004485","","","0.71073","MoKα","","0.0585","0.0423","","","0.0806","0.0862","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233946","12.6771","0.0017","9.241","0.0013","12.7055","0.0018","90","","93.09","0.003","90","","1486.3","0.4","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","NC2267","Sumathi, H. P.; Flörke, Ulrich; Yathirajan, H. S.; Dayananda, A. S.; Ramesha, A. R.","Methyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate","Acta Crystallographica Section E","2012","68","3","o874","","10.1107/S1600536812007982","","","0.71073","MoKα","","0.0716","0.0477","","","0.1041","0.1172","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233947","12.2046","0.0008","12.6121","0.0009","18.433","0.001","90","","90","","90","","2837.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","NC2268","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","N-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o786","","10.1107/S160053681200640X","","","0.71073","MoKα","","0.1214","0.0742","","","0.1296","0.1473","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233948","11.3384","0.0004","21.1383","0.0008","6.957","0.0003","90","","93.61","0.002","90","","1664.11","0.11","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","NK2125","Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.","(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2012","68","3","o729","","10.1107/S1600536812005855","","","1.54178","CuKα","","0.0412","0.0368","","","0.0937","0.0968","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233949","31.2788","0.0005","9.7215","0.0001","12.4508","0.0002","90","","107.936","0.002","90","","3602","0.1","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","NK2137","Rivera, Augusto; González, Derly Marcela; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","3","o698","o699","10.1107/S1600536812005284","","","1.5418","CuKα","","0.04","0.0338","","","0.0951","0.1","","","","","","1.61","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233950","19.0097","0.0014","9.0667","0.0007","9.1999","0.0008","90","","92.022","0.007","90","","1584.7","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isonipecotamide hydrogen cyclohexane-1,2-dicarboxylate","rac-4-Carbamoylpiperidinium cis-2-carboxycyclohexane-1-carboxylate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","NK2139","Smith, Graham; Wermuth, Urs D.","rac-4-Carbamoylpiperidinium cis-2-carboxycyclohexane-1-carboxylate","Acta Crystallographica Section E","2012","68","3","o660","","10.1107/S1600536812004710","","","0.71073","MoKα","","0.1146","0.0751","","","0.1645","0.1824","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233951","7.9674","0.0011","8.6993","0.0017","11.596","0.002","104.499","0.017","94.871","0.014","95.001","0.014","770.4","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl N-(2-benzoyl-4-chlorophenyl)ethanecarboximidate","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C34 H32 Cl2 N2 O4 -","2","1","NK2143","Sumathi, H. P.; Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","Ethyl N-(2-benzoyl-4-chlorophenyl)ethanecarboximidate","Acta Crystallographica Section E","2012","68","3","o916","","10.1107/S1600536812007763","","","0.7107","MoKα","","0.0663","0.0435","","","0.1029","0.1174","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233952","23.642","0.005","16.171","0.004","5.1523","0.0011","90","","90","","90","","1969.8","0.8","93","","93","","","","","","","","","3","P n a 21","P 2c -2n","33","","9-Ethynyl-9H-carbazole","","- C14 H9 N -","- C14 H9 N -","- C112 H72 N8 -","8","2","NK2144","Tabata, Hideyuki; Okuno, Tsunehisa","9-Ethynyl-9H-carbazole","Acta Crystallographica Section E","2012","68","3","o828","","10.1107/S1600536812007143","","","0.71075","MoKα","","","0.0501","","","","0.1343","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233953","8.1144","0.0005","12.225","0.0005","15.3505","0.0009","90","","102.479","0.006","90","","1486.77","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2,6-dichlorobenzyl)selane","","- C14 H10 Cl4 Se -","- C14 H10 Cl4 Se -","- C56 H40 Cl16 Se4 -","4","1","NK2146","Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie","Bis(2,6-dichlorobenzyl)selane","Acta Crystallographica Section E","2012","68","3","o921","","10.1107/S1600536812008318","","","0.7107","MoKα","","0.0683","0.0455","","","0.1125","0.1274","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233954","7.7122","0.0012","10.1577","0.0015","19.185","0.003","80.409","0.008","79.718","0.009","80.407","0.008","1443.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Adefovir dipivoxil 0.5succinic acid","Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate‒succinic acid (2/1)","","- C44 H70 N10 O20 P2 -","- C44 H70 N10 O20 P2 -","- C44 H70 N10 O20 P2 -","1","0.5","PK2386","Jung, Sungyup; Ha, Jeong-Myeong; Kim, Il Won","Bis[(2,2-dimethylpropanoyloxy)methyl] {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate‒succinic acid (2/1)","Acta Crystallographica Section E","2012","68","3","o809","o810","10.1107/S1600536812006873","","","0.71073","MoKα","","0.0737","0.0462","","","0.1308","0.1429","","","","","","1.008","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2233955","5.8472","0.0001","80.3936","0.0009","8.6219","0.0001","90","","103.292","0.001","90","","3944.39","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Benzyl-N-methylpiperazine-1-carbothioamide","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C156 H228 N36 S12 -","12","3","PK2388","Alanazi, Amer M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Benzyl-N-methylpiperazine-1-carbothioamide","Acta Crystallographica Section E","2012","68","3","o712","o713","10.1107/S1600536812005685","","","1.54184","CuKα","","0.032","0.032","","","0.0868","0.0868","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233956","12.0713","0.0009","23.4762","0.001","34.496","0.002","90","","90","","90","","9775.8","1","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","2,2'-[(2S*,6R*)-Piperidine-2,6-diyl]dipropan-2-ol","","- C11 H23 N O2 -","- C11 H23 N O2 -","- C352 H736 N32 O64 -","32","1","PK2389","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","2,2'-[(2S*,6R*)-Piperidine-2,6-diyl]dipropan-2-ol","Acta Crystallographica Section E","2012","68","3","o857","","10.1107/S1600536812005879","","","0.71073","MoKα","","0.1441","0.0856","","","0.1284","0.1462","","","","","","1.163","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233957","6.6241","0.0003","13.6873","0.0006","13.9726","0.0006","90","","90","","90","","1266.84","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S,6R,7aR)-2-Benzyl-1,6- dihydroxyhexahydropyrrolizin-3-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","PV2494","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2S,6R,7aR)-2-Benzyl-1,6-dihydroxyhexahydropyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o587","","10.1107/S1600536812002334","","","1.54178","CuKα","","0.0261","0.0261","","","0.078","0.0781","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233958","16.2068","0.0012","7.8839","0.0006","27.262","0.002","90","","90","","90","","3483.3","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[(3-Bromobenzylidene)-amino]-5-chlorophenyl}(phenyl)methanone","","- C20 H13 Br Cl N O -","- C20 H13 Br Cl N O -","- C160 H104 Br8 Cl8 N8 O8 -","8","1","PV2506","Aslam, M.; Anis, I.; Afza, N.; Safder, M.; Yousuf, S.","{2-[(3-Bromobenzylidene)amino]-5-chlorophenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o645","","10.1107/S1600536812004667","","","0.71073","MoKα","","0.09","0.0445","","","0.0951","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233959","12.86","0.0013","17.6436","0.0017","22.732","0.002","90","","90","","90","","5157.8","0.9","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","μ~3~-bromo-tri-μ~3~-sulfido-oxo-tris (triphenylphosphane-κp)-tricopper(I)-tungsten(VI)","","- C54 H45 Br Cu3 O P3 S3 W -","- C54 H45 Br Cu3 O P3 S3 W -","- C216 H180 Br4 Cu12 O4 P12 S12 W4 -","4","1","PV2509","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","μ~3~-Bromido-oxidotri-μ~3~-sulfido-tris(triphenylphosphane-κP)tricopper(I)tungsten(VI)","Acta Crystallographica Section E","2012","68","3","m281","","10.1107/S1600536812004631","","","0.7107","MoKα","","0.0571","0.047","","","0.0984","0.1135","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233960","11.4572","0.0006","9.5782","0.0003","13.8108","0.0006","90","","114.047","0.005","90","","1384.05","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{4-bromo-2-[(naphthalen-1-ylimino)methyl]phenolato- κ^2^N,O}copper(II)","","- C34 H22 Br2 Cu N2 O2 -","- C34 H22 Br2 Cu N2 O2 -","- C68 H44 Br4 Cu2 N4 O4 -","2","0.5","PV2510","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Bis{4-bromo-2-[(naphthalen-1-ylimino)methyl]phenolato-κ^2^N,O}copper(II)","Acta Crystallographica Section E","2012","68","3","m278","","10.1107/S1600536812004989","","","1.54184","CuKα","","0.0773","0.0739","","","0.1552","0.1572","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233961","15.422","0.003","23.068","0.005","7.6141","0.0015","90","","92.6","0.03","90","","2706","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene","","- C13 H11 Cl2 N3 O -","- C13 H11 Cl2 N3 O -","- C104 H88 Cl16 N24 O8 -","8","1","PV2511","Melardi, Mohammad Reza; Aghamohamadi, Maryam; Attar Gharamaleki, Jafar; Rofouei, Mohammad Kazem; Notash, Behrouz","1-(3,5-Dichlorophenyl)-3-(2-methoxyphenyl)triaz-1-ene","Acta Crystallographica Section E","2012","68","3","o724","","10.1107/S1600536812005132","","","0.71073","MoKα","","0.1193","0.0663","","","0.119","0.1366","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233962","7.6448","0.0006","21.405","0.002","8.5755","0.0007","90","","106.976","0.005","90","","1342.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{(E)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","1","PV2513","Howie, R. Alan; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","2-{(E)-1-[2-(2-Nitrophenyl)hydrazin-1-ylidene]ethyl}benzene-1,3-diol monohydrate","Acta Crystallographica Section E","2012","68","3","o765","o766","10.1107/S1600536812006241","","","0.71073","MoKα","","0.163","0.0662","","","0.1486","0.1936","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233963","29.192","0.004","3.911","0.0003","11.2025","0.0007","90","","90","","90","","1279","0.2","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(2E)-2-[(2E)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1H- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","PV2516","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-[(2E)-3-Phenylprop-2-en-1-ylidene]-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","3","o814","","10.1107/S1600536812007131","","","0.71073","MoKα","","0.0489","0.0421","","","0.0969","0.1012","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233964","7.84","0.002","8.815","0.003","23.079","0.003","90","","99.68","0.002","90","","1572.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua{4-chloro-2-[(pyridin-2-ylmethyl)iminomethyl]phenolato}copper(II) nitrate monohydrate","","- C13 H14 Cl Cu N3 O6 -","- C13 H14 Cl Cu N3 O6 -","- C52 H56 Cl4 Cu4 N12 O24 -","4","1","QM2051","Yu, Jing","A second polymorph of aqua{4-chloro-2-[(pyridin-2-ylmethyl)iminomethyl]phenolato}copper(II) nitrate monohydrate","Acta Crystallographica Section E","2012","68","3","m275","","10.1107/S1600536812004564","","","0.71073","MoKα","","0.0525","0.0366","","","0.0829","0.089","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233965","25.3105","0.0004","25.3105","0.0004","6.0995","0.0002","90","","90","","90","","3907.47","0.16","298.6","0.6","298.6","0.6","","","","","","","","3","I 41/a :2","-I 4ad","88","","2,3-Dihydro-1H-cyclopenta[b]naphthalen-1-ol","","- C13 H12 O -","- C13 H12 O -","- C208 H192 O16 -","16","1","QM2052","Çelik, Ísmail; Akkurt, Mehmet; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","2,3-Dihydro-1H-cyclopenta[b]naphthalen-1-ol","Acta Crystallographica Section E","2012","68","3","o687","","10.1107/S1600536812005181","","","1.5418","CuKα","","0.0485","0.0439","","","0.1196","0.1259","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233966","7.987","0.0013","8.9811","0.0014","11.3907","0.0018","91.093","0.002","99.873","0.002","114.57","0.002","728.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol","","- C13 H8 Br I2 N O -","- C13 H8 Br I2 N O -","- C26 H16 Br2 I4 N2 O2 -","2","1","QM2053","Ji, Hao; Ma, Hua-Ping; Yang, Yong-An; Zhu, Hai-Liang","2-[(4-Bromophenylimino)methyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o788","","10.1107/S160053681200551X","","","0.71073","MoKα","","0.0452","0.0319","","","0.0837","0.0939","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233967","12.777","0.0003","5.1384","0.0001","19.0973","0.0004","90","","91.814","0.002","90","","1253.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","QM2054","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Methyl-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","3","o862","","10.1107/S1600536812007301","","","1.54184","CuKα","","0.0368","0.0332","","","0.0935","0.0975","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233968","11.722","0.002","9.227","0.0018","19.615","0.004","90","","104.52","0.03","90","","2053.8","0.7","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2,3,4-tri-O-acetyl-β-D-xyloside","","- C19 H19 N O10 -","- C19 H19 N O10 -","- C76 H76 N4 O40 -","4","2","RK2311","Tian, Runan; Haoriqinbatu; Liu, Hongchang; Wang, Xiaoming; Yang, Yonghua","1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 2,3,4-tri-O-acetyl-β-D-xyloside","Acta Crystallographica Section E","2012","68","3","o635","","10.1107/S1600536812004369","","","0.71073","MoKα","","0.0723","0.0474","","","0.1182","0.1312","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233969","5.7174","0.0011","8.0934","0.001","16.972","0.004","90","","99.69","0.018","90","","774.1","0.3","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","","- C18 H15 N5 -","- C18 H15 N5 -","- C36 H30 N10 -","2","1","RK2325","Quiroa-Montalván, Claudia M.; Aguirre, Gerardo; Parra-Hake, Miguel","1,3,5-Tris(pyridin-3-yl)-2,4-diazapenta-1,4-diene","Acta Crystallographica Section E","2012","68","3","o746","","10.1107/S1600536812005909","","","0.71073","MoKα","","0.216","0.0695","","","0.0977","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233970","8.5319","0.0012","8.8244","0.0012","19.688","0.003","90","","90","","90","","1482.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane- 1,2-diamine-κ^3^N,N',N'']mercury(II)","","- C12 H19 Cl2 Hg N3 -","- C12 H19 Cl2 Hg N3 -","- C48 H76 Cl8 Hg4 N12 -","4","1","RK2329","Gao, Chuan-Zhu; Zhang, Xiu-Ying; Cheng, Lin","Dichlorido[(1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^N,N',N'']mercury(II)","Acta Crystallographica Section E","2012","68","3","m235","","10.1107/S1600536812003340","","","0.71073","MoKα","","0.0215","0.0206","","","0.0445","0.0447","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233971","7.1906","0.0014","7.841","0.0017","10.6205","0.0015","97.779","0.015","109.04","0.015","91.864","0.018","558.95","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C20 H16 Cl4 O8 -","2","1","RK2334","Sun, Yongling","Dimethyl 4,5-dichlorobenzene-1,2-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o834","","10.1107/S1600536812007167","","","0.71073","MoKα","","0.0432","0.0345","","","0.0873","0.0923","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233972","14.2763","0.0007","10.7038","0.0006","9.5245","0.0004","90","","108.087","0.005","90","","1383.53","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-N-(3,5-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","RK2336","Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef","4-Chloro-N-(3,5-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o820","","10.1107/S1600536812007180","","","0.71073","MoKα","","0.0782","0.0483","","","0.1393","0.1523","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233973","15.361","0.003","12.118","0.002","8.7317","0.0014","90","","100.717","0.004","90","","1597","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","RK2339","Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","(E)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2012","68","3","o904","o905","10.1107/S1600536812008082","","","0.71073","MoKα","","0.1288","0.0547","","","0.1408","0.1706","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233974","17.4428","0.0004","16.2753","0.0004","16.3873","0.0004","90","","118.333","0.0011","90","","4094.82","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-amino-N-(pyrimidin-2-yl-κN)benzenesulfonamidato- κN](4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium dimethylformamide monosolvate","","- C38 H44 Cd N12 O6 S2 -","- C38 H44 Cd N12 O6 S2 -","- C152 H176 Cd4 N48 O24 S8 -","4","0.5","RN2090","Hossain, G. M. Golzar; Amoroso, A. J.","Bis[4-amino-N-(pyrimidin-2-yl-κN)benzenesulfonamidato-κN](4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","3","m276","m277","10.1107/S1600536812004412","","","0.71073","MoKα","","0.0516","0.0381","","","0.0868","0.093","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233975","10.0672","0.0001","16.7057","0.0002","17.5574","0.0002","90","","93.175","0.001","90","","2948.26","0.06","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo- 1-carba-closo-dodecaborate","","- C4 H11 B11 F I10 N S -","- C4 H11 B11 F I10 N S -","- C16 H44 B44 F4 I40 N4 S4 -","4","1","RU2027","Finze, Maik; Reiss, Guido J.","Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo-1-carba-closo-dodecaborate","Acta Crystallographica Section E","2012","68","3","o640","","10.1107/S1600536812004424","","","0.71073","MoKα","","0.0256","0.0241","","","0.0518","0.0522","","","","","","1.312","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233976","18.3","0.0002","8.6326","0.0001","9.8172","0.0001","90","","102.095","0.0007","90","","1516.46","0.03","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","lithium nonacerium hexadecamolybdenum pentatridecaoxide","","- Ce9 Li Mo16 O35 -","- Ce9 Li Mo16 O35 -","- Ce18 Li2 Mo32 O70 -","2","0.25","RU2029","Gougeon, Patrick; Gall, Philippe","LiCe~9~Mo~16~O~35~","Acta Crystallographica Section E","2012","68","3","i21","i22","10.1107/S160053681200801X","","","0.71069","MoKα","","0.018","0.0164","","","0.0323","0.0325","","","","","","1.289","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233977","10.756","0.003","11.062","0.003","11.156","0.003","62.638","0.004","61.356","0.004","61.795","0.004","978.9","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","bis(triphenylsilyl) oxide toluene disolvate","triphenyl[(triphenylsilyl)oxy]silane toluene disolvate","","- C50 H46 O Si2 -","- C50 H46 O Si2 -","- C50 H46 O Si2 -","1","0.5","RZ2678","Purdy, Andrew P.; Smoot, Emily; Butcher, Ray J.; Kerr, Andrew","Triclinic polymorph of bis(triphenylsilyl) oxide toluene disolvate","Acta Crystallographica Section E","2012","68","3","o588","","10.1107/S160053681200356X","","","0.71073","MoKα","","0.1187","0.0884","","","0.2367","0.259","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233978","26.054","0.003","28.528","0.003","16.295","0.0015","90","","90","","90","","12112","2","113","2","113","2","","","","","","","","6","F d d 2","F 2 -2d","43","","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","","- C13 H20 F6 N O P -","- C13 H20 F6 N O P -","- C416 H640 F192 N32 O32 P32 -","32","2","RZ2692","Yang, Fang; Zang, Hongjun; Cheng, Bowen; Xu, Xianlin; Ren, Yuanlin","4-Benzyl-4-ethylmorpholin-1-ium hexafluorophosphate","Acta Crystallographica Section E","2012","68","3","o840","","10.1107/S1600536812001006","","","0.7107","MoKα","","0.039","0.0364","","","0.076","0.0781","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233979","25.703","0.005","9.3679","0.0019","20.005","0.004","90","","111.58","0.03","90","","4479.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(triphenylphosphane-κP)copper(I)]-di-μ-bromido- [(triphenylphosphane-κP)copper(I)]-μ-1,3-bis(pyridin-4-yl)propane- κ^2^N:N']","","- C49 H44 Br2 Cu2 N2 P2 -","- C49 H44 Br2 Cu2 N2 P2 -","- C196 H176 Br8 Cu8 N8 P8 -","4","0.5","RZ2699","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","catena-Poly[[(triphenylphosphane-κP)copper(I)]-di-μ-bromido-[(triphenylphosphane-κP)copper(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^N:N']","Acta Crystallographica Section E","2012","68","3","m252","","10.1107/S1600536812004084","","","0.71073","MoKα","","0.0635","0.0466","","","0.0919","0.1003","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233980","9.0425","0.0004","11.1127","0.0005","13.3005","0.0006","68.016","0.001","84.588","0.001","79.735","0.001","1218.95","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'- pyrrolo[1,2-c][1,3]thiazole-6',2''-indan]-1,3,1''-trione","3'-(2,5-dimethoxyphenyl)-1,1'',3,3',3'',3'a,4',6'-octahydrodispiro[indene- 2,1'-pyrrolo[1,2-c][1,3]thiazole-2',2''-indene]-1,1'',3-trione","","- C30 H25 N O5 S -","- C30 H25 N O5 S -","- C60 H50 N2 O10 S2 -","2","1","RZ2700","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Razak, Ibrahim Abdul; Arshad, Suhana","7'-(2,5-Dimethoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[indan-2,5'-pyrrolo[1,2-c][1,3]thiazole-6',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2012","68","3","o560","o561","10.1107/S1600536812003169","","","0.71073","MoKα","","0.0501","0.0377","","","0.0973","0.1056","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233981","10.6975","0.0007","10.6921","0.0007","18.3732","0.0013","90","","91.068","0.001","90","","2101.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-{2-[2,3-bis(methoxycarbonyl)guanido]-5-(phenylthio)phenyl}-\ 2-methoxyacetamide","Methyl N-({[2-(2-methoxyacetamido)-4- (phenylsulfanyl)phenyl]amino}[(methoxycarbonyl)imino]methyl)carbamate","","- C20 H22 N4 O6 S -","- C20 H22 N4 O6 S -","- C80 H88 N16 O24 S4 -","4","1","RZ2701","Fun, Hoong-Kun; Hemamalini, Madhukar; Divya, K.; Narayana, B.; Sarojini, B. K.","Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl)imino]methyl)carbamate","Acta Crystallographica Section E","2012","68","3","o581","o582","10.1107/S1600536812002760","","","0.71073","MoKα","","0.038","0.0332","","","0.0928","0.0966","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233982","12.3304","0.0009","9.8875","0.0002","12.2118","0.0003","90","","117.322","0.008","90","","1322.73","0.14","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C48 H40 F12 N12 O16 -","4","1","RZ2702","Trasi, Niraj S.; Fanwick, Phillip E.; Taylor, Lynne S.","Nilutamide","Acta Crystallographica Section E","2012","68","3","o591","","10.1107/S1600536812003728","","","1.54184","CuKα","","0.037","0.032","","","0.078","0.085","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233983","17.2983","0.0004","5.3397","0.0001","17.1669","0.0004","90","","118.195","0.001","90","","1397.52","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate","","- C16 H11 F O5 S -","- C16 H11 F O5 S -","- C64 H44 F4 O20 S4 -","4","1","RZ2704","Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun","4-Methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2012","68","3","o641","o642","10.1107/S1600536812004394","","","0.71073","MoKα","","0.0713","0.0562","","","0.1458","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233984","11.99","0.002","13.558","0.003","8.58","0.0017","90","","96.752","0.003","90","","1385.1","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3-Nitro-N'-(3-nitrobenzylidene)benzohydrazide","","- C14 H10 N4 O5 -","- C14 H10 N4 O5 -","- C56 H40 N16 O20 -","4","1","RZ2706","Li, Xiao-Yan","(E)-3-Nitro-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o696","","10.1107/S1600536812005466","","","0.71073","MoKα","","0.145","0.0781","","","0.1279","0.1514","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233985","13.4825","0.0013","15.1586","0.0015","16.1281","0.0012","90","","116.815","0.006","90","","2941.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-[1-(3-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C14 H11 Cl N4 O4 -","- C14 H11 Cl N4 O4 -","- C112 H88 Cl8 N32 O32 -","8","2","RZ2707","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Karalai, Chatchanok","(E)-1-[1-(3-Chlorophenyl)ethylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2012","68","3","o704","o705","10.1107/S160053681200548X","","","0.71073","MoKα","","0.1056","0.0508","","","0.1461","0.1831","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233986","11.823","0.002","12.813","0.003","8.702","0.0017","90","","94.855","0.002","90","","1313.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide","","- C14 H10 F N3 O3 -","- C14 H10 F N3 O3 -","- C56 H40 F4 N12 O12 -","4","1","RZ2708","Li, Xiao-Yan","(E)-N'-(3-Fluorobenzylidene)-3-nitrobenzohydrazide","Acta Crystallographica Section E","2012","68","3","o697","","10.1107/S1600536812005478","","","0.71073","MoKα","","0.1352","0.0798","","","0.1867","0.2179","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233987","8.4408","0.0012","26.844","0.004","10.4615","0.0013","90","","100.398","0.003","90","","2331.5","0.6","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro- 4H-chromen-2-aminium methanolate","","- C24 H23 Cl N2 O4 -","- C24 H23 Cl N2 O4 -","- C96 H92 Cl4 N8 O16 -","4","1","RZ2709","Sun, Rong; Wang, Ke; Wu, Dong-Dong; Huang, Wei; Ou, Yang-Bing","4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate","Acta Crystallographica Section E","2012","68","3","o824","","10.1107/S1600536812007088","","","0.71073","MoKα","","0.0755","0.0564","","","0.1257","0.132","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233988","9.4833","0.0002","10.0838","0.0002","20.3885","0.0004","90","","101.513","0.001","90","","1910.48","0.07","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5E)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","RZ2710","Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul","(3E,5E)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one","Acta Crystallographica Section E","2012","68","3","o802","o803","10.1107/S1600536812006307","","","0.71073","MoKα","","0.0763","0.051","","","0.1125","0.1254","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233989","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(3-Methoxyphenyl)-tert-butanesulfinamide","","- C11 H17 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","RZ2711","Sun, Xiaofei; Dai, Chuan; Tu, Xingzhao; Wang, Wenguo; Zeng, Qingle","(R)-N-(3-Methoxyphenyl)-tert-butanesulfinamide","Acta Crystallographica Section E","2012","68","3","o773","","10.1107/S1600536812006496","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233990","13.675","0.003","9.6518","0.0019","16.505","0.003","90","","102.84","0.03","90","","2124","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol N,N-dimethylformamide monosolvate","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","RZ2712","Wang, Wen-xiang","1-[(2-Hydroxyphenyl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","3","o884","","10.1107/S1600536812007787","","","0.71073","MoKα","","0.1656","0.066","","","0.1444","0.184","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233991","5.0607","0.0009","11.086","0.002","27.629","0.005","90","","90","","90","","1550.1","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-4-Methoxy-N'-(3-ethoxy-4-hydroxybenzylidene)benzohydrazide","(E)-N'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","RZ2713","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Karalai, Chatchanok; Chantrapromma, Suchada","(E)-N'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","3","o849","o850","10.1107/S1600536812007374","","","0.71073","MoKα","","0.0785","0.0512","","","0.1368","0.1541","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233992","9.9383","0.0003","14.6494","0.0004","12.0097","0.0003","90","","108.535","0.001","90","","1657.8","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylbenzenesulfonamide","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","SJ5187","Vennila, Jasmine P.; Thiruvadigal, D. John; Kamala, E. Theboral Sugi; Kavitha, Helen P.; Manivannan, V.","N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o882","","10.1107/S1600536812005272","","","0.71073","MoKα","","0.0535","0.0385","","","0.1042","0.1151","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233993","11.1716","0.0007","19.4025","0.0012","12.0025","0.0007","90","","106.245","0.001","90","","2497.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","","- C41 H81.86 N O16.43 S2 -","- C41 H81.864 N O16.432 S2 -","- C82 H163.728 N2 O32.864 S4 -","2","1","SJ5188","Brüning, Jürgen; Trepte, Tanja K.; Bats, Jan W.; Schmidt, Martin U.","Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate","Acta Crystallographica Section E","2012","68","3","o700","o701","10.1107/S1600536812005223","","","0.71073","MoKα","","0.099","0.0621","","","0.1269","0.1422","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2233994","8.735","0.0017","9.275","0.0019","10.719","0.002","90","","99.83","0.03","90","","855.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N-methylbenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","SJ5190","Yuan, Juan; Liu, Yan-Ju","4-Methoxy-N-methylbenzamide","Acta Crystallographica Section E","2012","68","3","o647","","10.1107/S1600536812004746","","","0.71073","MoKα","","0.0774","0.0523","","","0.1475","0.169","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233995","4.6989","0.0001","23.7246","0.0007","11.3635","0.0003","90","","91.646","0.001","90","","1266.27","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate monohydrate","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","SJ5191","Yasmeen, Rehana; Zia-ur-Rehman, Muhammad; Khattak, Muhammad Azim; Arshad, Muhammad Nadeem; Khan, Islam Ullah","Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o630","o631","10.1107/S1600536812004333","","","0.71073","MoKα","","0.0762","0.0472","","","0.1331","0.1626","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233996","21.9588","0.001","11.0866","0.0005","9.3132","0.0004","90","","90","","90","","2267.28","0.17","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Bromo-N-(4-hydroxybenzylidene)aniline","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C104 H80 Br8 N8 O8 -","8","1","SJ5193","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Bromo-N-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2012","68","3","o772","","10.1107/S1600536812006101","","","0.71073","MoKα","","0.0789","0.0562","","","0.1552","0.1737","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233997","10.7019","0.0014","7.1483","0.0009","32.404","0.004","90","","90","","90","","2478.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Diiodo-6-[(propylimino)methyl]phenol","","- C10 H11 I2 N O -","- C10 H11 I2 N O -","- C80 H88 I16 N8 O8 -","8","1","SJ5194","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","2,4-Diiodo-6-[(propylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o789","","10.1107/S1600536812005727","","","0.71073","MoKα","","0.0445","0.035","","","0.0969","0.1044","","","","","","1.234","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233998","8.8751","0.0003","8.8751","0.0003","15.9642","0.0005","90","","90","","90","","1257.46","0.07","295","2","295","2","","","","","","","","5","P 43","P 4cw","78","","2-Chloro-N-(3-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","SJ5196","Rodrigues, Vinola Z.; Gowda, B. Thimme; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-N-(3-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","3","o723","","10.1107/S1600536812005739","","","0.71073","MoKα","","0.0528","0.0306","","","0.0663","0.0694","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233999","8.7065","0.0005","11.7982","0.0008","17.5954","0.0012","90","","101.536","0.006","90","","1770.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z)-3-(3-Bromoanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H- pyrazol-4-yl)but-2-en-1-one","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","SJ5199","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","(2Z)-3-(3-Bromoanilino)-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o813","","10.1107/S1600536812006939","","","0.71073","MoKα","","0.0731","0.0465","","","0.0887","0.1051","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234000","7.643","0.002","9.055","0.003","10.876","0.003","84.865","0.002","72.732","0.002","77.479","0.002","701.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-N'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C30 H26 N6 O10 -","2","1","SU2366","Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai","2-Hydroxy-N'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o559","","10.1107/S1600536812002437","","","0.71073","MoKα","","0.0927","0.0508","","","0.1121","0.1322","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234001","6.962","0.0014","10.727","0.002","16.932","0.003","90","","90","","90","","1264.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R*,5R*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","SU2367","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4R*,5R*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o558","","10.1107/S1600536812002401","","","0.71073","MoKα","","0.0529","0.0407","","","0.1259","0.1352","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234002","9.5035","0.0006","10.7413","0.0006","11.8625","0.0007","114.009","0.001","109.735","0.001","92.857","0.001","1016.2","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol- κO)(propan-2-ol-κO)lanthanate(III)]-di-μ-chlorido]]","","- C12 H27 Cl4 La N2 O2 -","- C12 H27 Cl4 La N2 O2 -","- C24 H54 Cl8 La2 N4 O4 -","2","1","SU2369","Han, Yulun; Dai, Fengrong; Sykes, Andrew G.; May, P. Stanley; Berry, Mary T.; Meng, Qingguo; Lin, Cuikun","catena-Poly[1-butyl-3-methylimidazolium [[dichlorido(methanol-κO)(propan-2-ol-κO)lanthanate(III)]-di-μ-chlorido]]","Acta Crystallographica Section E","2012","68","3","m292","m293","10.1107/S160053681200517X","","","0.71073","MoKα","","0.0258","0.0216","","","0.0473","0.0488","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234003","5.279","0.0011","10.244","0.002","13.834","0.003","69.05","0.03","80.11","0.03","78.79","0.03","681","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(E)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate","","- C14 H18 O4 -","- C14 H18 O4 -","- C28 H36 O8 -","2","1","SU2370","Gu, Shuang-Shuang; Wang, Jun; Pan, Fei; Pang, Na; Wu, Fu-An","(E)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate","Acta Crystallographica Section E","2012","68","3","o557","","10.1107/S1600536812003352","","","0.71073","MoKα","","0.1215","0.0587","","","0.1315","0.1555","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234004","8.3343","0.0003","9.3115","0.0004","13.8699","0.0006","92.896","0.002","104.669","0.002","96.06","0.002","1032.12","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one","","- C24 H15 Cl2 N3 O3 -","- C24 H15 Cl2 N3 O3 -","- C48 H30 Cl4 N6 O6 -","2","1","SU2371","Isloor, Arun M.; Malladi, Shridhar; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o616","o617","10.1107/S1600536812003960","","","0.71073","MoKα","","0.0344","0.0301","","","0.0817","0.0856","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234005","6.581","0.002","10.778","0.003","11.778","0.003","77.945","0.002","87.524","0.002","76.146","0.002","793.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-Methyl-N'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C32 H34 N6 O8 -","2","1","SU2372","Tang, Chun-Bao","(E)-3-Methyl-N'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o602","","10.1107/S1600536812003868","","","0.71073","MoKα","","0.1247","0.0583","","","0.1141","0.1424","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234006","14.778","0.003","11.764","0.003","9.848","0.0019","90","","102.191","0.002","90","","1673.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2-Hydroxy-3,5-diiodobenzylidene)-3-methylbenzohydrazide","","- C15 H12 I2 N2 O2 -","- C15 H12 I2 N2 O2 -","- C60 H48 I8 N8 O8 -","4","1","SU2373","Tang, Chun-Bao","(E)-N'-(2-Hydroxy-3,5-diiodobenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","3","o603","","10.1107/S160053681200387X","","","0.71073","MoKα","","0.1158","0.0688","","","0.1523","0.1746","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234007","19.467","0.003","12.655","0.002","16.138","0.002","90","","90","","90","","3975.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(E)-4-Hydroxy-N'-(2-hydroxy-3,5-diiodobenzylidene)- 3-methoxybenzohydrazide methanol monosolvate","","- C16 H16 I2 N2 O5 -","- C16 H16 I2 N2 O5 -","- C128 H128 I16 N16 O40 -","8","1","SU2374","Li, Xiao-Yan","(E)-4-Hydroxy-N'-(2-hydroxy-3,5-diiodobenzylidene)-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o654","","10.1107/S1600536812004552","","","0.71073","MoKα","","0.057","0.0387","","","0.0823","0.0912","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234008","11.856","0.002","14.116","0.003","8.6263","0.0019","90","","95.193","0.002","90","","1437.8","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Nitro-N'-(3-nitrobenzylidene)benzohydrazide","","- C14 H10 N4 O5 -","- C14 H10 N4 O5 -","- C56 H40 N16 O20 -","4","1","SU2375","Li, Xiao-Yan","(E)-4-Nitro-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o655","","10.1107/S1600536812004540","","","0.71073","MoKα","","0.117","0.0518","","","0.1047","0.1228","","","","","","0.842","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234009","7.627","0.003","11.859","0.002","14.297","0.002","90","","90","","90","","1293.1","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-2-Chloro-N'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","SU2376","Li, Xiao-Yan","(E)-2-Chloro-N'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o709","","10.1107/S1600536812005661","","","0.71073","MoKα","","0.0849","0.0583","","","0.1513","0.1667","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234010","10.32","0.003","14.916","0.004","16.346","0.004","90","","95.158","0.003","90","","2506","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[5-(2-Chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol- 1-yl]ethanone","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","2","SU2378","Guo, Sheng-Hai; Wang, Ji-Liang; Guo, Dong-Qiang; Zhang, Xin-Ying","1-[5-(2-Chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","3","o839","","10.1107/S1600536812007283","","","0.71073","MoKα","","0.0832","0.053","","","0.1345","0.1587","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234011","8.8921","0.0018","9.863","0.002","11.186","0.002","77.62","0.03","81.95","0.03","64.15","0.03","861.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-ium-1-yl)-1,4- dihydroquinoline-3-carboxylate-κ^2^O^3^,O^4^]bis(nitrato- κO)copper(II)","","- C34 H36 Cu F2 N8 O12 -","- C34 H36 Cu F2 N8 O12 -","- C34 H36 Cu F2 N8 O12 -","1","0.5","SU2380","Yang, Juan; Yan, Shi-Wei; Ye, Zhong-Li; Xin, Guang-Hua; Chang, Suo-Cheng","Bis[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ^2^O^3^,O^4^]bis(nitrato-κO)copper(II)","Acta Crystallographica Section E","2012","68","3","m341","m342","10.1107/S1600536812007830","","","0.71073","MoKα","","0.0415","0.0391","","","0.1328","0.1357","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234012","9.324","0.004","9.727","0.004","10.391","0.004","90","","106.305","0.006","90","","904.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bifurazano[3,4-b:3',4'-f]furoxano[3'',4''- d]oxacyclohetpatriene","4,9,12,15-Tetraoxa-3,5,8,10,14,16- hexaazatetracyclo[11.3.0.0^2,6^.0^7,11^]hexadeca- 1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate","","- C6 H2 N6 O6 -","- C6 H2 N6 O6 -","- C24 H8 N24 O24 -","4","1","TK5030","Zhou, Yan-Shui; Wang, Bo-Zhou; Xu, Kang-Zhen","4,9,12,15-Tetraoxa-3,5,8,10,14,16-hexaazatetracyclo[11.3.0.0^2,6^.0^7,11^]hexadeca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate","Acta Crystallographica Section E","2012","68","3","o869","","10.1107/S160053681200774X","","","0.71073","MoKα","","0.0442","0.0364","","","0.0913","0.0972","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234013","9.744","0.005","10.016","0.003","28.84","0.005","90","","90","","90","","2814.7","1.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Benzyl phenyl sulfoxide-κO)chloridotriphenyltin(IV)","","- C31 H27 Cl O S Sn -","- C31 H27 Cl O S Sn -","- C124 H108 Cl4 O4 S4 Sn4 -","4","1","TK5048","Tan, Guo-Xia; Zhang, Chang-Fa","(Benzyl phenyl sulfoxide-κO)chloridotriphenyltin(IV)","Acta Crystallographica Section E","2012","68","3","m304","","10.1107/S1600536812005910","","","0.71069","MoKα","","0.0561","0.0371","","","0.061","0.0666","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234014","15.5047","0.001","7.5136","0.0005","13.9191","0.0009","90","","113.961","0.001","90","","1481.78","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-[1,3,6,8-tetrabromo-7-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane","","- C28 H28 B2 Br4 O4 -","- C28 H28 B2 Br4 O4 -","- C56 H56 B4 Br8 O8 -","2","0.5","TK5049","Chen, Ying; Yu, Wen-tao; Liu, Zhi-qiang; Yu, Ping","4,4,5,5-Tetramethyl-2-[1,3,6,8-tetrabromo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane","Acta Crystallographica Section E","2012","68","3","o771","","10.1107/S1600536812006095","","","0.71073","MoKα","","0.054","0.0351","","","0.0981","0.1087","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234015","8.5674","0.001","12.3664","0.0012","13.2276","0.0013","113.003","0.009","107.686","0.01","95.541","0.009","1191.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tramadolium picrate","[2-hydroxy-3-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium 2,4,6-trinitrophenolate","","- C22 H28 N4 O9 -","- C22 H28 N4 O9 -","- C44 H56 N8 O18 -","2","1","TK5053","Siddaraju, B. P.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","Tramadolium picrate","Acta Crystallographica Section E","2012","68","3","o600","","10.1107/S1600536812004138","","","0.7107","MoKα","","0.0702","0.0519","","","0.1354","0.1512","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234016","7.8262","0.0001","10.9278","0.0001","12.4067","0.0002","113.374","0.001","94.922","0.001","100.295","0.001","943.77","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-6'H,7'H,8'H-spiro[indoline-3,7'- pyrano[3,2-c:5,6-c']di-1-benzopyran]-2,6',8'-trione","","- C26 H12 F N O6 -","- C26 H12 F N O6 -","- C52 H24 F2 N2 O12 -","2","1","TK5055","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Devi Shree, P.; Suresh, J.","5-Fluoro-6'H,7'H,8'H-spiro[indoline-3,7'-pyrano[3,2-c:5,6-c']di-1-benzopyran]-2,6',8'-trione","Acta Crystallographica Section E","2012","68","3","o744","","10.1107/S1600536812006332","","","0.71073","MoKα","","0.0577","0.0449","","","0.1145","0.1243","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234017","31.6873","0.0013","6.5389","0.0002","13.8746","0.0006","90","","111.716","0.002","90","","2670.79","0.18","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Methyl 2-[(2-methylphenoxy)methyl]benzoate","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","TK5056","Isloor, Arun M.; Sankappa Rai, U.; Shetty, Prakash; Gerber, Thomas; Hosten, Eric; Betz, Richard","Methyl 2-[(2-methylphenoxy)methyl]benzoate","Acta Crystallographica Section E","2012","68","3","o728","","10.1107/S1600536812005995","","","0.71073","MoKα","","0.0727","0.0436","","","0.0962","0.1077","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234018","21.261","0.004","7.3103","0.0015","6.1322","0.0012","90","","93.59","0.03","90","","951.2","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","4-(p-glycidyloxyphenoxy)-4'-glycidyloxybiphenyl","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","","- C24 H22 O5 -","- C24 H22 O5 -","- C48 H44 O10 -","2","1","TK5057","Song, Tao; Liu, Jin-gang; Yang, Shi-yong","2-(4-{4-[4-(Oxiran-2-ylmethoxy)phenoxy]phenyl}phenoxymethyl)oxirane","Acta Crystallographica Section E","2012","68","3","o719","","10.1107/S1600536812005740","","","0.71073","MoKα","","0.0956","0.0849","","","0.1658","0.1718","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234019","21.1506","0.0015","5.6114","0.0003","17.1219","0.0011","90","","110.336","0.002","90","","1905.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-4-({[(4-methoxyphenyl)sulfanyl](phenyl)methyl}sulfanyl)benzene","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","TK5059","Li, Hongqi; Ramachandran, G.; Sathishkumar, M.; Sathiyanarayanan, K.; Rathore, R. S.","1-Methoxy-4-({[(4-methoxyphenyl)sulfanyl](phenyl)methyl}sulfanyl)benzene","Acta Crystallographica Section E","2012","68","3","o782","","10.1107/S1600536812006320","","","0.71073","MoKα","","0.0756","0.0432","","","0.1079","0.1283","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234020","8.6415","0.0017","10.422","0.002","19.771","0.004","92.18","0.03","94.47","0.03","92.62","0.03","1771.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^N,N'}samarium(III)","","- C36 H30 Cl3 N6 O3 Sm -","- C36 H30 Cl3 N6 O3 Sm -","- C72 H60 Cl6 N12 O6 Sm2 -","2","1","TK5061","Lei, Tao; Chen, Wenqian; Chen, Yanmei; Hu, Bin; Li, Yahong","Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^N,N'}samarium(III)","Acta Crystallographica Section E","2012","68","3","m344","m345","10.1107/S1600536812008100","","","0.71073","MoKα","","0.0331","0.0289","","","0.0635","0.068","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234021","9.913","0.002","16.887","0.003","12.622","0.003","90","","106.72","0.03","90","","2023.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Acetylacetonato-κ^2^O,O')(phthalocyaninato- κ^4^N)(phenanthroline-κ^2^N,N')erbium(III)","","- C49 H31 Er N10 O2 -","- C49 H31 Er N10 O2 -","- C98 H62 Er2 N20 O4 -","2","0.5","VM2147","Li, Hong-Feng; Yan, Peng-Fei","(Acetylacetonato-κ^2^O,O')(phthalocyaninato-κ^4^N)(phenanthroline-κ^2^N,N')erbium(III)","Acta Crystallographica Section E","2012","68","3","m251","","10.1107/S1600536812003972","","","0.71073","MoKα","","0.0555","0.0333","","","0.0672","0.0921","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234022","12.2057","0.0005","11.8169","0.0005","31.8157","0.0015","90","","90","","90","","4588.9","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-((E)-{3-[(E)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","2-((E)-{3-[(E)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","","- C19 H18 I4 N2 O2 -","- C19 H18 I4 N2 O2 -","- C152 H144 I32 N16 O16 -","8","1","VM2150","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","2-((E)-{3-[(E)-2-Hydroxy-3,5-diiodobenzylideneamino]-2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o564","","10.1107/S1600536812003704","","","0.71073","MoKα","","0.1166","0.0436","","","0.0628","0.0794","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234023","6.6942","0.0001","16.058","0.0004","10.9672","0.0003","90","","98.693","0.002","90","","1165.38","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Secohellebrigeninamide","","- C26 H37 N O5 -","- C26 H37 N O4.998 -","- C52 H74 N2 O9.996 -","2","1","VM2153","Yuan, Xiao-Feng; Tian, Hai-Yan; Li, Jin-Hang; Yu, Tong; Jiang, Ren-Wang","Secohellebrigeninamide","Acta Crystallographica Section E","2012","68","3","o682","","10.1107/S160053681200520X","","","1.54184","CuKα","","0.0471","0.0458","","","0.1279","0.1298","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234024","12.8288","0.0014","16.8812","0.0017","31.089","0.003","90","","90","","90","","6732.8","1.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato- κ^4^S,S':S,S'} bis[tricarbonyliron(I)](Fe—Fe)","","- C34 H20 Fe2 N2 O6 S4 -","- C34 H20 Fe2 N2 O6 S4 -","- C272 H160 Fe16 N16 O48 S32 -","8","1","VM2158","Gao, Shang; Jiang, Da-yong; Liang, Qing-cheng; Duan, Qian","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ^4^S,S':S,S'}bis[tricarbonyliron(I)](Fe—Fe)","Acta Crystallographica Section E","2012","68","3","m330","","10.1107/S1600536812007581","","","0.71073","MoKα","","0.0828","0.0431","","","0.095","0.1072","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234025","7.0018","0.0014","10.049","0.002","10.491","0.002","109.83","0.03","103.63","0.03","105.78","0.03","622.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[(1,10-phenanthroline)cobalt(II)]-di-μ-azido]","","- C12 H8 Co N8 -","- C12 H8 Co N8 -","- C24 H16 Co2 N16 -","2","1","VN2030","Gao, Xue-Miao; Zhao, Jiong-Peng; Liu, Fu-Chen","catena-Poly[[(1,10-phenanthroline)cobalt(II)]-di-μ-azido]","Acta Crystallographica Section E","2012","68","3","m318","","10.1107/S1600536812006435","","","0.71073","MoKα","","0.085","0.0522","","","0.091","0.1011","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234026","19.774","0.005","9.774","0.003","24.25","0.006","90","","90","","90","","4687","2","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane- 1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","","- C46 H44 F12 Hg N6 O2 P2 -","- C46 H44 F12 Hg N6 O2 P2 -","- C184 H176 F48 Hg4 N24 O8 P8 -","4","0.5","VN2031","Wang, Jun-Wen; Guo, Yue; Dong, Gui-Ying; Gu, Yu; Bai, Di-Si","{3,3'-Bis[(anthracen-9-yl)methyl]-1,1'-[(ethane-1,2-diyldioxy)bis(ethane-1,2-diyl)]bis(imidazol-2-ylidene)}mercury(II) bis(hexafluoridophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","3","m302","","10.1107/S1600536812005958","","","0.71073","MoKα","","0.1169","0.0652","","","0.1465","0.1688","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234027","4.946","0.0009","4.946","0.0009","36.191","0.009","90","","90","","120","","766.7","0.3","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Didysprosium heptanickel","","- Dy2 Ni7 -","- Dy2 Ni7 -","- Dy12 Ni42 -","6","0.166667","VN2032","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Didysprosium heptanickel","Acta Crystallographica Section E","2012","68","3","i20","","10.1107/S1600536812007611","","","0.71073","MoKα","","0.0581","0.0473","","","0.1111","0.1154","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234028","12.0728","0.001","9.564","0.0008","17.5822","0.0013","90","","111.386","0.005","90","","1890.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc","","- C21 H15 Cl2 N3 Zn -","- C21 H15 Cl2 N3 Zn -","- C84 H60 Cl8 N12 Zn4 -","4","1","WM2584","Ma, Zhen; Liang, Baohuan; Yang, Mei; Lu, Lingjun","Dichlorido(4'-phenyl-2,2':6',2''-terpyridyl)zinc","Acta Crystallographica Section E","2012","68","3","m298","m299","10.1107/S1600536812004862","","","0.71073","MoKα","","0.0372","0.0255","","","0.0601","0.0664","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234029","12.603","0.0005","11.9403","0.0005","14.1977","0.0005","90","","97.717","0.003","90","","2117.17","0.14","119.8","","119.8","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N-(3-aminopropyl)propane-1,3-diamine- κ^3^N,N',N'']cadmium nitrate perchlorate","","- C12 H34 Cd Cl N7 O7 -","- C12 H34 Cd Cl N7 O7 -","- C48 H136 Cd4 Cl4 N28 O28 -","4","1","WM2586","Goudarziafshar, Hamid; Nikoorazm, Mohsen; Abbasityula, Yunes; Eigner, Václav; Dušek, Michal","Bis[N-(3-aminopropyl)propane-1,3-diamine-κ^3^N,N',N'']cadmium nitrate perchlorate","Acta Crystallographica Section E","2012","68","3","m273","m274","10.1107/S1600536812004400","","","1.5418","CuKα","","0.0224","0.0218","","","0.0672","0.0679","","","","","","1.5","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234030","9.4447","0.0011","12.1385","0.0015","13.1309","0.0016","71.447","0.001","83.601","0.002","68.691","0.002","1329.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","Bis[(2-chloro-4-fluorobenzyl)triphenylphosphonium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","- C54 H40 Cl2 F2 N4 Ni P2 S6 -","1","0.5","WM2587","Zeng, Zhou-Hua; Yang, Shui-Bin","Bis[(2-chloro-4-fluorobenzyl)triphenylphosphonium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)","Acta Crystallographica Section E","2012","68","3","m239","m240","10.1107/S1600536812003625","","","0.71073","MoKα","","0.0525","0.0417","","","0.0998","0.1183","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234031","3.9595","0.0003","14.435","0.0013","13.7062","0.0009","90","","90","","90","","783.38","0.11","290","1","290","1","","","","","","","","3","C m c m","-C 2c 2","63","","Hafnium titanium pentatelluride","","- Hf0.78 Te5 Ti0.22 -","- Hf0.781 Te5 Ti0.219 -","- Hf3.124 Te20 Ti0.876 -","4","0.25","WM2588","Yu, Jaemin; Yun, Hoseop","Ti insertion in the MTe~5~ (M = Zr, Hf) structure type: Hf~0.78~Ti~0.22~Te~5~","Acta Crystallographica Section E","2012","68","3","i19","","10.1107/S1600536812006691","","","0.71073","MoKα","","0.0303","0.0287","","","","0.0682","","","","","","1.157","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234032","18.7481","0.0005","18.7481","0.0005","52.4233","0.0012","90","","90","","120","","15957.7","0.7","150","0.2","150","0.2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Tris(tetrabutylammonium) hexakis(tert-butanethiolato-κS)hepta-μ~3~- chlorido-μ~3~-sulfido-hexamolybdate dihydrate","","- C72 H166 Cl7 Mo6 N3 O2 S7 -","- C72 H162 Cl7 Mo6 N3 O2 S7 -","- C432 H972 Cl42 Mo36 N18 O12 S42 -","6","0.166667","WM2589","Petrov, Pavel A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Tris(tetrabutylammonium) hexakis(tert-butanethiolato-κS)hepta-μ~3~-chlorido-μ~3~-sulfido-hexamolybdate dihydrate","Acta Crystallographica Section E","2012","68","3","m333","m334","10.1107/S1600536812007416","","","0.71073","MoKα","","0.0486","0.0383","","","0.117","0.1246","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234033","16.2165","0.0005","13.2474","0.0003","15.5935","0.0003","90","","111.404","0.003","90","","3118.86","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{S-Benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II) monohydrate","","- C30 H30 N6 Ni O S4 -","- C30 H30 N6 Ni O S4 -","- C120 H120 N24 Ni4 O4 S16 -","4","1","WM2591","Omar, Siti Aminah; Ravoof, Thahira B. S. A.; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","{S-Benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","3","m316","m317","10.1107/S1600536812006952","","","0.71073","MoKα","","0.0477","0.0363","","0.0874","0.0808","0.0874","","","","","","0.9739","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234034","14.1266","0.0013","18.8197","0.0017","25.059","0.002","90","","90","","90","","6662.1","1","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methyl-N-{(2Z,4E)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc","","- C38 H42 N4 Zn -","- C38 H42 N4 Zn -","- C304 H336 N32 Zn8 -","8","1","WM2594","Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory","Bis(4-methyl-N-{(2Z,4E)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc","Acta Crystallographica Section E","2012","68","3","m343","","10.1107/S1600536812007878","","","0.71073","MoKα","","0.0435","0.0362","","","0.1044","0.1111","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234035","9.7841","0.0004","9.2116","0.0004","21.2663","0.0008","90","","90","","90","","1916.67","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[(methylsulfanyl)methyl]benzamide","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","WN2467","Khan, Muhammad Riaz; Khan, Azim; Tahir, M. Nawaz; Adeel, Muhammad; Ahmad, Saeed","N-[(Methylsulfanyl)methyl]benzamide","Acta Crystallographica Section E","2012","68","3","o653","","10.1107/S1600536812004515","","","0.71073","MoKα","","0.0596","0.0413","","","0.1066","0.1162","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234036","11.2148","0.0012","12.9835","0.0013","15.9499","0.0017","90","","90","","90","","2322.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C24 H29 N O8 -","- C24 H29 N O8 -","- C96 H116 N4 O32 -","4","1","XU5427","Li, Shang-Ju; Zhang, Rong-Jia; Hou, Guang-Feng; Li, Guang-Ming; Yan, Peng-Fei","Triethylammonium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","Acta Crystallographica Section E","2012","68","3","o651","","10.1107/S1600536812004308","","","0.71073","MoKα","","0.0712","0.0424","","","0.084","0.095","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234037","7.043","0.0014","7.128","0.0014","12.264","0.003","90","","100.3","0.03","90","","605.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Hydroxymethyl)pyridin-3-ol","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","XU5437","He, Xue-Jun; Qiu, Jiang-Kai; Jia, Yu-Chi; Wang, De-Cai; Ou-Yang, Ping-Kai","2-(Hydroxymethyl)pyridin-3-ol","Acta Crystallographica Section E","2012","68","3","o722","","10.1107/S1600536812002759","","","0.71073","MoKα","","0.0431","0.0355","","","0.1273","0.1362","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234038","31.431","0.006","9.323","0.0019","25.079","0.005","90","","111.24","0.03","90","","6850","3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile hemihydrate","","- C18 H18 Cl N2 O2.5 -","- C18 H18 Cl N2 O2.5 -","- C288 H288 Cl16 N32 O40 -","16","2","XU5439","Hu, Xiao-Lei; Wang, Zhong-Xia; Wang, Fang-Ming; Han, Guang-Fan","2-Amino-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile hemihydrate","Acta Crystallographica Section E","2012","68","3","o823","","10.1107/S1600536812003807","","","0.71073","MoKα","","0.0938","0.0572","","","0.1513","0.1677","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234039","3.8257","0.0003","15.0664","0.0009","14.3453","0.0006","90","","95.102","0.005","90","","823.58","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-7-fluoroquinazoline","","- C8 H3 Cl2 F N2 -","- C8 H3 Cl2 F N2 -","- C32 H12 Cl8 F4 N8 -","4","1","XU5446","Gao, Feng; Hu, Yun-Fei; Wang, Jin-Long","2,4-Dichloro-7-fluoroquinazoline","Acta Crystallographica Section E","2012","68","3","o740","","10.1107/S1600536812006125","","","0.71073","MoKα","","0.0549","0.0383","","","0.0832","0.0946","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234040","8.333","0.003","9.526","0.003","17.182","0.006","100.144","0.007","100.741","0.005","102.109","0.005","1276.9","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","2,2'-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol","","- C23 H46 N6 O2 -","- C23 H46 N6 O2 -","- C46 H92 N12 O4 -","2","1","XU5451","Sun, Hong-Hua; Hu, Zhi-Yong; Cao, Duan-Lin","2,2'-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol","Acta Crystallographica Section E","2012","68","3","o618","","10.1107/S1600536812003856","","","0.71073","MoKα","","0.0536","0.035","","","0.0797","0.092","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234041","9.5144","0.001","11.5654","0.0011","11.968","0.0012","109.975","0.009","97.838","0.008","113.197","0.009","1080.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","9-(3-Fluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate monohydrate","","- C22 H17 F4 N O6 S -","- C22 H17 F4 N O6 S -","- C44 H34 F8 N2 O12 S2 -","2","1","XU5452","Trzybiński, Damian; Ożóg, Agnieszka; Krzymiński, Karol; Błażejowski, Jerzy","9-(3-Fluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate monohydrate","Acta Crystallographica Section E","2012","68","3","o625","o626","10.1107/S1600536812003054","","","0.71073","MoKα","","0.1262","0.0507","","","0.1117","0.1286","","","","","","0.806","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234042","15.7586","0.0006","7.0694","0.0002","12.7167","0.0006","90","","113.037","0.005","90","","1303.71","0.1","135","1","135","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Chlorophenyl 2-oxo-2H-chromene-3-carboxylate","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C64 H36 Cl4 O16 -","4","1","XU5453","Guo, Xiao-Qiang; Yan, Jun; Gan, Ya; Song, Qin; Gou, Xiao-Jun","4-Chlorophenyl 2-oxo-2H-chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","3","o574","","10.1107/S1600536812003376","","","0.7107","MoKα","","0.0584","0.0401","","","0.0823","0.0923","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234043","12.762","0.002","7.9495","0.001","22.218","0.003","90","","90","","90","","2254","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","XU5454","Mosslemin, Mohammad Hossein","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","Acta Crystallographica Section E","2012","68","3","o583","","10.1107/S1600536812003455","","","0.71073","MoKα","","0.1431","0.0831","","","","0.1394","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234044","14.3852","0.0007","9.6487","0.0005","17.428","0.0009","90","","105.77","0.001","90","","2327.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^O^1^:O^2^,O^2'^:O^4^)dysprosium(III)] dihydrate]","","- C20 H19 Dy N2 O11 S -","- C20 H19 Dy N2 O11 S -","- C80 H76 Dy4 N8 O44 S4 -","4","1","XU5457","Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng","Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^O^1^:O^2^,O^2'^:O^4^)dysprosium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","3","m241","","10.1107/S1600536812003613","","","0.71073","MoKα","","0.0389","0.0366","","","0.0909","0.0931","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234045","9.842","0.003","13.448","0.004","14.061","0.004","109.94","0.015","96.937","0.016","104.182","0.015","1653","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-{4-[(E)-(2-Hydroxyphenyl)iminomethyl]phenoxy}benzene-1,2-dicarbonitrile","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","2","XU5458","Tuncer, Hülya; Görgülü, Ahmet Orhan; Hökelek, Tuncer","4-{4-[(E)-(2-Hydroxyphenyl)iminomethyl]phenoxy}benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o565","o566","10.1107/S1600536812003649","","","0.71073","MoKα","","0.1258","0.0523","","","0.1107","0.1482","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234046","7.9853","0.0007","8.395","0.0007","12.4416","0.0011","89.308","0.007","74.436","0.007","71.568","0.007","759.82","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","XU5460","Gültekin, Zeynep; Bolte, Michael; Hökelek, Tuncer","Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o606","","10.1107/S1600536812003650","","","0.71073","MoKα","","0.0545","0.0491","","","0.1179","0.1212","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234047","10.514","0.002","10.7","0.002","34.002","0.007","82.32","0.03","89.43","0.03","88.67","0.03","3789.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","4","XU5461","Zhao, Qun","1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","3","o812","","10.1107/S160053681200459X","","","0.71073","MoKα","","0.2068","0.0826","","","0.1511","0.1922","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234048","12.066","0.002","8.6178","0.0017","21.386","0.006","90","","122.02","0.02","90","","1885.4","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-(Phenylmethylene)dinaphthalen-2-ol","","- C27 H20 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","XU5462","Zheng, Wen-Ni","1,1'-(Phenylmethylene)dinaphthalen-2-ol","Acta Crystallographica Section E","2012","68","3","o614","","10.1107/S1600536812004163","","","0.71073","MoKα","","0.0871","0.0564","","","0.1266","0.1416","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234049","7.3626","0.0002","12.1382","0.0003","12.1789","0.0003","67.165","0.002","74.192","0.003","88.921","0.003","960.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(μ-3-hydroxybenzoato- κ^3^O^1^,O^1'^:O^3^)(μ-3-hydroxybenzoato- κ^3^O^1^,O^1'^:O^1^)(isonicotinamide- κN^1^)lead(II)] monohydrate]","","- C20 H18 N2 O8 Pb -","- C20 H18 N2 O8 Pb -","- C40 H36 N4 O16 Pb2 -","2","1","XU5463","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","catena-Poly[[(μ-3-hydroxybenzoato-κ^3^O^1^,O^1'^:O^3^)(μ-3-hydroxybenzoato-κ^3^O^1^,O^1'^:O^1^)(isonicotinamide-κN^1^)lead(II)] monohydrate]","Acta Crystallographica Section E","2012","68","3","m257","m258","10.1107/S1600536812004357","","","0.71073","MoKα","","0.0179","0.017","","","0.0497","0.05","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234050","7.8273","0.0009","10.4827","0.0011","10.5029","0.0012","115.837","0.009","105.655","0.009","96.889","0.008","718.25","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C28 H28 Br2 N2 O8 -","2","1","XU5465","Gültekin, Zeynep; Bolte, Michael; Hökelek, Tuncer","Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","3","o710","o711","10.1107/S1600536812005600","","","0.71073","MoKα","","0.0622","0.0532","","","0.1492","0.1528","","","","","","1.214","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234051","17.917","0.004","7.3094","0.0015","14.093","0.003","90","","90","","90","","1845.7","0.7","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2E,6E)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C80 H56 Cl16 O4 -","4","1","XU5466","Mahdavinia, Gholam Hossein; Mirzazadeh, Maryam; Amani, Vahid; Notash, Behrouz","(2E,6E)-2,6-Bis(2,6-dichlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2012","68","3","o778","","10.1107/S1600536812006629","","","0.71073","MoKα","","0.0338","0.0306","","","0.0697","0.0711","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234052","15.3389","0.0019","6.8791","0.0008","9.6239","0.0011","90","","103.828","0.01","90","","986.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diiodidomercury(II)]-μ~2~-2-aminopyrazine- κ^2^N^1^:N^4^]","","- C4 H5 Hg I2 N3 -","- C4 H5 Hg I2 N3 -","- C16 H20 Hg4 I8 N12 -","4","0.5","XU5467","Shirvan, Sadif A.; Asghariganjeh, Mohammad R.; Aghajeri, Manouchehr; Haydari Dezfuli, Sara; Hossini, Farzaneh","catena-Poly[[diiodidomercury(II)]-μ~2~-2-aminopyrazine-κ^2^N^1^:N^4^]","Acta Crystallographica Section E","2012","68","3","m303","","10.1107/S1600536812006149","","","0.71073","MoKα","","0.0841","0.0833","","","0.2228","0.2236","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234053","14.2158","0.0003","8.9244","0.0002","9.7553","0.0002","90","","99.217","0.002","90","","1221.65","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Oxo-2,4-diphenylbutanenitrile","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","XU5469","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Oxo-2,4-diphenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o736","","10.1107/S1600536812006137","","","1.5418","CuKα","","0.0421","0.0364","","","0.0913","0.0966","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234054","9.573","0.0002","8.7748","0.0002","32.062","0.0007","90","","90","","90","","2693.25","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","XU5470","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o737","","10.1107/S1600536812006290","","","1.5418","CuKα","","0.0436","0.0368","","","0.0946","0.1012","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234055","7.9734","0.0003","11.0788","0.0004","15.9456","0.0006","90","","91.859","0.001","90","","1407.82","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","XU5471","Li, Hong-Qi; Ramachandran, G.; Satheesh, V.; Sathiyanarayanan, K.; Rathore, R. S.","1,1'-[(2-Bromophenyl)methylene]dipyrrolidin-2-one","Acta Crystallographica Section E","2012","68","3","o768","","10.1107/S1600536812006277","","","0.71073","MoKα","","0.0337","0.025","","","0.0549","0.0574","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234056","6.4585","0.0009","8.1999","0.0007","12.5763","0.0011","78.876","0.007","77.228","0.009","72.354","0.009","613.28","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","XU5472","Li, Xing-Yao; Wu, Jin-Long","Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","Acta Crystallographica Section E","2012","68","3","o891","","10.1107/S1600536812008136","","","0.71073","MoKα","","0.0704","0.0494","","","0.1193","0.1346","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234057","8.038","0.003","5.678","0.002","12.656","0.005","90","","105.476","0.004","90","","556.7","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(3R,6R)-6-methyl-2,5-dioxomorpholin-3-yl]- N-(propan-2-yl)acetamide","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","1","YK2036","Lu, De-dai; Zhang, Hu; Luo, Juan; Yang, Li-qiang; Duan, Peng-xue","2-[(3R,6R)-6-Methyl-2,5-dioxomorpholin-3-yl]-N-(propan-2-yl)acetamide","Acta Crystallographica Section E","2012","68","3","o896","","10.1107/S1600536812007945","","","0.71073","MoKα","","0.0436","0.0362","","","0.0818","0.085","","","","","","1.16","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234058","13.969","0.001","9.6591","0.0006","21.026","0.002","90","","90","","90","","2837","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","YK2044","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o888","","10.1107/S1600536812007854","","","0.71073","MoKα","","0.1074","0.062","","","0.1349","0.1524","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234059","11.436","0.0011","9.5925","0.0009","11.5968","0.0011","90","","117.25","0.02","90","","1131","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-2,2-bis(1H-pyrazol-1-yl)cyclopentanone","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","YK2045","Rybakov, Victor B.; Utkina, Anastasia A.; Kurkin, Alexander V.; Yurovskaya, Marina A.","3-Hydroxy-2,2-bis(1H-pyrazol-1-yl)cyclopentanone","Acta Crystallographica Section E","2012","68","3","o844","","10.1107/S1600536812007659","","","0.56085","AgKα","","0.072","0.0459","","","0.1132","0.1237","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234060","14.7568","0.0006","15.4378","0.0006","10.6383","0.0005","90","","90","","90","","2423.54","0.18","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","catena-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^S:N;κ^2^N:S)‒ 1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","","- C15 H28 Cd N4 O6 S3 -","- C15 H28 Cd N4 O6 S3 -","- C60 H112 Cd4 N16 O24 S12 -","4","0.5","ZB2021","Ramesh, V.; Rajarajan, K.; Kumar, K. Sendil; Subashini, A.; NizamMohideen, M.","catena-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^S:N;κ^2^N:S)‒1,4,10,13,16-hexaoxacyclooctadecane (1/1)]","Acta Crystallographica Section E","2012","68","3","m335","m336","10.1107/S1600536812004898","","","0.71073","MoKα","","0.0137","0.0133","","","0.034","0.0344","","","","","","1.093","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234061","7.5424","0.0015","14.422","0.003","9.755","0.002","90","","108.17","0.03","90","","1008.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxyquinolin-1-ium-2-carboxylate monohydrate","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C44 H36 N4 O20 -","4","1","ZJ2053","Wang, Xing; Liu, Chun-Bo; Yan, Yong-Sheng; Wang, Shen-Tang; Zhang, Qing","3-Carboxyquinolin-1-ium-2-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","3","o829","","10.1107/S1600536812006988","","","0.71073","MoKα","","0.0444","0.0355","","","0.0943","0.1005","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234062","14.36","0.004","8.222","0.002","13.176","0.004","90","","105.77","0.003","90","","1497.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[(2,6-dimethylphenyl)iminomethyl]pyridine- κ^2^N,N'}zinc","","- C14 H14 Cl2 N2 Zn -","- C14 H14 Cl2 N2 Zn -","- C56 H56 Cl8 N8 Zn4 -","4","1","ZJ2055","Liu, Xue-hong; Zhao, Li-min; Liu, Feng-shou","Dichlorido{2-[(2,6-dimethylphenyl)iminomethyl]pyridine-κ^2^N,N'}zinc","Acta Crystallographica Section E","2012","68","3","m311","","10.1107/S1600536812006204","","","0.71073","MoKα","","0.043","0.0298","","","0.0636","0.0705","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234063","11.753","0.002","20.081","0.004","7.2012","0.0014","90","","96.273","0.003","90","","1689.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Dimethyl-N^1^,N^4^-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4- dicarboxamide","","- C16 H16 N8 O2 -","- C16 H16 N8 O2 -","- C64 H64 N32 O8 -","4","1","ZJ2056","Rao, Guo-Wu; Guo, Yan-Mei; Shen, Qun","3,6-Dimethyl-N^1^,N^4^-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o702","o703","10.1107/S1600536812005405","","","0.71073","MoKα","","0.0723","0.0611","","","0.173","0.1822","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234064","5.6345","0.0003","6.2244","0.0003","16.3779","0.0009","90","","92.902","0.004","90","","573.66","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(thiophen-2-yl)butane-1,4-dione","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C24 H20 O4 S4 -","2","0.5","ZJ2057","Guo, Wei-Ting; Miao, Zhi-Min; Wang, Yun-Long","1,4-Bis(thiophen-2-yl)butane-1,4-dione","Acta Crystallographica Section E","2012","68","3","o689","o690","10.1107/S1600536812005338","","","0.71073","MoKα","","0.0761","0.0619","","","0.1832","0.2","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234065","15.8335","0.0004","9.2147","0.0002","23.9951","0.0005","90","","109.103","0.001","90","","3308.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'- hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-c]thiazole-6',3''- piperidine]-2(1H),4''-dione","","- C43 H34 N2 O2 S -","- C43 H34 N2 O2 S -","- C172 H136 N8 O8 S4 -","4","1","ZJ2058","Suresh, J.; Vishnupriya, R.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","7'-(Naphthalen-1-yl)-5''-[(naphthalen-2-yl)methylidene]-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthene-1,5'-pyrrolo[1,2-c]thiazole-6',3''-piperidine]-2(1H),4''-dione","Acta Crystallographica Section E","2012","68","3","o858","o859","10.1107/S1600536812007271","","","0.71073","MoKα","","0.0911","0.0458","","","0.0989","0.1177","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234066","8.1815","0.001","10.4039","0.0012","11.0969","0.0013","109.981","0.002","90.107","0.002","104.046","0.002","857.43","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C38 H34 Cl2 N4 O4 -","2","1","ZJ2059","Hao, Ben-Qian; Xu, Wei-Ren; Meng, Fan-Cui; Duan, Gui-Yun","Ethyl 1-(4-chlorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","3","o877","","10.1107/S1600536812007428","","","0.71073","MoKα","","0.0459","0.0388","","","0.0991","0.1069","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234067","10.8587","0.0011","8.3068","0.0009","8.8465","0.0009","90","","99.782","0.002","90","","786.36","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate","","- C12 H18 N4 O6 -","- C12 H18 N4 O6 -","- C24 H36 N8 O12 -","2","0.5","ZL2446","Li, Hui; Su, Peng-Fei; Tong, Jun-Feng; Wang, Bo-Zhou","Diethyl 2,2'-bis(hydroxyimino)-3,3'-(hydrazinediylidene)dibutanoate","Acta Crystallographica Section E","2012","68","3","o842","","10.1107/S1600536812007398","","","0.71073","MoKα","","0.0424","0.0386","","","0.1062","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234068","32.7078","0.0018","32.7078","0.0018","7.4976","0.0006","90","","90","","90","","8020.9","0.9","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","tris(3-nitro-acetylacetonato)cobalt(III)","Tris(3-nitropentane-2,4-dionato-κ^2^O,O')cobalt(III)","","- C15 H18 Co N3 O12 -","- C15 H18 Co N3 O12 -","- C240 H288 Co16 N48 O192 -","16","1","ZL2451","Johnston, Dean H.; Brangham, Jack T.; Rapp, Christopher D.","Tris(3-nitropentane-2,4-dionato-κ^2^O,O')cobalt(III)","Acta Crystallographica Section E","2012","68","3","m312","m313","10.1107/S160053681200668X","","","0.71073","MoKα","","0.0292","0.0258","","","0.0599","0.0613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234069","24.9655","0.001","3.8349","0.0001","26.7584","0.001","90","","115.488","0.005","90","","2312.52","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-{[(4Z)-1,2-Dimethyl-5-oxoimidazol-4-ylidene]methyl}- 4-hydroxybenzonitrile","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","ZL2452","Tsai, Hsing-Yang; Chang, Ming-Jen; Fang, Tzu-Chien; Luo, Ming-Hui; Chen, Kew-Yu","3-{[(4Z)-1,2-Dimethyl-5-oxoimidazol-4-ylidene]methyl}-4-hydroxybenzonitrile","Acta Crystallographica Section E","2012","68","3","o867","o868","10.1107/S1600536812007532","","","0.71073","MoKα","","0.0605","0.0418","","","0.1083","0.1121","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234070","7.666","0.003","7.687","0.003","12.266","0.004","95.499","0.015","105.06","0.014","111.832","0.013","632.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene","","- C12 H19 Cl Te -","- C12 H19 Cl Te -","- C24 H38 Cl2 Te2 -","2","1","ZL2453","Zukerman-Schpector, Julio; Caracelli, Ignez; Guadagnin, Rafael Carlos; Stefani, Hélio A.; Tiekink, Edward R. T.","1-[(Z)-2-Butyltellanyl-1-chloroethenyl]cyclohex-1-ene","Acta Crystallographica Section E","2012","68","3","o854","o855","10.1107/S1600536812007490","","","0.71073","MoKα","","0.0253","0.0232","","","0.0689","0.0693","","","","","","1.171","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234071","11.574","0.006","11.781","0.006","11.877","0.006","91.857","0.009","107.021","0.009","91.917","0.009","1546.2","1.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(2-bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C68 H60 Br4 O12 -","4","2","ZQ2148","Li, Zhe; Wang, Yanan; Peng, Kesong; Chen, Lingzi; Chu, Shenghui","(E)-3-(2-Bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","3","o776","","10.1107/S1600536812006046","","","0.71073","MoKα","","0.0918","0.0488","","","0.1222","0.1345","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234072","9.3308","0.0004","13.6186","0.0006","16.9974","0.0008","90","","100.696","0.001","90","","2122.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-6,6'-dicarboxylato- κ^3^N,N',O^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato- κ^3^N,N',O^6^)rhodium(III)","","- C24 H13 N4 O8 Rh -","- C24 H13 N4 O8 Rh -","- C96 H52 N16 O32 Rh4 -","4","1","ZQ2151","Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan; Hu, Ming","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^N,N',O^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^N,N',O^6^)rhodium(III)","Acta Crystallographica Section E","2012","68","3","m290","m291","10.1107/S1600536812004850","","","0.71073","MoKα","","0.0268","0.0226","","","0.0583","0.061","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234073","12.4406","0.0014","15.5754","0.0018","25.741","0.003","90","","102.332","0.002","90","","4872.7","1","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(Biphenyl-4-yl)propan-2-ol","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","2","ZQ2152","Modau, Eric; Liles, David C.; van Rooyen, Petrus H.","2-(Biphenyl-4-yl)propan-2-ol","Acta Crystallographica Section E","2012","68","3","o580","","10.1107/S1600536812003716","","","0.71073","MoKα","","0.0807","0.0462","","","0.1223","0.1467","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234074","10.1772","0.001","14.2576","0.0014","15.895","0.0016","90","","97.332","0.002","90","","2287.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]- 2,3-dihydro-1H-indol-2-one","","- C23 H34 N4 O4 -","- C23 H34 N4 O4 -","- C92 H136 N16 O16 -","4","1","ZQ2153","Lin, Hui-Hui; Wu, Wei-Yao; Zhang, Jing-Jing; Cao, Sheng-Li","5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-indol-2-one","Acta Crystallographica Section E","2012","68","3","o821","","10.1107/S1600536812007155","","","0.71073","MoKα","","0.1309","0.0557","","","0.1122","0.1405","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234075","11.1878","0.0015","10.5349","0.0014","13.5586","0.0018","90","","101.424","0.002","90","","1566.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (E)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","ZS2172","Zhao, Sheng-Yin; Huang, Jing","Ethyl (E)-3-hydroxy-2-[(4-methoxystyryl)carbamoyl]but-2-enoate","Acta Crystallographica Section E","2012","68","3","o798","","10.1107/S1600536812006538","","","0.71073","MoKα","","0.0511","0.0425","","","0.1143","0.122","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234076","9.4424","0.0001","9.4424","0.0001","24.7343","0.0005","90","","90","","90","","2205.28","0.06","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C80 H120 N8 O40 -","8","1","ZS2175","Knizhnikov, Volodymyr; Gorichko, Marian; Voitenko, Zoya","3-Carbamoyl-2,2-dimethylcyclopentane-1,1-dicarboxylic acid","Acta Crystallographica Section E","2012","68","3","o725","","10.1107/S1600536812005636","","","0.71073","MoKα","","0.0431","0.037","","","0.0963","0.0993","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234077","11.2611","0.0008","8.6686","0.0007","18.0976","0.0012","90","","105.266","0.008","90","","1704.3","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-3-[(3-Chloroanilino)(4-chlorophenyl)methyl]thian-4-one","","- C18 H17 Cl2 N O S -","- C18 H17 Cl2 N O S -","- C72 H68 Cl8 N4 O4 S4 -","4","1","ZS2176","Harms, Klaus; Abaee, M. Saeed; Mojtahedi, Mohammad M.; Mesbah, A. Wahid","rac-3-[(3-Chloroanilino)(4-chlorophenyl)methyl]thian-4-one","Acta Crystallographica Section E","2012","68","3","o646","","10.1107/S1600536812004680","","","0.71073","MoKα","","0.0472","0.0242","","","0.0461","0.0481","","","","","","0.64","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234078","5.4619","0.0012","6.8337","0.0015","12.546","0.003","90","","92.047","0.003","90","","467.98","0.18","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","N-2-hydroxyethyl unsaturated norcantharidin","exo,exo-4-(2-Hydroxyethyl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","ZS2178","Tan, Xue-Jie; Li, Chen-Guang; Xing, Dian-Xiang; Liu, Yun","exo,exo-4-(2-Hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2012","68","3","o866","","10.1107/S160053681200788X","","","0.71073","MoKα","","0.0402","0.0399","","","0.1014","0.1017","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234079","21.618","0.001","11.0561","0.0006","9.3318","0.0005","90","","90","","90","","2230.4","0.2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-[(E)-(4-Methylphenyl)iminomethyl]phenol","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","ZS2179","Jothi, L.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-[(E)-(4-Methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","3","o897","","10.1107/S1600536812007635","","","0.71073","MoKα","","0.05","0.0356","","","0.09","0.0999","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234080","9.6576","0.0001","11.9134","0.0002","13.5395","0.0002","94.038","0.001","101.096","0.001","112.61","0.001","1393.13","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15 H10 Br F O2 S -","- C60 H40 Br4 F4 O8 S4 -","4","2","ZS2180","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","3","o750","o751","10.1107/S1600536812005715","","","0.71073","MoKα","","0.0519","0.0351","","","0.0806","0.0873","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234081","11.8364","0.0012","32.598","0.003","3.7306","0.0004","90","","90","","90","","1439.4","0.3","291","2","291","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","","- C7 H6.5 O5.25 -","- C7 H6.5 O5.25 -","- C56 H52 O42 -","8","2","ZS2181","Li, Jin-Hang; Dong, Fu-Yue; Cai, Fang; Yuan, Xiao-Feng; Jiang, Ren-Wang","2,3,4-Trihydroxybenzoic acid 0.25-hydrate","Acta Crystallographica Section E","2012","68","3","o825","o826","10.1107/S160053681200709X","","","0.71073","MoKα","","0.051","0.0358","","","0.0842","0.0904","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234082","9.7843","0.0004","9.8972","0.0003","15.4313","0.0006","72.086","0.002","79.301","0.002","70.5","0.002","1334.57","0.09","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","(Z)-4-(2-Hydroxybenzylidene)-1-methyl-2-phenyl-1H- imidazol-5(4H)-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","ZS2183","Chang, Ming-Jen; Tsai, Hsing-Yang; Fang, Tzu-Chien; Luo, Ming-Hui; Chen, Kew-Yu","(Z)-4-(2-Hydroxybenzylidene)-1-methyl-2-phenyl-1H-imidazol-5(4H)-one","Acta Crystallographica Section E","2012","68","3","o902","o903","10.1107/S1600536812007921","","","0.71073","MoKα","","0.0746","0.037","","","0.0781","0.1009","","","","","","0.802","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234083","7.2229","0.0014","11.874","0.002","11.079","0.002","90","","108.37","0.03","90","","901.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-1H-indole-3-carboxylic acid","","- C9 H6 Br N O2 -","- C9 H6 Br N O2 -","- C36 H24 Br4 N4 O8 -","4","1","AA2041","Zhao, Jing; Wang, Yan","6-Bromo-1H-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","4","o1019","","10.1107/S1600536812006381","","","0.71073","MoKα","","0.1089","0.0625","","","0.1382","0.1577","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234084","26.831","0.005","5.392","0.0011","12.217","0.002","90","","98.05","0.03","90","","1750.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-4-iodo-2-methylaniline","","- C7 H7 Br I N -","- C7 H7 Br I N -","- C56 H56 Br8 I8 N8 -","8","2","AA2048","Liu, Yan-Ju; Dai, Da-Shun","5-Bromo-4-iodo-2-methylaniline","Acta Crystallographica Section E","2012","68","4","o1001","","10.1107/S160053681200921X","","","0.71073","MoKα","","0.0998","0.0598","","","0.1464","0.1628","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234085","10.315","0.0004","11.8104","0.0005","26.1856","0.001","90","","98.629","0.003","90","","3153.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Methoxybenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole","21-[(4-methoxyphenyl)carbonyl]-2,2,7,7,12,12,17,17-octamethyl-21,22,23,24- tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,13,15-tetraene","","- C36 H50 N4 O2 -","- C36 H50 N4 O2 -","- C144 H200 N16 O8 -","4","1","AA2052","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","4-Methoxybenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4]pyrrole","Acta Crystallographica Section E","2012","68","4","o929","o930","10.1107/S1600536812008008","","","0.71073","MoKα","","0.0713","0.0451","","","0.0888","0.0966","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234086","12.0433","0.0004","8.5491","0.0003","14.7841","0.0005","90","","106.395","0.0019","90","","1460.27","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone","","- C15 H10 Br N O4 S -","- C15 H10 Br N O4 S -","- C60 H40 Br4 N4 O16 S4 -","4","1","AA2054","Sattar, Nazia; Siddiqui, Hamid Latif; Siddiqui, Waseeq Ahmad; Akram, Muhammad; Parvez, Masood","(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone","Acta Crystallographica Section E","2012","68","4","o1247","","10.1107/S1600536812013281","","","0.71073","MoKα","","0.073","0.0477","","","0.0924","0.1055","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234087","16.9045","0.0012","8.0547","0.0006","19.3625","0.0014","90","","101.877","0.001","90","","2580","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(2- methoxybenzoato-κ^2^O^1^,O^1'^)cadmium","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","BG2438","Zhang, Heng; Zhao, Pei-Zheng","(2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(2-methoxybenzoato-κ^2^O^1^,O^1'^)cadmium","Acta Crystallographica Section E","2012","68","4","m443","","10.1107/S1600536812010835","","","0.71073","MoKα","","0.0266","0.0227","","","0.0567","0.0597","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234088","7.1996","0.0002","7.1996","0.0002","17.4511","0.0005","90","","90","","90","","904.56","0.04","120","","120","","","","","","","","","3","I -4 2 m","I -4 2","121","6H,13H-5:12,7:14- Dimethanodinaphtho[2,3-d:2,3-i][1,3,6,8]tetraazecine","1,12,14,25- tetraazaheptacyclo[12.12.1.1^12,25^.0^2,11^.0^4,9^.0^15,24^.0^17,22^]octacosa- 2,4(9),5,7,10,15,17(22),18,20,23-decaene","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.125","BG2445","Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","6H,13H-5,12:7,14-Dimethanodinaphtho[2,3-d:2,3-i][1,3,6,8]tetraazecine","Acta Crystallographica Section E","2012","68","4","o1061","","10.1107/S1600536812010185","","","1.5418","CuKα","","0.0274","0.027","","0.0767","0.076","0.0767","","","1.85","","","1.85","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234089","11.573","0.004","19.991","0.007","14.29","0.005","90","","105.903","0.004","90","","3179.5","1.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1H-benzimidazole-κN^3^)bis[2-(naphthalen-1-yl)acetato-\ κ^2^O,O']nickel(II) monohydrate","","- C38 H32 N4 Ni O5 -","- C38 H32 N4 Ni O5 -","- C152 H128 N16 Ni4 O20 -","4","0.5","BG2448","Yin, Fu-Jun; Han, Li-Jun; Hong, Zhao; Xu, Xing-You; Ren, Li","Bis(1H-benzimidazole-κN^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^O,O']nickel(II) monohydrate","Acta Crystallographica Section E","2012","68","4","m416","","10.1107/S1600536812010021","","","0.71073","MoKα","","0.0886","0.0499","","","0.1038","0.1215","","","","","","0.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234090","17.7718","0.0011","5.9088","0.0004","13.6268","0.0008","90","","105.572","0.001","90","","1378.43","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquadi-μ-hydroxido-κ^4^O:O-dinitrato- κ^4^O:O'-bis[3-(pyridin-4-yl-κN)-5-(pyridin-3-yl)- 1,2,4-oxadiazole]dicopper(II)]","","- C24 H22 Cu2 N10 O12 -","- C24 H22 Cu2 N10 O12 -","- C48 H44 Cu4 N20 O24 -","2","0.5","BG2449","Wu, Longfei; Huang, Linxia; Shu, Mouhai","Poly[diaquadi-μ-hydroxido-κ^4^O:O-dinitrato-κ^4^O:O'-bis[3-(pyridin-4-yl-κN)-5-(pyridin-3-yl)-1,2,4-oxadiazole]dicopper(II)]","Acta Crystallographica Section E","2012","68","4","m422","m423","10.1107/S1600536812010355","","","0.71073","MoKα","","0.0511","0.048","","","0.1306","0.1389","","","","","","1.047","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234091","9.6102","0.0004","10.2681","0.0005","12.4154","0.0006","114.149","0.001","90.927","0.001","95.202","0.001","1111.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(8-Aminoquinoline-κ^2^N,N')bis(1,1,1,5,5,5-hexafluoropentane- 2,4-dionato-κ^2^O,O')cobalt(II)","","- C19 H10 Co F12 N2 O4 -","- C19 H10 Co F12 N2 O4 -","- C38 H20 Co2 F24 N4 O8 -","2","1","BG2451","Harding, David J.; Sertphon, Darunee; Harding, Phimphaka","(8-Aminoquinoline-κ^2^N,N')bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^O,O')cobalt(II)","Acta Crystallographica Section E","2012","68","4","m450","","10.1107/S1600536812011312","","","0.71073","MoKα","","0.033","0.0305","","","0.0763","0.0781","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234092","5.8748","0.0007","11.5315","0.0011","22.794","0.003","90","","91.701","0.009","90","","1543.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(4-methylbenzyl)diselane","","- C16 H18 Se2 -","- C16 H18 Se2 -","- C64 H72 Se8 -","4","1","BH2412","Zhou, Mei-Yun; Li, Yi-Qun; Zheng, Wen-Jie","1,2-Bis(4-methylbenzyl)diselane","Acta Crystallographica Section E","2012","68","4","o985","","10.1107/S1600536812007726","","","0.7107","MoKα","","0.0908","0.0514","","","0.0956","0.1114","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234093","7.4993","0.0003","17.1516","0.0007","10.0048","0.0005","90","","96.861","0.004","90","","1277.65","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxy-N-(4-nitrobenzyl)aniline","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","BH2415","Kapoor, Kamini; Gupta, Vivek K.; Kumar, Indresh; Mir, Nisar A.; Kant, Rajni","4-Methoxy-N-(4-nitrobenzyl)aniline","Acta Crystallographica Section E","2012","68","4","o988","","10.1107/S160053681200846X","","","0.71073","MoKα","","0.0742","0.0476","","","0.1127","0.1295","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234094","12.7767","0.001","13.0764","0.001","10.7711","0.0008","90","","90","","90","","1799.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C84 H84 F4 O8 S4 -","4","1","BH2416","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o944","","10.1107/S1600536812008343","","","0.71073","MoKα","","0.0474","0.0414","","","0.0925","0.0958","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234095","14.5299","0.0003","12.9778","0.0002","8.1776","0.0001","90","","92.615","0.001","90","","1540.41","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Chlorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C68 H60 Cl4 O12 S4 -","4","1","BH2417","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o945","","10.1107/S1600536812008355","","","0.71073","MoKα","","0.0441","0.0375","","","0.1003","0.1045","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234096","14.372","0.003","7.6483","0.0015","9.1561","0.0018","90","","106.89","0.03","90","","963","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyclohexylammonium) tetrabromidocuprate(II)","","- C12 H28 Br4 Cu N2 -","- C12 H28 Br4 Cu N2 -","- C24 H56 Br8 Cu2 N4 -","2","0.5","BH2418","Han, Meng Ting","Bis(cyclohexylammonium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2012","68","4","m448","","10.1107/S1600536812011117","","","0.71073","MoKα","","0.0807","0.0469","","","0.0842","0.0948","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234097","7.7592","0.0003","8.0634","0.0004","14.9076","0.0007","94.09","0.004","92.961","0.003","99.326","0.004","916.13","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-Bromobenzoic acid‒6-(4-bromophenyl)-3-methyl-1,2,4- triazolo[3,4-b][1,3,4]thiadiazole (1/1)","","- C17 H12 Br2 N4 O2 S -","- C17 H12 Br2 N4 O2 S -","- C34 H24 Br4 N8 O4 S2 -","2","1","BH2421","Kapoor, Kamini; Gupta, Vivek K.; Paul, Satya; Sahi, Seema; Kant, Rajni","4-Bromobenzoic acid‒6-(4-bromophenyl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole (1/1)","Acta Crystallographica Section E","2012","68","4","o1185","o1186","10.1107/S1600536812012184","","","0.71073","MoKα","","0.0897","0.048","","","0.0957","0.1161","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234098","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-[(S,E)-2-Bromo-1-nitromethyl- 3-phenylallyl]-4-methylcyclohexanone","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","BH2424","Zhao, Long; Wu, Chao; Weng, Wen-Zeng; Yan, Chu-Xia; Xia, Ai-Bao","(2S,4S)-2-[(S,E)-2-Bromo-1-nitromethyl-3-phenylallyl]-4-methylcyclohexanone","Acta Crystallographica Section E","2012","68","4","o1253","","10.1107/S1600536812013098","","","0.71073","MoKα","","0.1088","0.04","","","0.0761","0.106","","","","","","0.909","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234099","3.942","0.0008","9.225","0.0018","21.864","0.004","96.46","0.03","90.34","0.03","90.99","0.03","789.9","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","4-Chloro-N-methylbenzamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","2","BQ2339","Yuan, Juan; Liu, Yan-Ju","4-Chloro-N-methylbenzamide","Acta Crystallographica Section E","2012","68","4","o937","","10.1107/S1600536812008641","","","0.71073","MoKα","","0.1231","0.0683","","","0.161","0.1876","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234100","15.286","0.003","13.61","0.003","11.231","0.002","90","","100.91","0.03","90","","2294.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4-Chloro-2-fluorophenyl)-4-difluoromethyl-3-methyl-1H- 1,2,4-triazol-5(4H)-one","","- C10 H7 Cl F3 N3 O -","- C10 H7 Cl F3 N3 O -","- C80 H56 Cl8 F24 N24 O8 -","8","1","BQ2341","Ren, Dong-mei; Wang, Yong-yi","1-(4-Chloro-2-fluorophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one","Acta Crystallographica Section E","2012","68","4","o1048","","10.1107/S1600536812009452","","","0.71073","MoKα","","0.094","0.0503","","","0.1209","0.1432","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234101","10.3353","0.0018","12.988","0.002","13.955","0.003","69.938","0.003","81.728","0.002","70.722","0.003","1659.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-olato- κ^2^O,O')(methanol-κO)dioxidouranium(VI) methanol monosolvate","","- C36 H34 N4 O8 U -","- C36 H34 N4 O8 U -","- C72 H68 N8 O16 U2 -","2","1","BQ2342","Dehbi, Ouarda; Keraghel, Saida; Bouacida, Sofiane; Benghanem, Fatiha; Ourari, Ali","Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-olato-κ^2^O,O')(methanol-κO)dioxidouranium(VI) methanol monosolvate","Acta Crystallographica Section E","2012","68","4","m457","m458","10.1107/S1600536812011075","","","0.71073","MoKα","","0.0649","0.0453","","","0.0893","0.096","","","","","","0.997","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234102","17.235","0.003","13.419","0.003","15.586","0.003","90","","96.24","0.03","90","","3583.3","1.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-[(5-Carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid","","- C21 H14 O8 -","- C21 H14 O8 -","- C168 H112 O64 -","8","1","BQ2343","Du, Chao; Wu, Wei; Tian, Ge","4,4'-[(5-Carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid","Acta Crystallographica Section E","2012","68","4","o1243","","10.1107/S1600536812012275","","","0.71073","MoKα","","0.0681","0.0456","","","0.1136","0.1214","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234103","5.2738","0.0009","10.978","0.002","12.084","0.002","107.044","0.01","100.776","0.011","97.539","0.01","644.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","BQ2344","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Ghelenji, Safoora; Tahir, Muhammad Nawaz","(E)-3-[(2-Hydroxy-3-methoxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1067","","10.1107/S1600536812010549","","","0.71073","MoKα","","0.14","0.0811","","","0.2038","0.2577","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234104","7.3563","0.0002","10.7448","0.0003","10.9066","0.0003","83.167","0.003","72.779","0.002","77.227","0.002","801.73","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-iodobenzoato-κ^2^O:O')bis[aquacopper(II)]","","- C28 H20 Cu2 I4 O10 -","- C28 H20 Cu2 I4 O10 -","- C28 H20 Cu2 I4 O10 -","1","0.5","BQ2345","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Tetrakis(μ-2-iodobenzoato-κ^2^O:O')bis[aquacopper(II)]","Acta Crystallographica Section E","2012","68","4","m409","m410","10.1107/S1600536812010367","","","0.71073","MoKα","","0.0202","0.0186","","","0.0442","0.0448","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234105","5.9181","0.001","13.492","0.002","17.592","0.003","90","","90","","90","","1404.7","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,2-Dimethylpropanoyl)-N'-(2-methoxyphenyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","BQ2346","Kadir, Maisara A.; Yamin, Bohari M.; Yusof, M. Sukeri M.","N-(2,2-Dimethylpropanoyl)-N'-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1129","","10.1107/S1600536812010914","","","0.71073","MoKα","","0.0885","0.068","","","0.1383","0.1466","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234106","9.787","0.0009","11.059","0.001","12.1151","0.0012","109.448","0.002","104.538","0.002","107.98","0.002","1080.7","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(II) dibromide monohydrate","","- C20 H20 Br2 N6 O Pt -","- C20 H20 Br2 N6 O Pt -","- C40 H40 Br4 N12 O2 Pt2 -","2","1","BQ2347","Ha, Kwang","Bis(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(II) dibromide monohydrate","Acta Crystallographica Section E","2012","68","4","m518","","10.1107/S1600536812013062","","","0.71073","MoKα","","0.0392","0.0292","","","0.0616","0.0694","","","","","","1.053","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234107","14.6192","0.0018","13.2572","0.0016","25.707","0.003","90","","90","","90","","4982.3","1","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","trans-Bis(5-amino-1,3,4-thiadiazol-2-thiolato- κS^2^)bis(triphenylphosphane-κP)palladium(II) dimethyl sulfoxide disolvate hemihydrate","","- C44 H47 N6 O2.5 P2 Pd S6 -","- C44 H46 N6 O2.5 P2 Pd S6 -","- C176 H184 N24 O10 P8 Pd4 S24 -","4","0.5","BR2190","Chontal-Vidal, Felipe; Arroyo-Gómez, Maricela; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","trans-Bis(5-amino-1,3,4-thiadiazol-2-thiolato-κS^2^)bis(triphenylphosphane-κP)palladium(II) dimethyl sulfoxide disolvate hemihydrate","Acta Crystallographica Section E","2012","68","4","m483","m484","10.1107/S1600536812011555","","","0.71073","MoKα","","0.12","0.0567","","","0.1175","0.137","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234108","4.8272","0.0005","32.617","0.004","6.0585","0.0007","90","","105.995","0.001","90","","916.97","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-Diaquabis(L-phenylalaninato- κ^2^N,O)nickel(II)","","- C18 H24 N2 Ni O6 -","- C18 H24 N2 Ni O6 -","- C36 H48 N4 Ni2 O12 -","2","1","BR2191","Ghorbanloo, Massomeh; Shahbakhsh, Nahid; Choquesillo-Lazarte, Duane","trans-Diaquabis(L-phenylalaninato-κ^2^N,O)nickel(II)","Acta Crystallographica Section E","2012","68","4","m446","","10.1107/S160053681201080X","","","0.71073","MoKα","","0.0237","0.0232","","","0.0577","0.058","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234109","6.7055","0.0001","8.9098","0.0002","11.9504","0.0004","103.016","0.002","103.795","0.002","105.729","0.001","634.52","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)","","- C12 H44 N8 Ni2 O10 S2 -","- C12 H44 N8 Ni2 O10 S2 -","- C12 H44 N8 Ni2 O10 S2 -","1","0.5","BR2192","Rusanova, Julia A.","Diaquabis(propane-1,3-diamine)nickel(II) bis(propane-1,3-diamine)disulfatonickelate(II)","Acta Crystallographica Section E","2012","68","4","m400","m401","10.1107/S1600536812009750","","","0.71073","MoKα","","0.0283","0.0239","","","0.0607","0.0627","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234110","10.019","0.002","11.307","0.002","16.403","0.003","103.54","0.03","92.96","0.03","99.77","0.03","1772.3","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","cis-Bis[(4-nitrophenyl)cyanamido-κN^1^]bis(1,10-phenanthroline- κ^2^N,N')nickel(II) methanol monosolvate","","- C39 H28 N10 Ni O5 -","- C39 H28 N10 Ni O5 -","- C78 H56 N20 Ni2 O10 -","2","1","BT5812","Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz","cis-Bis[(4-nitrophenyl)cyanamido-κN^1^]bis(1,10-phenanthroline-κ^2^N,N')nickel(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","4","m417","m418","10.1107/S1600536812009890","","","0.71073","MoKα","","0.0951","0.0605","","","0.125","0.1393","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234111","39.76","0.02","9.952","0.008","7.127","0.005","90","","90","","90","","2820","3","85","2","85","2","","","","","","","","7","P c a 21","P 2c -2ac","29","dihydrochloride fluphenazine dimethanol solvate","1-(2-hydroxyethyl)-4-[3-(2-trifluoromethyl-10H-phenothiazin- 10-yl)propyl]piperazine-1,4-diium dichloride dimethanol disolvate","","- C24 H36 Cl2 F3 N3 O3 S -","- C24 H36 Cl2 F3 N3 O3 S -","- C96 H144 Cl8 F12 N12 O12 S4 -","4","1","BT5828","Petrus, Joanna; Petrus, Rafał; Czarnik-Matusewicz, Bogusława","Fluphenazine dihydrochloride dimethanol solvate","Acta Crystallographica Section E","2012","68","4","o1004","o1005","10.1107/S1600536812008707","","","0.71073","MoKα","","0.1095","0.0836","","","0.1891","0.1973","","","","","","1.187","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234112","7.5022","0.0004","7.8301","0.0004","13.2379","0.0008","75.47","0.003","84.696","0.002","70.935","0.002","711.43","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-(2-Chlorophenyl)-2-[(2-formylphenoxy)methyl]prop-2-enenitrile","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C34 H24 Cl2 N2 O4 -","2","1","BT5830","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(E)-3-(2-Chlorophenyl)-2-[(2-formylphenoxy)methyl]prop-2-enenitrile","Acta Crystallographica Section E","2012","68","4","o934","","10.1107/S1600536812008410","","","0.71073","MoKα","","0.0532","0.0406","","","0.1062","0.1142","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234113","6.2525","0.0003","7.8889","0.0004","14.5049","0.0007","82.828","0.003","87.261","0.002","72.426","0.002","676.69","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(2E,4E)-Ethyl 5-(phenylsulfonyl)penta-2,4-dienoate","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","BT5831","Sankar, Ulaganathan; Sabari, V.; Suresh, G.; Uma, Ramakrishnan; Aravindhan, S.","(2E,4E)-Ethyl 5-(phenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2012","68","4","o1093","","10.1107/S1600536812009907","","","0.71073","MoKα","","0.0508","0.0427","","","0.1412","0.1467","","","","","","1.874","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234114","4.8089","0.0008","10.278","0.001","23.062","0.003","90","","90.69","0.02","90","","1139.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Chloro-3-nitrophenyl)succinamic acid","","- C10 H9 Cl N2 O5 -","- C10 H9 Cl N2 O5 -","- C40 H36 Cl4 N8 O20 -","4","1","BT5832","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Chloro-3-nitrophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","4","o951","","10.1107/S1600536812008720","","","0.71073","MoKα","","0.0962","0.0647","","","0.1507","0.169","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234115","8.0138","0.0003","10.7218","0.0005","28.0174","0.0013","90","","90","","90","","2407.32","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,6R,7S,8R, 10S,11S)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}- 10-hydroxy-4,9-dimethyl-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H33 Cl N2 O5 -","- C25 H33 Cl N2 O5 -","- C100 H132 Cl4 N8 O20 -","4","1","BT5834","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","(1S,2R,3R,6R,7S,8R,10S,11S)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}-10-hydroxy-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","4","o1147","o1148","10.1107/S1600536812011816","","","0.71073","MoKα","","0.061","0.0405","","","0.0928","0.1022","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234116","8.2137","0.0007","14.3714","0.0013","16.6728","0.0015","90","","90","","90","","1968.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(Phenylsulfonyl)-2-(diphenylthiophosphinoyl)propane","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","","- C21 H21 O2 P S2 -","- C21 H21 O2 P S2 -","- C84 H84 O8 P4 S8 -","4","1","BT5837","Gessner, Viktoria H.","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","Acta Crystallographica Section E","2012","68","4","o1045","","10.1107/S1600536812010082","","","0.71073","MoKα","","0.0261","0.0254","","","0.0672","0.0679","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234117","5.9333","0.0008","7.6605","0.0006","22.386","0.003","90","","91.582","0.014","90","","1017.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(Furan-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","BT5838","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-(Furan-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1065","","10.1107/S1600536812010501","","","0.71073","MoKα","","0.0956","0.0807","","","0.2419","0.2511","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234118","7.9314","0.0004","19.2029","0.0017","9.1247","0.0005","90","","96.368","0.005","90","","1381.17","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene","","- C30 H36 N2 O6 -","- C30 H36 N2 O6 -","- C60 H72 N4 O12 -","2","0.5","BT5839","Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner","1,4-Dihexyloxy-2,5-bis(2-nitrophenyl)benzene","Acta Crystallographica Section E","2012","68","4","o1022","","10.1107/S1600536812009944","","","0.71073","MoKα","","0.0579","0.0437","","","0.1119","0.1197","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234119","10.5251","0.0003","15.4352","0.0005","8.2335","0.0002","90","","99.214","0.003","90","","1320.33","0.07","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methylbenzyl)-1H-indole-3-carbaldehyde","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","BT5840","Wu, Yang; Ren, Wen; Wang, Qiang; He, Gu","1-(2-Methylbenzyl)-1H-indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1151","","10.1107/S1600536812010306","","","0.7107","MoKα","","0.0714","0.0466","","","0.1015","0.1171","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234120","9.1633","0.0002","32.372","0.0007","12.9834","0.0004","90","","106.685","0.003","90","","3689.17","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)","2-[1-(4-Methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate) 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione methanol monohydrate","","- C35 H33 Cl5 N2 O12 -","- C35 H33 Cl5 N2 O12 -","- C140 H132 Cl20 N8 O48 -","4","1","BT5841","Dayananda, A. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Narayana, B.","Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)","Acta Crystallographica Section E","2012","68","4","o1037","o1038","10.1107/S1600536812010136","","","1.54184","CuKα","","0.0584","0.0519","","","0.1332","0.1373","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234121","15.0613","0.0008","7.6334","0.0004","16.6354","0.0008","90","","93.522","0.002","90","","1908.94","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C84 H76 N4 O24 -","4","1","BT5842","Kannan, D.; Bakthadoss, M.; Lakshmanan, D.; Murugavel, S.","(E)-Methyl 3-(3,4-dimethoxyphenyl)-2-[(1,3-dioxoisoindolin-2-yl)methyl]acrylate","Acta Crystallographica Section E","2012","68","4","o1107","","10.1107/S1600536812010975","","","0.71073","MoKα","","0.0869","0.0553","","","0.1776","0.1972","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234122","11.1657","0.001","5.0858","0.0004","15.3034","0.0011","90","","111.13","0.009","90","","810.6","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Phenyl-1H-pyrazole-4-carbaldehyde","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","BT5843","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Phenyl-1H-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1088","","10.1107/S1600536812010896","","","0.71073","MoKα","","0.0696","0.0497","","","0.1209","0.1359","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234123","10.1656","0.0003","14.1135","0.0005","12.9372","0.0004","90","","91.547","0.003","90","","1855.45","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline N-oxide","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C96 H88 N8 O4 -","4","1","BT5844","Geffe, Mario; Schollmeyer, Dieter; Detert, Heiner","4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline N-oxide","Acta Crystallographica Section E","2012","68","4","o1106","","10.1107/S1600536812011002","","","1.54178","CuKα","","0.0538","0.0503","","","0.1487","0.1544","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234124","25.573","0.003","25.573","0.003","18.593","0.002","90","","90","","120","","10530","2","123","2","123","2","","","","","","","","6","P 63","P 6c","173","","Di-μ-iodido-bis{[(R)-(+)-2,2'-bis(diphenylphosphanyl)- 1,1'-binaphthyl-κ^2^P,P']copper(I)} 0.67-hydrate","","- C88 H65.33 Cu2 I2 O0.67 P4 -","- C88 H65.32 Cu2 I2 O0.66 P4 -","- C528 H391.92 Cu12 I12 O3.96 P24 -","6","1","BT5845","Volz, Daniel; Nieger, Martin; Bräse, Stefan","Di-μ-iodido-bis{[(R)-(+)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^P,P']copper(I)} 0.67-hydrate","Acta Crystallographica Section E","2012","68","4","m466","m467","10.1107/S1600536812011051","","","0.71073","MoKα","","0.0351","0.0299","","","0.0765","0.0811","","","","","","1.091","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2234125","11.9035","0.0006","10.4472","0.0005","23.7435","0.0012","90","","92.296","0.004","90","","2950.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H11 Cl2 F O2 -","- C16 H11 Cl2 F O2 -","- C128 H88 Cl16 F8 O16 -","8","2","BT5846","Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1163","","10.1107/S1600536812011841","","","0.71073","MoKα","","0.0865","0.0611","","","0.1303","0.1453","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234126","19.856","0.004","7.8491","0.0014","25.338","0.005","90","","95.153","0.002","90","","3933","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(nitrato-κ^2^O,O')[N,N'-1,4- phenylenebis(pyridine-4-carboxamide)-κN^1^](4-{[4-(pyridine-4- carboxamido-κN^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)","","- C36 H29 N12 Nd O16 -","- C36 H29 N12 Nd O16 -","- C144 H116 N48 Nd4 O64 -","4","0.5","BT5847","Zhang, Yun; Hao, Jiao-Jiao; Zhou, Hu","Tetrakis(nitrato-κ^2^O,O')[N,N'-1,4-phenylenebis(pyridine-4-carboxamide)-κN^1^](4-{[4-(pyridine-4-carboxamido-κN^1^)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)","Acta Crystallographica Section E","2012","68","4","m459","","10.1107/S1600536812011397","","","0.71073","MoKα","","0.0336","0.0291","","","0.068","0.0698","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234127","11.1489","0.0002","25.8458","0.0004","12.5941","0.0003","90","","110.263","0.002","90","","3404.43","0.12","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dicarbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κP]biphenyl}hydridorhodium(I) diethyl ether monosolvate","","- C80 H79 O11 P2 Rh -","- C80 H79 O11 P2 Rh -","- C160 H158 O22 P4 Rh2 -","2","1","BT5848","Selent, Detlef; Spannenberg, Anke; Börner, Armin","Dicarbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κP]biphenyl}hydridorhodium(I) diethyl ether monosolvate","Acta Crystallographica Section E","2012","68","4","m488","","10.1107/S1600536812011786","","","0.71073","MoKα","","0.0326","0.0277","","","0.0617","0.0625","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234128","11.5197","0.0006","25.1585","0.0012","11.9564","0.0006","90","","90.719","0.005","90","","3464.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C184 H136 N24 O8 -","8","2","BT5850","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","A second monoclinic polymorph for 3-amino-1-(4-methoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1157","o1158","10.1107/S1600536812011798","","","0.71073","MoKα","","0.0984","0.0599","","","0.1311","0.1558","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234129","3.8754","0.0002","8.7795","0.0005","12.1773","0.0007","97.517","0.005","90.962","0.005","98.689","0.005","405.76","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-[(1-Methyl-1H-pyrrol-2-yl)methylidene]propanedinitrile","","- C9 H7 N3 -","- C9 H7 N3 -","- C18 H14 N6 -","2","1","BT5851","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(1-Methyl-1H-pyrrol-2-yl)methylidene]propanedinitrile","Acta Crystallographica Section E","2012","68","4","o1170","","10.1107/S160053681201197X","","","0.71073","MoKα","","0.0624","0.0445","","","0.1095","0.1242","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234130","33.157","0.004","10.3007","0.0014","20.105","0.003","90","","124.447","0.002","90","","5662.6","1.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate","","- C31 H30 F2 N2 O6 -","- C31 H30 F2 N2 O6 -","- C248 H240 F16 N16 O48 -","8","1","BT5853","Dayananda, A. S.; Yathirajan, H. S.; Flörke, Ulrich","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate","Acta Crystallographica Section E","2012","68","4","o1180","","10.1107/S1600536812012329","","","0.71073","MoKα","","0.0825","0.0468","","","0.1137","0.1378","","","","","","0.856","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234131","13.6219","0.0003","6.8766","0.0002","16.2369","0.0004","90","","96.091","0.002","90","","1512.36","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Dimethylpyrano[2,3-c]pyrazol-6(2H)-one","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","2","BT5857","Shahid, Bilal; Zia-ur-Rehman, Muhammad; Nadeem Arshad, Muhammad; Nazir, Rabia; Şahin, Ertan","3,4-Dimethylpyrano[2,3-c]pyrazol-6(2H)-one","Acta Crystallographica Section E","2012","68","4","o1217","","10.1107/S1600536812012779","","","0.71073","MoKα","","0.0677","0.0414","","","0.1018","0.1169","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234132","7.6338","0.0002","15.5335","0.0004","28.796","0.0007","90","","90","","90","","3414.62","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-4-[(E)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C152 H144 Cl8 N24 O24 -","8","1","BT5858","de Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(E)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1214","o1215","10.1107/S1600536812012755","","","0.71073","MoKα","","0.0429","0.0355","","","0.0962","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234133","7.2541","0.0002","10.0362","0.0002","14.6793","0.0003","100.978","0.001","92.047","0.001","109.043","0.001","986.2","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one","","- C10 H7 N3 O3 -","- C10 H7 N3 O3 -","- C40 H28 N12 O12 -","4","2","BT5859","Ouzidan, Younes; Kandri Rodi, Youssef; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2012","68","4","o1240","","10.1107/S1600536812013177","","","0.71073","MoKα","","0.0804","0.0451","","","0.1217","0.1582","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234134","5.6042","0.0004","19.5147","0.0019","7.0656","0.0005","90","","106.835","0.005","90","","739.61","0.11","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dibromidobis(pyrazine-2-carboxamide-κN^4^)zinc","","- C10 H10 Br2 N6 O2 Zn -","- C10 H10 Br2 N6 O2 Zn -","- C20 H20 Br4 N12 O4 Zn2 -","2","0.5","BT5863","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromidobis(pyrazine-2-carboxamide-κN^4^)zinc","Acta Crystallographica Section E","2012","68","4","m527","","10.1107/S1600536812013335","","","0.71073","MoKα","","0.0583","0.0455","","","0.1058","0.1106","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234135","12.8242","0.0008","7.0696","0.0005","21.5409","0.0014","90","","101.029","0.002","90","","1916.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-olate","","- C18 H17 N5 O7 -","- C18 H17 N5 O7 -","- C72 H68 N20 O28 -","4","1","BV2197","Sridevi, Gunaseelan; Kalaivani, Doraisamyraja","2-Methylpyridinium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate","Acta Crystallographica Section E","2012","68","4","o1044","","10.1107/S1600536812009440","","","0.71073","MoKα","","0.0496","0.0363","","","0.0899","0.0988","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234136","7.591","0.002","11.303","0.004","13.818","0.004","88.155","0.004","87.008","0.004","86.233","0.004","1180.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","2","BV2198","Zhao, Jun-Tao; Qi, Jing-Jing; Zhou, You-Jun; Lv, Jia-Guo; Zhu, Ju","Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1111","","10.1107/S1600536812010653","","","0.71073","MoKα","","0.0705","0.0435","","","0.1078","0.122","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234137","16.3594","0.0008","15.5106","0.0008","8.4686","0.0004","90","","90","","90","","2148.86","0.18","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Br4 Cu N2 O2 -","- C19 H16 Br4 Cu N2 O2 -","- C76 H64 Br16 Cu4 N8 O8 -","4","0.5","BV2199","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","4","m392","","10.1107/S1600536812009397","","","0.71073","MoKα","","0.0786","0.0387","","","0.068","0.078","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234138","9.3473","0.0004","9.4418","0.0004","19.784","0.0007","90","","113.83","0.002","90","","1597.19","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol- 1-yl]ethanone","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","BV2200","Fun, Hoong-Kun; Quah, Ching Kheng; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","4","o1023","","10.1107/S1600536812009439","","","0.71073","MoKα","","0.0448","0.0366","","","0.1022","0.1086","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234139","13.3326","0.0008","13.5487","0.0008","18.1703","0.0011","90","","100.036","0.003","90","","3232","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]- 1-(3,4,5-trimethoxyphenyl)ethane","5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5- trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene","","- C34 H36 Cl2 O7 -","- C34 H36 Cl2 O7 -","- C136 H144 Cl8 O28 -","4","1","BX2396","Fu, Ying; Yuan, Mu; Hu, Xuemei; Yang, Yanshou; Hou, Hongxia","5-{2-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethoxy]ethyl}-1,2,3-trimethoxybenzene","Acta Crystallographica Section E","2012","68","4","o1007","","10.1107/S1600536812008823","","","0.71073","MoKα","","0.0756","0.043","","","0.1008","0.1159","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234140","9.1568","0.001","7.7541","0.0008","17.6764","0.0019","90","","96.266","0.001","90","","1247.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',4'-Dimethoxybiphenyl-4-carbonitrile","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","BX2401","Li, Xin-Min; Hou, Yan-Jun; Mei, Peng; Chu, Wen-Yi; Sun, Zhi-Zhong","3',4'-Dimethoxybiphenyl-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1137","","10.1107/S1600536812011464","","","0.71073","MoKα","","0.0498","0.036","","","0.0961","0.1036","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234141","10.951","0.003","6.678","0.002","5.0329","0.0014","90","","114.25","0.004","90","","335.58","0.17","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","5,5'-(Ethane-1,2-diyl)bis(1H-tetrazole)","","- C4 H6 N8 -","- C4 H6 N8 -","- C8 H12 N16 -","2","0.25","CV5246","Qiao, Cheng-Fang; Zhou, Chun-Sheng; Wei, Qing; Xia, Zheng-Qiang","A new polymorph of 5,5'-(ethane-1,2-diyl)bis(1H-tetrazole)","Acta Crystallographica Section E","2012","68","4","o989","","10.1107/S1600536812008483","","","0.71073","MoKα","","0.0401","0.0372","","","0.0936","0.0975","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234142","7.7503","0.0002","11.7894","0.0003","17.282","0.0004","90","","90","","90","","1579.08","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-N'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","CV5248","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(E)-N'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2012","68","4","o1002","","10.1107/S1600536812009099","","","1.54178","CuKα","","0.0569","0.0486","","","0.1363","0.1452","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234143","17.0813","0.001","14.1248","0.0008","6.19","0.0005","90","","99.669","0.006","90","","1472.25","0.17","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol","","- C18 H12 F3 N O2 -","- C18 H12 F3 N O2 -","- C72 H48 F12 N4 O8 -","4","1","CV5250","Pekdemir, Merve; Şahin, Zarife Sibel; Işık, Şamil; Alaman Ağar, Ayşen; Öztürk Yıldırım, Sema; Butcher, Ray J.","2-[(E)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol","Acta Crystallographica Section E","2012","68","4","o1024","","10.1107/S1600536812009361","","","0.71073","MoKα","","0.0559","0.0487","","","0.125","0.1301","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234144","10.098","0.0004","15.8936","0.0006","10.001","0.0003","90","","112.005","0.002","90","","1488.17","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(phenyliminomethyl)quinoline-N,N']palladium(II)","","- C16 H12 Cl2 N2 Pd -","- C16 H12 Cl2 N2 Pd -","- C64 H48 Cl8 N8 Pd4 -","4","1","CV5251","Motswainyana, William M.; Onani, Martin O.; Madiehe, Abram M.","Dichlorido[2-(phenyliminomethyl)quinoline-N,N']palladium(II)","Acta Crystallographica Section E","2012","68","4","m380","","10.1107/S1600536812009130","","","0.71073","MoKα","","0.053","0.0296","","","0.0578","0.0634","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234145","9.5215","0.0009","14.7867","0.0014","12.8055","0.0012","90","","100.645","0.002","90","","1771.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(Z)-(n-Butylamino)(phenyl)methylidene]-3-methyl- 1-phenyl-1H-pyrazol-5(4H)-one","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","CV5252","Wang, Hai-Wen","4-[(Z)-(n-Butylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","4","o969","","10.1107/S1600536812009166","","","0.71073","MoKα","","0.059","0.04","","","0.0933","0.103","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234146","15.687","0.01","10.485","0.009","8.255","0.004","90","","96.19","0.03","90","","1349.9","1.6","290","2","290","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-c]pyrrole-2-thione","","- C12 H9 N O2 S4 -","- C12 H9 N O2 S4 -","- C48 H36 N4 O8 S16 -","4","0.5","CV5254","Zheng, Ning-Juan; Yin, Bing-Zhu","5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-c]pyrrole-2-thione","Acta Crystallographica Section E","2012","68","4","o1046","","10.1107/S1600536812009622","","","0.71073","MoKα","","0.0323","0.0294","","","0.0828","0.0943","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234147","6.4234","0.0003","9.2394","0.0004","15.8494","0.0007","79.993","0.001","86.689","0.002","66.622","0.001","850.22","0.07","296","1","296","1","","","","","","","","3","P -1","-P 1","2","6,6'-(Pentane-1,1-diyl)bis(5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one)","3,3'-Dihydroxy-6,6'-bis(hydroxymethyl)-2,2'-(pentane-1,1-diyl)di- 4H-pyran-4-one","","- C17 H20 O8 -","- C17 H20 O8 -","- C34 H40 O16 -","2","1","CV5255","Liu, Mu-Song; Hu, Pan-Pan; Zhou, Tao","3,3'-Dihydroxy-6,6'-bis(hydroxymethyl)-2,2'-(pentane-1,1-diyl)di-4H-pyran-4-one","Acta Crystallographica Section E","2012","68","4","o1064","","10.1107/S1600536812010276","","","0.71073","MoKα","","0.0572","0.043","","","0.1078","0.1199","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234148","8.4897","0.0017","8.5777","0.0017","9.3677","0.0019","89.36","0.03","68.27","0.03","65.12","0.03","566.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-Trifluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide","","- C12 H8 F3 N O3 -","- C12 H8 F3 N O3 -","- C24 H16 F6 N2 O6 -","2","1","CV5256","Li, Hong-Da; Yin, Bing-Zhu","2,2,2-Trifluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide","Acta Crystallographica Section E","2012","68","4","o1003","","10.1107/S1600536812009634","","","0.71073","MoKα","","0.068","0.0464","","","0.1325","0.1432","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234149","7.4103","0.0002","15.1916","0.0005","11.6408","0.0004","90","","99.443","0.003","90","","1292.7","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","2","CV5258","Anthal, Sumati; Sambyal, Ambika; Bamzai, R. K.; Kant, Rajni; Gupta, Vivek K.","3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1063","","10.1107/S1600536812010495","","","0.71073","MoKα","","0.0661","0.0429","","","0.0889","0.1001","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234150","13.0928","0.0004","11.6978","0.0003","11.3673","0.0003","90","","99.232","0.003","90","","1718.43","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithioate","","- C19 H17 N O3 S2 -","- C19 H17 N O3 S2 -","- C76 H68 N4 O12 S8 -","4","1","CV5260","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Kour, Gurvinder; Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Kotresh, O.","(2-Oxo-2H-benzo[h]chromen-4-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2012","68","4","o1104","o1105","10.1107/S160053681201094X","","","0.71073","MoKα","","0.0505","0.0382","","","0.0949","0.1036","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234151","14.5826","0.0012","8.5467","0.0008","12.6369","0.001","90","","113.037","0.005","90","","1449.4","0.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5-Bromo-2-hydroxyphenyl)(4-propylcyclohexyl)methanone","","- C16 H21 Br O2 -","- C16 H21 Br O2 -","- C64 H84 Br4 O8 -","4","1","CV5261","Meng, Kang; Cao, Miao; An, Zhuo-Ling; Zhang, Jie; Liu, Li-Hong","(5-Bromo-2-hydroxyphenyl)(4-propylcyclohexyl)methanone","Acta Crystallographica Section E","2012","68","4","o1181","","10.1107/S1600536812011634","","","0.71073","MoKα","","0.0329","0.0284","","","0.0604","0.0622","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234152","8.0528","0.0016","11.683","0.002","21.922","0.004","90","","96.66","0.03","90","","2048.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C100 H80 N8 O20 -","4","1","CV5265","Qin, Lan; Xu, Lan-Ping; Han, Lei","4,4'-Bipyridyl‒4,4'-(hydroxymethylene)dibenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1175","","10.1107/S1600536812011956","","","0.71073","MoKα","","0.1559","0.0774","","","0.171","0.2099","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234153","8.6754","0.0013","15.1114","0.0017","15.629","0.003","92.903","0.016","97.143","0.013","95.515","0.009","2019.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","i>catena-Poly[[bis(μ~3~-5-hydroxyisophthalato)bis(pyrazino[2,3- f][1,10]phenanthroline)dicadmium] dihydrate]","","- C44 H28 Cd2 N8 O12 -","- C44 H28 Cd2 N8 O12 -","- C88 H56 Cd4 N16 O24 -","2","1","DS2166","Zhao, Peng-Cheng","catena-Poly[[bis(μ~3~-5-hydroxyisophthalato)bis(pyrazino[2,3-f][1,10]phenanthroline)dicadmium] dihydrate]","Acta Crystallographica Section E","2012","68","4","m477","m478","10.1107/S1600536812011695","","","0.71073","MoKα","","0.0461","0.0306","","","0.0934","0.1135","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234154","7.4268","0.0012","11.3884","0.0018","39.447","0.006","90","","90","","90","","3336.4","0.9","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","DS2176","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2E)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o974","","10.1107/S1600536812008847","","","0.71073","MoKα","","0.1009","0.0562","","","0.1299","0.1541","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234155","8.69","0.001","15.241","0.001","11.116","0.001","90","","106.847","0.01","90","","1409.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-(Dimethylamino)ethanol-κ^2^N,O][2-(dimethylamino)ethanolato- κ^2^N,O]iodidocopper(II)","","- C8 H21 Cu I N2 O2 -","- C8 H21 Cu I N2 O2 -","- C32 H84 Cu4 I4 N8 O8 -","4","1","DS2178","Buvaylo, Elena A.; Kokozay, Volodymyr N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","[2-(Dimethylamino)ethanol-κ^2^N,O][2-(dimethylamino)ethanolato-κ^2^N,O]iodidocopper(II)","Acta Crystallographica Section E","2012","68","4","m419","m420","10.1107/S1600536812010215","","","0.71069","MoKα","","0.1935","0.0582","","","0.1494","0.2037","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234156","11.447","0.005","7.209","0.006","15.236","0.005","90","","109.313","0.005","90","","1186.5","1.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(propane-1,3-diamine)disaccharinatonickel(II)","Bis(propane-1,3-diamine-κ^2^N,N')bis(1,1,3-trioxo-2,3- dihydro-1λ^6,2^-benzothiazol-2-ido-κN)nickel(II)","","- C20 H28 N6 Ni O6 S2 -","- C20 H28 N6 Ni O6 S2 -","- C40 H56 N12 Ni2 O12 S4 -","2","0.5","DS2179","Kaştaş, Gökhan; Kocabıyık, Can","Bis(propane-1,3-diamine)disaccharinatonickel(II)","Acta Crystallographica Section E","2012","68","4","m425","m426","10.1107/S1600536812010525","","","0.71069","MoKα","","0.037","0.0326","","","0.0964","0.1008","","","","","","0.826","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234157","7.65363","0.00008","10.45169","0.00013","24.7538","0.0003","90","","90.227","0.001","90","","1980.12","0.04","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis,mer-diaquatris(1H-imidazole- κN^3^)(terephthalato-κO)cobalt(II) monohydrate","","- C17 H22 Co N6 O7 -","- C17 H22 Co N6 O7 -","- C68 H88 Co4 N24 O28 -","4","1","DS2181","Benkanoun, Aouaouche; Balegroune, Fadila; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Intra- and supramolecular interactions in cis,mer-diaquatris(1H-imidazole-κN^3^)(terephthalato-κO)cobalt(II) monohydrate","Acta Crystallographica Section E","2012","68","4","m480","m481","10.1107/S1600536812011993","","","0.71073","MoKα","","0.0355","0.0286","","","0.0669","0.0706","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234158","16.191","0.0003","12.9931","0.0003","20.8743","0.0004","90","","109.091","0.001","90","","4149.83","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chlorospiro[indoline-3,7'-6H,7H,8H-pyrano[3,2- c:5,6-c']di[1]benzopyran]-2,6',8'-trione","","- C26 H12 Cl N O6 -","- C26 H12 Cl N O6 -","- C208 H96 Cl8 N8 O48 -","8","2","DS2182","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Kanagalaksmi, S.; Suresh, J.","5-Chlorospiro[indoline-3,7'-6H,7H,8H-pyrano[3,2-c:5,6-c']di[1]benzopyran]-2,6',8'-trione","Acta Crystallographica Section E","2012","68","4","o1172","","10.1107/S1600536812011932","","","0.71073","MoKα","","0.1119","0.079","","","0.1535","0.1639","","","","","","1.161","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234159","18.901","0.003","6.4504","0.001","34.222","0.006","90","","96.77","0.03","90","","4143.2","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate","","- C22 H23 N3 O5 S -","- C22 H23 N3 O5 S -","- C176 H184 N24 O40 S8 -","8","2","EZ2278","Li, Liang; Dai, Yiqiang; Jin, Yun; Yang, Huai; Yang, Zhou","4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o994","","10.1107/S1600536812009300","","","0.71073","MoKα","","0.0928","0.0749","","","0.1632","0.176","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234160","25.7589","0.0016","4.9618","0.0003","12.9205","0.0008","90","","103.648","0.003","90","","1604.75","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chlorobenzohydrazide","","- C7 H7 Cl N2 O -","- C7 H7 Cl N2 O -","- C56 H56 Cl8 N16 O8 -","8","2","EZ2284","Ahmad, Shakeel; Jabbar, Abdul; Hussain, Muhammad Tahir; Tahir, M. Nawaz","2-Chlorobenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1254","","10.1107/S1600536812012640","","","0.71073","MoKα","","0.1176","0.0832","","","0.2002","0.2165","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234161","10.6806","0.0002","12.5869","0.0003","14.2736","0.0003","90","","93.094","0.001","90","","1916.08","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C22 H24 O3 S -","- C22 H24 O3 S -","- C88 H96 O12 S4 -","4","1","FB2242","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o1068","","10.1107/S1600536812010434","","","0.71073","MoKα","","0.0537","0.042","","","0.1091","0.1179","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234162","19.4659","0.0003","8.27808","0.0001","15.8244","0.0002","90","","110.69","","90","","2385.49","0.06","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,8-Bis(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalene","(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)- 2,7-dimethoxynaphthalen-1-yl]methanone","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","FB2243","Muto, Toyokazu; Sasagawa, Kosuke; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","(3,5-Dimethylphenyl)[8-(3,5-dimethylbenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2012","68","4","o1200","","10.1107/S1600536812012202","","","1.54187","CuKα","","0.0419","0.0384","","","0.1142","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234163","7.164","0.001","7.715","0.001","10.446","0.002","88.23","0.01","89.18","0.01","89.68","0.01","577.01","0.16","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","N-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C13 H11 Br N2 O2 -","- C13 H11 Br N2 O2 -","- C26 H22 Br2 N4 O4 -","2","1","FF2058","Xu, Yun-Hua; Long, Sihui","N-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","Acta Crystallographica Section E","2012","68","4","o1134","","10.1107/S1600536812011294","","","0.71073","MoKα","","0.0426","0.0313","","","0.0681","0.072","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234164","9.979","0.002","13.462","0.003","13.9","0.005","90","","128.781","0.019","90","","1455.6","0.8","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(pyridine-κN)[2-(pyridinium-1-yl)acetato-κO]zinc(II)","","- C12 H12 Cl2 N2 O2 Zn -","- C12 H12 Cl2 N2 O2 Zn -","- C48 H48 Cl8 N8 O8 Zn4 -","4","1","FF2059","Qun, Zhang; Jin-Xiang, Chen","Dichlorido(pyridine-κN)[2-(pyridinium-1-yl)acetato-κO]zinc(II)","Acta Crystallographica Section E","2012","68","4","m485","","10.1107/S1600536812011749","","","0.71073","MoKα","","0.0839","0.0725","","","0.2233","0.2334","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234165","20.853","0.007","10.013","0.004","13.893","0.005","90","","94.915","0.006","90","","2890.2","1.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-tert-Butylbenzyl)pyrimidine-2,4(1H,3H)-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","2","FJ2505","Wang, Hong-Sheng; Li, Gong-Chun","1-(4-tert-Butylbenzyl)pyrimidine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2012","68","4","o1047","","10.1107/S1600536812008999","","","0.71073","MoKα","","0.1219","0.0634","","","0.1658","0.2069","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234166","9.1658","0.0001","19.3999","0.0004","12.2762","0.0002","90","","97.891","0.001","90","","2162.23","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimethyl DL-2,3-dibenzyl-2,3-diisothiocyanatosuccinate","Dimethyl 2,3-dibenzyl-2,3-diisothiocyanatobutanedioate","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","FJ2516","Kalinowska-Tłuścik, Justyna; Cież, Dariusz; Peyrat, Sandrine","Dimethyl DL-2,3-dibenzyl-2,3-diisothiocyanatosuccinate","Acta Crystallographica Section E","2012","68","4","o1025","","10.1107/S1600536812009294","","","0.7107","MoKα","","0.0482","0.0368","","","","0.0903","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234167","9.1163","0.0004","10.9161","0.0005","11.2959","0.0005","77.259","0.002","77.364","0.002","88.562","0.002","1069.55","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate","","- C21 H25 N3 O6 S -","- C21 H25 N3 O6 S -","- C42 H50 N6 O12 S2 -","2","1","FJ2520","Abbassi, Najat; Oulemda, Bassou; Rakib, El Mostapha; Geffken, Detlef; Zouihri, Hafid","Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate","Acta Crystallographica Section E","2012","68","4","o931","","10.1107/S1600536812007519","","","0.71073","MoKα","","0.0335","0.0304","","","0.0821","0.0841","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234168","7.9772","0.0007","21.446","0.002","10.3928","0.0007","90","","119.479","0.005","90","","1547.8","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-Bromo-N'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","FJ2521","Horkaew, Jirapa; Chantrapromma, Suchada; Anantapong, Teerasak; Kanjana-Opas, Akkharawit; Fun, Hoong-Kun","(E)-4-Bromo-N'-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","4","o1069","o1070","10.1107/S160053681201032X","","","0.71073","MoKα","","0.031","0.0248","","","0.0626","0.0651","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234169","12.4226","0.0002","13.4414","0.0002","19.2137","0.0003","90","","90","","90","","3208.25","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","","- C15 H17 F6 Fe N2 P -","- C15 H17 F6 Fe N2 P -","- C120 H136 F48 Fe8 N16 P8 -","8","1","FJ2522","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","4","m353","","10.1107/S1600536812008719","","","0.71073","MoKα","","0.0263","0.024","","","0.0621","0.0644","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234170","19.7862","0.0013","5.2801","0.0004","16.9943","0.0011","90","","100.427","0.006","90","","1746.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetramethyl N,N'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane- 1,5-diyl)bis(phosphoramidate)","","- C9 H14 F6 N2 O8 P2 -","- C9 H14 F6 N2 O8 P2 -","- C36 H56 F24 N8 O32 P8 -","4","0.5","FJ2523","Trush, Victor A.; Gubina, Kateryna E.; Gumeniuk, Yaroslav O.; Sliva, Tetyana Yu.; Konovalova, Irina S.","Tetramethyl N,N'-(2,2,3,3,4,4-hexafluoro-1,5-dioxopentane-1,5-diyl)bis(phosphoramidate)","Acta Crystallographica Section E","2012","68","4","o1127","","10.1107/S1600536812011191","","","0.71073","MoKα","","0.059","0.0369","","","0.0965","0.1057","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234171","14.571","0.003","12.58","0.002","9.258","0.002","90","","94.51","0.02","90","","1691.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Disodium tris(dioxidomolybdenum) bis(diarsenate)","","- As4 Mo3 Na2 O20 -","- As4 Mo3 Na2 O20.001 -","- As16 Mo12 Na8 O80.004 -","4","1","FJ2524","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","Disodium tris(dioxidomolybdenum) bis(diarsenate)","Acta Crystallographica Section E","2012","68","4","i24","","10.1107/S1600536812010069","","","0.71073","MoKα","","0.035","0.0252","","","0.0566","0.0596","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234172","9.3605","0.0007","20.6796","0.0015","18.136","0.0015","90","","104.955","0.001","90","","3391.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,6-Bis(diphenylphosphanyl)-2,8-dimethylphenoxathiin dichloromethane monosolvate","","- C39 H32 Cl2 O P2 S -","- C39 H32 Cl2 O P2 S -","- C156 H128 Cl8 O4 P8 S4 -","4","1","FJ2525","Marimuthu, Thashree; Friedrich, Holger B.; Bala, Muhammad D.","4,6-Bis(diphenylphosphanyl)-2,8-dimethylphenoxathiin dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1040","","10.1107/S1600536812009920","","","0.71073","MoKα","","0.0479","0.0361","","","0.0937","0.0997","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234173","5.626","0.0011","8.2749","0.0017","21.593","0.004","90","","91.9","0.03","90","","1004.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium imidazolium dichromate","","- C3 H9 Cr2 N3 O7 -","- C3 H9 Cr2 N3 O7 -","- C12 H36 Cr8 N12 O28 -","4","1","FJ2526","Zhu, Run-Qiang","Ammonium imidazolium dichromate","Acta Crystallographica Section E","2012","68","4","m389","","10.1107/S1600536812009506","","","0.71073","MoKα","","0.0471","0.0365","","","0.0804","0.0848","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234174","12.4143","0.0009","6.7141","0.0005","16.0031","0.001","90","","98.658","0.004","90","","1318.67","0.16","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(3-Methoxybenzylidene)chroman-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","FJ2528","Gopaul, Kaalin; Shaikh, Mahidansha; Ramjugernath, Deresh; Koorbanally, Neil A.; Omondi, Bernard","3-(3-Methoxybenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","4","o1006","","10.1107/S160053681200949X","","","0.71073","MoKα","","0.0642","0.0412","","","0.1013","0.1122","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234175","7.0236","0.0005","12.0644","0.001","32.475","0.002","90","","90","","90","","2751.8","0.3","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4β-Hydroxy-12,13-epoxytrichothec-9-ene","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","FJ2530","Mao, Bi-Zeng; Huang, Chao; Chen, Yu-Zhe; Lv, Zhen-Er; Chen, Shao-Yuan","4β-Hydroxy-12,13-epoxytrichothec-9-ene","Acta Crystallographica Section E","2012","68","4","o1195","","10.1107/S1600536812012408","","","0.71073","MoKα","","0.1007","0.074","","","0.2011","0.2218","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234176","14.845","0.0006","8.098","0.0004","27.391","0.0011","90","","90","","90","","3292.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-Cyclododecylidenepyridine-4-carbohydrazide","","- C18 H27 N3 O -","- C18 H27 N3 O -","- C144 H216 N24 O8 -","8","1","FJ2532","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","N'-Cyclododecylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1205","","10.1107/S1600536812011774","","","1.5418","CuKα","","","0.0395","","","","0.1112","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234177","17.5552","0.0015","6.9773","0.0006","19.6654","0.0017","90","","99.206","0.002","90","","2377.7","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(azido-κN)(di-2-pyridylamine- κ^2^N^2^,N^2^')palladium(II)","","- C10 H9 N9 Pd -","- C10 H9 N9 Pd -","- C80 H72 N72 Pd8 -","8","1","FJ2539","Ha, Kwang","Bis(azido-κN)(di-2-pyridylamine-κ^2^N^2^,N^2'^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m519","","10.1107/S1600536812013074","","","0.71073","MoKα","","0.0424","0.0286","","","0.0652","0.0728","","","","","","1.057","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234178","7.7991","0.0012","13.95","0.002","18.053","0.003","90","","90","","90","","1964.1","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diisopropyl {[(R)-2-(2-Amino-6-chloro-9H-purin-9-yl)- 1-methylethoxy]methyl}phosphonate","","- C15 H25 Cl N5 O4 P -","- C15 H25 Cl N5 O4 P -","- C60 H100 Cl4 N20 O16 P4 -","4","1","FK2051","Zhao, Guobao; He, Xinhua; Zhong, Bohua","Diisopropyl {[(R)-2-(2-amino-6-chloro-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonate","Acta Crystallographica Section E","2012","68","4","o936","","10.1107/S1600536812006757","","","0.7107","MoKα","","0.0298","0.0282","","","0.0655","0.0662","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234179","9.6528","0.0017","11.535","0.002","12.875","0.002","65.211","0.003","72.095","0.004","72.757","0.004","1214.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetylacetonato-κ^2^O,O')carbonyl[tris(4- chlorophenyl)phosphane-κP]rhodium(I)","","- C24 H19 Cl3 O3 P Rh -","- C24 H19 Cl3 O3 P Rh -","- C48 H38 Cl6 O6 P2 Rh2 -","2","1","FK2054","Antonels, Nathan C.; Meijboom, Reinout","(Acetylacetonato-κ^2^O,O')carbonyl[tris(4-chlorophenyl)phosphane-κP]rhodium(I)","Acta Crystallographica Section E","2012","68","4","m509","","10.1107/S1600536812012536","","","0.71073","MoKα","","0.0329","0.0271","","","","0.0629","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234180","6.3531","0.0005","11.0617","0.001","12.1576","0.0011","62.995","0.002","76.446","0.002","75.487","0.002","729.71","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-Nitro-2-[(tricyclo[3.3.1.1^3,7^]decan-1-yliminiumyl)methyl]phenolate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C34 H40 N4 O6 -","2","1","FK2057","Ha, Kwang","4-Nitro-2-{[(tricyclo[3.3.1.1^3,7^]decan-1-yl)iminiumyl]methyl}phenolate","Acta Crystallographica Section E","2012","68","4","o1221","","10.1107/S1600536812012597","","","0.71073","MoKα","","0.1158","0.0525","","","0.1134","0.146","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234181","6.5184","0.0009","8.8273","0.0012","10.6017","0.0014","97.076","0.002","97.074","0.002","93.127","0.002","599.26","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-d~6~ disolvate","","- C24 H14 D12 O6 S2 -","- C24 H14 D12 O6 S2 -","- C24 H14 D12 O6 S2 -","1","0.5","FY2045","Pop, Lucian C.; Preite, Marcelo; Manriquez, Juan Manuel; Vega, Andrés; Chavez, Ivonne","1,1':4',1''-Terphenyl-2',5'-dicarboxylic acid dimethyl sulfoxide-d~6~ disolvate","Acta Crystallographica Section E","2012","68","4","o1192","","10.1107/S1600536812012056","","","0.71073","MoKα","","0.059","0.0491","","","0.1357","0.1451","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234182","7.5582","0.0019","8.024","0.002","13.336","0.004","88.648","0.008","87.42","0.007","74.341","0.004","777.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-oxo-2H-chromen-7-yl 4-methylbenzenesulfonate","","- C17 H14 O5 S -","- C17 H14 O5 S -","- C34 H28 O10 S2 -","2","1","FY2046","Yang, Jian-Xin; Liu, Hong-Yan; Wang, Xiang-Hui","4-Methyl-2-oxo-2H-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1191","","10.1107/S1600536812012238","","","0.71073","MoKα","","0.0582","0.0419","","","0.0927","0.0992","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234183","10.357","0.005","12.787","0.005","12.925","0.005","81.605","0.005","75.561","0.005","68.489","0.005","1539.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato- κ^2^O:O'}bis[(dimethyl sulfoxide-κO)copper(II)](Cu—Cu)","","- C60 H52 Cl8 Cu2 N4 O10 S2 -","- C60 H52 Cl8 Cu2 N4 O10 S2 -","- C60 H52 Cl8 Cu2 N4 O10 S2 -","1","0.5","GG2076","Sayen, Stéphanie; Guillon, Emmanuel","Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-κ^2^O:O'}bis[(dimethyl sulfoxide-κO)copper(II)](Cu—Cu): a binuclear Cu^II^ complex with the non-steroidal anti-inflammatory drug diclofenac","Acta Crystallographica Section E","2012","68","4","m474","m475","10.1107/S160053681201152X","","","0.71073","MoKα","","0.0418","0.0308","","","0.0712","0.0785","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234184","19.3334","0.0019","12.1156","0.0012","20.644","0.002","90","","90","","90","","4835.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl- 5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","","- C23 H27 Cl N6 O3 -","- C23 H27 Cl N6 O3 -","- C184 H216 Cl8 N48 O24 -","8","1","GG2077","Sun, Chuan-Wen; Chen, Yan-Xia; Liu, Tian-Yan","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1146","","10.1107/S1600536812011750","","","0.71073","MoKα","","0.0706","0.0478","","","0.124","0.1353","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234185","9.7304","0.0003","11.3834","0.0004","11.8197","0.0004","114.308","0.003","101.957","0.003","90.127","0.003","1161.62","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dimethyl-4-[(E)-2-(3,6,7-tribromo-9-butyl-9H- carbazol-2-yl)ethenyl]aniline","","- C26 H25 Br3 N2 -","- C26 H25 Br3 N2 -","- C52 H50 Br6 N4 -","2","1","GG2078","Kumar, Sushil; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.","N,N-Dimethyl-4-[(E)-2-(3,6,7-tribromo-9-butyl-9H-carbazol-2-yl)ethenyl]aniline","Acta Crystallographica Section E","2012","68","4","o1121","","10.1107/S1600536812011336","","","1.54184","CuKα","","0.0326","0.0318","","","0.0914","0.0923","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234186","6.48","0.002","7.141","0.002","29.674","0.011","90","","90","","90","","1373.1","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-N-Benzylideneadamantan-1-amine","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","GK2442","Jin, Xu-Dong; Yin, Xue-Yue; Wang, Hai-Bo; Chang, Xiao-Hong; Jin, Yue-Hong","(E)-N-Benzylideneadamantan-1-amine","Acta Crystallographica Section E","2012","68","4","o1130","","10.1107/S1600536812011415","","","0.71073","MoKα","","0.0759","0.0495","","","0.123","0.1399","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234187","9.6722","0.0003","11.9968","0.0004","15.4784","0.0006","82.802","0.002","79.232","0.001","89.653","0.002","1750.24","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N-[4-(4-Methylbenzenesulfonamido)phenylsulfonyl]acetamide","","- C15 H16 N2 O5 S2 -","- C15 H16 N2 O5 S2 -","- C60 H64 N8 O20 S8 -","4","2","GK2456","Hayat, Khizar; Asghar, Muhammad Nadeem; Tahir, M. Nawaz; Shafiq, Muhammad; Ahmad, Dildar","A triclinic polymorph of N-[4-(4-methylbenzenesulfonamido)phenylsulfonyl]acetamide","Acta Crystallographica Section E","2012","68","4","o983","o984","10.1107/S1600536812008616","","","0.71073","MoKα","","0.0859","0.0531","","","0.1324","0.1533","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234188","3.8317","0.0001","14.1366","0.0003","7.0773","0.0002","90","","96.814","0.002","90","","380.65","0.017","294","0.1","294","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Poly[(μ~2~-2-aminopyrimidine-κ^2^N^1^:N^3^)di-μ~2~- chlorido-mercury(II)]","","- C4 H5 Cl2 Hg N3 -","- C4 H5 Cl2 Hg N3 -","- C8 H10 Cl4 Hg2 N6 -","2","0.5","GK2458","Eshtiagh-Hosseini, Hossein; Yousefi, Zakieh; Janiak, Agnieszka","Poly[(μ~2~-2-aminopyrimidine-κ^2^N^1^:N^3^)di-μ~2~-chlorido-mercury(II)]","Acta Crystallographica Section E","2012","68","4","m385","m386","10.1107/S1600536812008793","","","0.71073","MoKα","","0.0237","0.0195","","","0.0474","0.0493","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234189","6.3356","0.0002","16.3222","0.0005","22.0471","0.0007","90","","90","","90","","2279.91","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","GK2459","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","4","o961","","10.1107/S1600536812008914","","","0.71073","MoKα","","0.0612","0.0391","","","0.0933","0.1053","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234190","16.6086","0.0004","8.8344","0.0002","13.033","0.0003","90","","104.064","0.001","90","","1854.97","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C88 H96 O8 S4 -","4","1","GK2461","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o947","","10.1107/S1600536812008409","","","0.71073","MoKα","","0.0528","0.0439","","","0.1206","0.1275","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234191","14.4471","0.0003","14.4471","0.0003","15.8181","0.0003","90","","90","","90","","3301.53","0.12","294","2","294","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Dichloridotetrakis(1H-1,2,4-triazole-κN^4^)copper(II)","","- C8 H12 Cl2 Cu N12 -","- C8 H12 Cl2 Cu N12 -","- C64 H96 Cl16 Cu8 N96 -","8","0.25","GK2463","Vidmar, Maja; Kobal, Tatjana; Kozlevčar, Bojan; Šegedin, Primož; Golobič, Amalija","Dichloridotetrakis(1H-1,2,4-triazole-κN^4^)copper(II)","Acta Crystallographica Section E","2012","68","4","m375","m376","10.1107/S1600536812008872","","","0.71073","MoKα","","0.034","0.0247","","","0.0626","0.0667","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234192","13.868","0.007","16.158","0.008","9.348","0.005","90","","105.947","0.009","90","","2014.1","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^O^1^,O^2^)(1,10- phenanthroline-κ^2^N,N')chromium(III)","","- C19 H12 Cl Cr N4 O8 -","- C19 H12 Cl Cr N4 O8 -","- C76 H48 Cl4 Cr4 N16 O32 -","4","1","GK2465","Meng, Zhao-Hui; Lian, Hui; Zhang, Shu-Shen; Feng, Yu-Quan","Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^O^1^,O^2^)(1,10-phenanthroline-κ^2^N,N')chromium(III)","Acta Crystallographica Section E","2012","68","4","m388","","10.1107/S1600536812009324","","","0.71073","MoKα","","0.107","0.0577","","","0.1342","0.1609","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234193","16.946","0.008","5.449","0.003","17.306","0.011","90","","119.96","0.02","90","","1384.5","1.4","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1,3-Benzothiazol-2-yl)-3-phenyl-2-pyrazoline","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","GK2466","Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin","1-(1,3-Benzothiazol-2-yl)-3-phenyl-2-pyrazoline","Acta Crystallographica Section E","2012","68","4","o1248","","10.1107/S1600536812013219","","","0.71073","MoKα","","0.057","0.0387","","","0.108","0.1159","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234194","6.434","0.0006","6.434","0.0006","25.474","0.002","90","","90","","120","","913.25","0.14","173","2","173","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Bis(adamantan-1-aminium) carbonate","","- C21 H36 N2 O3 -","- C21 H36 N2 O3 -","- C42 H72 N4 O6 -","2","0.166667","GK2467","Nowakowska, Monika; Gamble, Caryn; Levendis, Demetrius C.","Bis(adamantan-1-aminium) carbonate","Acta Crystallographica Section E","2012","68","4","o1159","","10.1107/S1600536812011828","","","0.71069","MoKα","","0.0543","0.042","","","0.1013","0.1072","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234195","10.1623","0.0019","13.292","0.003","6.6488","0.0013","90","","98.486","0.003","90","","888.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-4-(4-Methoxyphenyl)but-3-en-2-one","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","GK2469","Sambyal, Ambika; Kour, Manpreet; Anthal, Sumati; Bamzai, R. K.; Kant, Rajni; Gupta, Vivek K.","(E)-4-(4-Methoxyphenyl)but-3-en-2-one","Acta Crystallographica Section E","2012","68","4","o1183","","10.1107/S1600536812012214","","","0.71073","MoKα","","0.0682","0.0625","","","0.1402","0.1496","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234196","28.398","0.0014","4.1768","0.0002","20.2635","0.0011","90","","122.651","0.002","90","","2023.69","0.18","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-Acetyl-1-(3-chlorophenyl)thiourea","","- C9 H9 Cl N2 O S -","- C9 H9 Cl N2 O S -","- C72 H72 Cl8 N16 O8 S8 -","8","1","GK2470","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Raza, M. Asam","3-Acetyl-1-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1189","","10.1107/S1600536812012147","","","0.71073","MoKα","","0.0446","0.034","","","0.099","0.1085","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234197","5.8692","0.0005","5.8692","0.0005","50.637","0.005","90","","90","","90","","1744.3","0.3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","","- C19 H22 N2 S -","- C19 H22 N2 S -","- C76 H88 N8 S4 -","4","0.5","GK2471","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran","1,3-Bis(1-phenylethyl)imidazolidine-2-thione","Acta Crystallographica Section E","2012","68","4","o1188","","10.1107/S160053681201224X","","","0.71073","MoKα","","0.106","0.0698","","","0.1534","0.1704","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234198","10.8924","0.0006","16.774","0.0009","10.9631","0.0006","90","","102.254","0.001","90","","1957.42","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(N,N- dimethylacetamide)terbium(III)]","","- C17 H21 N2 O8 Tb -","- C17 H21 N2 O8 Tb -","- C68 H84 N8 O32 Tb4 -","4","1","GO2045","Liu, Kun","Poly[(μ~4~-benzene-1,3,5-tricarboxylato)bis(N,N-dimethylacetamide)terbium(III)]","Acta Crystallographica Section E","2012","68","4","m415","","10.1107/S1600536812010264","","","0.71073","MoKα","","0.0565","0.0336","","","0.062","0.0656","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234199","7.2745","0.0015","9.0962","0.0018","9.4502","0.0019","61.53","0.03","71.18","0.03","82.41","0.03","520.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Trifluoromethyl-1H-benzimidazol-3-ium nitrate","","- C8 H6 F3 N3 O3 -","- C8 H6 F3 N3 O3 -","- C16 H12 F6 N6 O6 -","2","1","GO2046","Liu, Ming-Liang","2-Trifluoromethyl-1H-benzimidazol-3-ium nitrate","Acta Crystallographica Section E","2012","68","4","o1012","","10.1107/S1600536812009415","","","0.71073","MoKα","","0.1435","0.0716","","","0.188","0.2273","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234200","8.7897","0.0018","10.947","0.002","11.458","0.002","92.48","0.03","96.59","0.03","113.34","0.03","1000.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Trifluoromethyl-1H-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1H-benzimidazole‒water (1/1/1)","","- C16 H13 B F10 N4 O -","- C16 H13 B F10 N4 O -","- C32 H26 B2 F20 N8 O2 -","2","1","GO2047","Liu, Ming-Liang","2-Trifluoromethyl-1H-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1H-benzimidazole‒water (1/1/1)","Acta Crystallographica Section E","2012","68","4","o1076","","10.1107/S1600536812010847","","","0.71073","MoKα","","0.1329","0.0656","","","0.1613","0.195","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234201","11.189","0.004","11.571","0.004","16.921","0.006","86.122","0.009","83.605","0.009","84.094","0.01","2162","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","trans-Tetrakis[N-(adamantan-1-yl)pyridine-4- carboxamide]dichloridomanganese(II)‒N-(adamantan-1-yl)pyridine- 4-carboxamide (1/2)","","- C96 H120 Cl2 Mn N12 O6 -","- C96 H120 Cl2 Mn N12 O6 -","- C96 H120 Cl2 Mn N12 O6 -","1","0.5","GW2114","Wang, Ying-Chun","trans-Tetrakis[N-(adamantan-1-yl)pyridine-4-carboxamide]dichloridomanganese(II)‒N-(adamantan-1-yl)pyridine-4-carboxamide (1/2)","Acta Crystallographica Section E","2012","68","4","m408","","10.1107/S1600536812010124","","","0.71073","MoKα","","0.1279","0.0775","","","0.1418","0.1643","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234202","17.921","0.007","18.427","0.007","27.114","0.01","90","","90","","90","","8954","6","296","2","296","2","","","","","","","","6","I b c a","-I 2b 2c","73","","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","","- C25 H25 F N4 O S -","- C25 H25 F N4 O S -","- C400 H400 F16 N64 O16 S16 -","16","1","GW2115","Hu, Hai-Jun; Chen, Hong","7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2012","68","4","o1097","","10.1107/S1600536812010318","","","0.71073","MoKα","","0.0841","0.0693","","","0.181","0.1936","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234203","6.251","0.004","6.179","0.003","10.259","0.006","90","","107.72","0.02","90","","377.5","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","(D-penicillaminato)lead(II)","catena-poly[(μ-2-amino-3-methyl-3-sulfidobutanoato)lead(II)]","","- C5 H9 N O2 Pb S -","- C5 H9 N O2 Pb S -","- C10 H18 N2 O4 Pb2 S2 -","2","1","HB6608","Schell, Adam C.; Parvez, Masood; Jalilehvand, Farideh","Redetermination of (D-penicillaminato)lead(II)","Acta Crystallographica Section E","2012","68","4","m489","m490","10.1107/S1600536812011877","","","0.71073","MoKα","","0.0363","0.0323","","","0.0816","0.0846","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234204","8.1565","0.0016","12.554","0.003","18.411","0.004","90","","101.08","0.03","90","","1850.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(dichloridozinc)-μ-4,4'-bis(1H- imidazol-1-yl)biphenyl-κ^2^N^3^:N^3'^] 0.25-hydrate]","","- C18 H14.5 Cl2 N4 O0.25 Zn -","- C18 H14.5 Cl2 N4 O0.25 Zn -","- C72 H58 Cl8 N16 O Zn4 -","4","1","HB6628","Ning, Yong-Xia; Fan, Wen; Xie, Gang","catena-Poly[[(dichloridozinc)-μ-4,4'-bis(1H-imidazol-1-yl)biphenyl-κ^2^N^3^:N^3'^] 0.25-hydrate]","Acta Crystallographica Section E","2012","68","4","m406","","10.1107/S1600536812009543","","","0.71073","MoKα","","0.0738","0.0519","","","0.0864","0.0923","","","","","","1.161","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234205","13.9632","0.0006","10.9908","0.0005","11.8465","0.0005","90","","90","","90","","1818.04","0.14","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C80 H84 N12 O16 -","4","1","HB6648","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Shivananda, Kammasandra Nanjunda; Isloor, Arun M.","Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o922","o923","10.1107/S1600536812008306","","","0.71073","MoKα","","0.0325","0.0297","","","0.0775","0.0796","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234206","4.628","0.0009","17.245","0.003","17.468","0.004","90","","94.04","0.03","90","","1390.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-[3-cyano-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]acetamide","","- C12 H7 Cl3 N4 O -","- C12 H7 Cl3 N4 O -","- C48 H28 Cl12 N16 O4 -","4","1","HB6649","Li, Ming; Zhu, Jing; Wei, Hong-xia; Wang, Jian-qiang; Guo, Cheng","2-Chloro-N-[3-cyano-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1150","","10.1107/S1600536812008094","","","0.71073","MoKα","","0.0636","0.042","","","0.1236","0.1391","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234207","8.7203","0.0004","14.9342","0.0012","16.409","0.0008","115.598","0.003","104.638","0.002","92.358","0.003","1836.8","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate","","- C38 H54 Br2 N4 O -","- C38 H54 Br2 N4 O -","- C76 H108 Br4 N8 O2 -","2","1","HB6650","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Fun, Hoong-Kun; Arshad, Suhana","3,3'-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate","Acta Crystallographica Section E","2012","68","4","o924","o925","10.1107/S1600536812008331","","","0.71073","MoKα","","0.064","0.0523","","","0.1518","0.161","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234208","10.617","0.002","12.108","0.002","14.652","0.003","90","","95.07","0.03","90","","1876.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[tetrakis(1H-pyrazole-κN^2^)copper(II)]- μ-hexafluoridosilicato-κ^2^F:F']","","- C12 H16 Cu F6 N8 Si -","- C12 H16 Cu F6 N8 Si -","- C48 H64 Cu4 F24 N32 Si4 -","4","0.5","HB6651","Li, Hui; Han, Qiuping; Chai, Xiaochuan; Wang, Jian; Yao, Chenzhong","catena-Poly[[tetrakis(1H-pyrazole-κN^2^)copper(II)]-μ-hexafluoridosilicato-κ^2^F:F']","Acta Crystallographica Section E","2012","68","4","m405","","10.1107/S1600536812009531","","","0.71073","MoKα","","0.0888","0.0585","","","0.0917","0.1006","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234209","5.9426","0.0002","13.4688","0.0005","16.3275","0.0006","91.955","0.003","99.515","0.003","95.834","0.003","1280.47","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2- methylbutanoyl)-4-phenyl-2H-chromen-2-one‒6-[(2E)-3,7- dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl- 2H-chromen-2-one (1/1)","","- C60 H68 O10 -","- C60 H68 O10 -","- C60 H68 O10 -","1","0.5","HB6652","Chan, Gomathi; Awang, Khalijah; Ismail, Nor Hadiani; Ng, Seik Weng; Tiekink, Edward R. T.","6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one‒6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans","Acta Crystallographica Section E","2012","68","4","o939","o940","10.1107/S1600536812008628","","","1.54184","CuKα","","0.0733","0.0657","","","0.1971","0.2083","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234210","10.8081","0.0006","17.6741","0.0012","18.8074","0.0013","90","","101.292","0.005","90","","3523.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1Z,2E)-N'-{2-chloro-1-methyl-2-[2-(4- methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","2","HB6653","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(1Z,2E)-N'-{2-Chloro-1-methyl-2-[2-(4-methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","4","o926","","10.1107/S1600536812008367","","","1.54178","CuKα","","0.0825","0.0498","","","0.1226","0.1367","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234211","6.1219","0.0002","7.6519","0.0003","14.3504","0.0006","89.197","0.001","84.795","0.001","77.983","0.001","654.78","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-Bromo-N-(4-methoxy-2-nitrophenyl)benzamide","","- C14 H11 Br N2 O4 -","- C14 H11 Br N2 O4 -","- C28 H22 Br2 N4 O8 -","2","1","HB6654","Sripet, Weerawat; Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun","4-Bromo-N-(4-methoxy-2-nitrophenyl)benzamide","Acta Crystallographica Section E","2012","68","4","o1234","","10.1107/S1600536812010963","","","0.71073","MoKα","","0.0271","0.0256","","","0.0783","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234212","7.8622","0.0001","8.9073","0.0001","11.0341","0.0001","113.687","0.001","103.419","0.001","95.653","0.001","672.175","0.015","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","N-(4-Chlorobutanoyl)-N'-[2-(trifluoromethyl)phenyl]thiourea","","- C12 H12 Cl F3 N2 O S -","- C12 H12 Cl F3 N2 O S -","- C24 H24 Cl2 F6 N4 O2 S2 -","2","1","HB6655","Yusof, Mohd Sukeri Mohd; Embong, Nur Farhana; Arshad, Suhana; Razak, Ibrahim Abdul","N-(4-Chlorobutanoyl)-N'-[2-(trifluoromethyl)phenyl]thiourea","Acta Crystallographica Section E","2012","68","4","o1029","","10.1107/S1600536812008859","","","0.71073","MoKα","","0.0353","0.0295","","","0.0735","0.0779","","","","","","0.973","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234213","10.054","0.002","16.401","0.003","12.233","0.003","90","","101.946","0.002","90","","1973.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N'-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3- methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)","","- C18 H20 Mo N2 O8 -","- C18 H20 Mo N2 O8 -","- C72 H80 Mo4 N8 O32 -","4","1","HB6656","Wang, Shou-Xing","[N'-(3-Ethoxy-2-oxidobenzylidene)-4-hydroxy-3-methoxybenzohydrazidato](methanol)dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","4","m358","m359","10.1107/S1600536812008549","","","0.71073","MoKα","","0.0707","0.0435","","","0.083","0.0933","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234214","8.2314","0.0016","7.7466","0.0015","14.583","0.003","90","","94.16","0.03","90","","927.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium nitrite","","- C6 H16 N2 O2 -","- C6 H16 N2 O2 -","- C24 H64 N8 O8 -","4","1","HB6657","Wang, Ying-Chun; Jie, Xu","Diisopropylammonium nitrite","Acta Crystallographica Section E","2012","68","4","o986","","10.1107/S1600536812008574","","","0.71073","MoKα","","0.1382","0.0843","","","0.245","0.2848","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234215","6.7918","0.0003","10.8822","0.0004","13.2576","0.0005","109.202","0.001","91.396","0.001","105.087","0.001","886.93","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol- 1-yl]butan-1-one","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C40 H42 Cl2 N4 O4 -","2","1","HB6658","Fun, Hoong-Kun; Quah, Ching Kheng; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one","Acta Crystallographica Section E","2012","68","4","o975","","10.1107/S1600536812009105","","","0.71073","MoKα","","0.0414","0.0348","","","0.0973","0.1039","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234216","11.1189","0.0002","13.0541","0.0002","13.0852","0.0002","117.309","0.001","90.468","0.001","98.558","0.001","1662.48","0.05","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-\ methoxyphenyl)-1-phenyl-1H-pyrazole dioxane monosolvate","","- C41 H38 N4 O3 -","- C41 H38 N4 O3 -","- C82 H76 N8 O6 -","2","1","HB6659","Fun, Hoong-Kun; Arshad, Suhana; Malladi, Shridhar; Isloor, Arun M.; Shivananda, Kammasandra Nanjunda","4-[3-(Biphenyl-4-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole dioxane monosolvate","Acta Crystallographica Section E","2012","68","4","o972","o973","10.1107/S1600536812009117","","","0.71073","MoKα","","0.1101","0.0555","","","0.1051","0.1257","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234217","10.5179","0.0003","12.4857","0.0003","22.7237","0.0006","90","","90","","90","","2984.15","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","","- C12 H14 N4 O4 S -","- C12 H14 N4 O4 S -","- C96 H112 N32 O32 S8 -","8","1","HB6660","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(E)-4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1030","","10.1107/S1600536812009865","","","1.54178","CuKα","","0.0512","0.0445","","","0.1387","0.1442","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234218","11.1623","0.0002","19.7586","0.0003","26.4077","0.0004","90","","90","","90","","5824.26","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","","- C30 H48 Cl N3 O -","- C30 H48 Cl N3 O -","- C240 H384 Cl8 N24 O8 -","8","2","HB6661","Yusufzai, Samina Khan; Osman, Hasnah; Abdul Rahim, Aisyah Saad; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","Acta Crystallographica Section E","2012","68","4","o1056","o1057","10.1107/S1600536812009336","","","0.71073","MoKα","","0.11","0.1035","","","0.2179","0.2214","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234219","4.9387","0.0019","19.7","0.007","21.616","0.008","90","","90","","90","","2103.1","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","1","HB6663","Jia, Chunman; Chen, Shangwen; Yuan, Wenbing","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","Acta Crystallographica Section E","2012","68","4","o1098","","10.1107/S1600536812009518","","","0.71073","MoKα","","0.0669","0.0564","","","0.1569","0.1667","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234220","8.9683","0.0001","11.0323","0.0001","9.3314","0.0001","90","","102.363","0.001","90","","901.848","0.017","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-{[(4-fluorophenyl)sulfonyl]amino}phenyl 4-fluorobenzenesulfonate","4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate","","- C18 H13 F2 N O5 S2 -","- C18 H13 F2 N O5 S2 -","- C36 H26 F4 N2 O10 S4 -","2","0.5","HB6664","Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1094","","10.1107/S1600536812009877","","","0.71073","MoKα","","0.0392","0.0355","","","0.0971","0.0998","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234221","4.891","0.009","6.363","0.013","14.61","0.03","83.54","0.11","82.37","0.11","73.64","0.09","431.1","1.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-chloro-5-nitrobenzamide","","- C7 H6 Cl N3 O3 -","- C7 H6 Cl N3 O3 -","- C14 H12 Cl2 N6 O6 -","2","1","HB6665","Wardell, James L.; Tiekink, Edward R. T.","2-Amino-3-chloro-5-nitrobenzamide","Acta Crystallographica Section E","2012","68","4","o991","","10.1107/S1600536812009142","","","0.71073","MoKα","","0.0965","0.0626","","","0.1512","0.1796","","","","","","0.951","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234222","12.6102","0.0012","7.3497","0.001","26.569","0.004","90","","90","","90","","2462.4","0.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2E)-2-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro- 1H-inden-1-one","","- C17 H12 O3 -","- C17 H12 O3 -","- C136 H96 O24 -","8","1","HB6667","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1015","","10.1107/S1600536812009464","","","0.71073","MoKα","","0.1053","0.0553","","","0.109","0.1355","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234223","7.831","0.0012","9.461","0.002","12.6947","0.0005","94.284","0.011","93.821","0.009","108.499","0.013","885.4","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine 4-oxide dichloromethane monosolvate","","- C17 H16 Cl3 N3 O -","- C17 H16 Cl3 N3 O -","- C34 H32 Cl6 N6 O2 -","2","1","HB6668","Fischer, Andreas","Chlordiazepoxide dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1011","","10.1107/S1600536812009695","","","0.71073","MoKα","","0.0598","0.04","","","0.0938","0.1037","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234224","7.5231","0.0006","11.2338","0.0006","8.5967","0.0006","90","","112.894","0.009","90","","669.3","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-[1-(Thiophen-3-yl)ethylidene]({2-[(E)-[1-(thiophen-3-yl)\ ethylidene]amino]ethyl})amine","N,N'-Bis[(E)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine","","- C14 H16 N2 S2 -","- C14 H16 N2 S2 -","- C28 H32 N4 S4 -","2","0.5","HB6669","Asiri, Abdullah M.; Faidallah, Hassan M.; Khan, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","N,N'-Bis[(E)-1-(thiophen-3-yl)ethylidene]ethane-1,2-diamine","Acta Crystallographica Section E","2012","68","4","o1026","","10.1107/S1600536812009798","","","0.71073","MoKα","","0.0484","0.0387","","","0.0985","0.105","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234225","9.7882","0.001","7.1199","0.0007","22.746","0.003","90","","93.171","0.011","90","","1582.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C20 H13 N3 S -","- C19.996 H13 N3 S -","- C79.984 H52 N12 S4 -","4","1","HB6670","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1027","o1028","10.1107/S1600536812010033","","","0.71073","MoKα","","0.1148","0.0664","","","0.1341","0.1639","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234226","3.9361","0.0002","12.9239","0.0006","17.1019","0.0007","90","","100.197","0.004","90","","856.23","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chloro-4-methylquinolin-2(1H)-one","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C40 H32 Cl4 N4 O4 -","4","1","HB6671","Kassem, Mohamed G.; Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.; Fun, Hoong-Kun; Ooi, Chin Wei","3-Chloro-4-methylquinolin-2(1H)-one","Acta Crystallographica Section E","2012","68","4","o1043","","10.1107/S1600536812009889","","","1.54178","CuKα","","0.043","0.0365","","","0.1017","0.1049","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234227","9.462","0.002","17.03","0.003","20.47","0.002","90","","96.575","0.002","90","","3276.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Fluoro-N'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","","- C19 H15 F N2 O2 -","- C19 H15 F N2 O2 -","- C152 H120 F8 N16 O16 -","8","2","HB6672","Li, He-Bing","2-Fluoro-N'-[(2-methoxynaphthalen-1-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1164","","10.1107/S1600536812011580","","","0.71073","MoKα","","0.1466","0.0637","","","0.1435","0.1877","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234228","13.5339","0.0012","10.4827","0.001","14.9303","0.0013","90","","111.975","0.003","90","","1964.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-5-yl 4-nitrobenzenesulfonate","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C88 H68 N12 O20 S4 -","4","1","HB6674","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-5-yl 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1086","o1087","10.1107/S1600536812010598","","","0.71073","MoKα","","0.0796","0.0686","","","0.1698","0.1788","","","","","","1.191","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234229","19.12","0.009","19.12","0.009","15.421","0.003","90","","90","","90","","5638","4","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","{2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)","","- C13 H17 N2 O3 V -","- C13 H17 N2 O3 V -","- C208 H272 N32 O48 V16 -","16","1","HB6676","Sun, Xin-Zhi","{2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)","Acta Crystallographica Section E","2012","68","4","m476","","10.1107/S1600536812011592","","","0.71073","MoKα","","0.1798","0.0992","","","0.1699","0.2025","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234230","10.021","0.002","15.203","0.003","15.868","0.003","90","","100.54","0.03","90","","2376.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[Bis(4-fluorophenyl)methyl]-4-[2-(2-methylphenoxy)ethyl]piperazine","","- C26 H28 F2 N2 O -","- C26 H28 F2 N2 O -","- C104 H112 F8 N8 O4 -","4","1","HB6677","Dai, Zhao-Hui; Zhong, Yan; Wu, Bin","1-[Bis(4-fluorophenyl)methyl]-4-[2-(2-methylphenoxy)ethyl]piperazine","Acta Crystallographica Section E","2012","68","4","o1077","","10.1107/S1600536812010744","","","0.71073","MoKα","","0.1218","0.063","","","0.157","0.1914","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234231","5.4116","0.0001","25.5513","0.0008","9.8615","0.0003","90","","101.641","0.002","90","","1335.54","0.06","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1- phenylbutan-2-yl]carbamate","","- C28 H33 F N2 O5 S -","- C28 H33 F N2 O5 S -","- C56 H66 F2 N4 O10 S2 -","2","1","HB6679","Moreth, Marcele; de Souza, Marcus V.N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluorobenzenesulfonamido)-3-hydroxy-1-phenylbutan-2-yl]carbamate","Acta Crystallographica Section E","2012","68","4","o1138","o1139","10.1107/S1600536812011440","","","0.71073","MoKα","","0.0547","0.0424","","","0.0956","0.1027","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234232","10.2203","0.0008","9.8883","0.0007","9.1948","0.0008","90","","107.647","0.009","90","","885.51","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Sulfamoylphenyl)hydrazin-1-ium chloride","","- C6 H10 Cl N3 O2 S -","- C6 H10 Cl N3 O2 S -","- C24 H40 Cl4 N12 O8 S4 -","4","1","HB6680","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Sulfamoylphenyl)hydrazin-1-ium chloride","Acta Crystallographica Section E","2012","68","4","o1140","","10.1107/S1600536812011452","","","0.71073","MoKα","","0.0383","0.0314","","","0.0784","0.0841","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234233","12.0827","0.0006","7.7848","0.0003","27.6527","0.0016","90","","90","","90","","2601.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4Z)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","HB6681","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","(4Z)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one","Acta Crystallographica Section E","2012","68","4","o1154","","10.1107/S1600536812011579","","","0.71073","MoKα","","0.0684","0.0438","","","0.0934","0.1088","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234234","15.2631","0.0004","15.2631","","8.0571","0.0004","90","","90","","90","","1877","0.11","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","N-(4-Sulfamoylphenyl)acetamide","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C64 H80 N16 O24 S8 -","8","1","HB6682","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","N-(4-Sulfamoylphenyl)acetamide","Acta Crystallographica Section E","2012","68","4","o1155","","10.1107/S1600536812011701","","","0.71073","MoKα","","0.0381","0.0318","","","0.0751","0.0791","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234235","8.723","0.002","8.921","0.002","11.5","0.003","70.925","0.004","69.94","0.004","77.273","0.004","788.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Amino-2-fluorophenoxy)-7-methoxyquinazolin-6-ol methanol monosolvate","","- C16 H16 F N3 O4 -","- C16 H16 F N3 O4 -","- C32 H32 F2 N6 O8 -","2","1","HB6683","Huang, Wei; Tan, Aimin","4-(4-Amino-2-fluorophenoxy)-7-methoxyquinazolin-6-ol methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1149","","10.1107/S1600536812011725","","","0.71073","MoKα","","0.1136","0.0846","","","0.1805","0.1925","","","","","","1.167","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234236","9.2343","0.0004","8.7162","0.0004","11.0798","0.0005","90","","108.197","0.002","90","","847.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6-Methylideneandrost-4-ene-3,17-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","1","HB6686","Andrade, L. C. R.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Varela, C. L.; Tavares da Silva, E. J.","6-Methylideneandrost-4-ene-3,17-dione","Acta Crystallographica Section E","2012","68","4","o1263","","10.1107/S1600536812013207","","","0.71073","MoKα","","0.0671","0.0398","","","0.0891","0.1002","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234237","5.0444","0.0002","20.7019","0.0009","9.9464","0.0004","90","","95.116","0.002","90","","1034.55","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(2-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","HB6692","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Ahmad, Naeem; Raza, M. Asam","3-Acetyl-1-(2-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1160","","10.1107/S1600536812011658","","","0.71073","MoKα","","0.0468","0.0369","","","0.0848","0.0884","","","","","","1.171","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234238","16.0536","0.0013","4.8173","0.0004","20.6202","0.0015","90","","110.728","0.008","90","","1491.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[5-(Furan-2-yl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide","","- C14 H10 F3 N3 O3 S -","- C14 H10 F3 N3 O3 S -","- C56 H40 F12 N12 O12 S4 -","4","1","HB6693","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-[5-(Furan-2-yl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1168","o1169","10.1107/S1600536812011920","","","0.71073","MoKα","","0.104","0.0691","","","0.1596","0.1888","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234239","8.6628","0.0002","6.3669","0.0001","28.9119","0.0006","90","","96.795","0.001","90","","1583.44","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1-(4-methylphenylsulfonyl)naphtho[2,1-b]furan","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","HB6696","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(4-methylphenylsulfonyl)naphtho[2,1-b]furan","Acta Crystallographica Section E","2012","68","4","o1193","","10.1107/S1600536812012159","","","0.71073","MoKα","","0.0478","0.0402","","","0.1066","0.1128","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234240","8.4054","0.0001","11.3716","0.0001","23.5194","0.0002","90","","92.259","0.001","90","","2246.3","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7'-Phenyl-1',3',5',6',7',7a'-hexahydrodipiro[acenaphthene-1,5'- pyrrolo[1,2-c]thiazole-6',2''-indane]-2,1''(1H)-dione","","- C31 H23 N O2 S -","- C31 H23 N O2 S -","- C124 H92 N4 O8 S4 -","4","1","HB6700","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","7'-Phenyl-1',3',5',6',7',7a'-hexahydrodipiro[acenaphthylene-1,5'-pyrrolo[1,2-c]thiazole-6',2''-indane]-2,1''(1H)-dione","Acta Crystallographica Section E","2012","68","4","o1265","o1266","10.1107/S1600536812013293","","","0.71073","MoKα","","0.0718","0.0506","","","0.1129","0.1237","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234241","9.4041","0.0002","15.9593","0.0004","16.0721","0.0006","90","","96.534","0.003","90","","2396.48","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-(Acetato-κ^2^O,O')(5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^N,N',N'',N''')nickel(II) perchlorate monohydrate","","- C18 H41 Cl N4 Ni O7 -","- C18 H41 Cl N4 Ni O7 -","- C72 H164 Cl4 N16 Ni4 O28 -","4","0.5","HB6703","Roy, Tapashi G.; Palit, Debashis; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T.","cis-(Acetato-κ^2^O,O')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N,N',N'',N''')nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","4","m525","m526","10.1107/S1600536812013232","","","1.54184","CuKα","","0.0712","0.0668","","","0.1586","0.1616","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234242","8.1539","0.0016","8.9944","0.0018","10.084","0.002","87.97","0.03","81.29","0.03","63.15","0.03","651.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-Cyclopentyl-N-(3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","HG5169","Zhang, Tao; McCabe, Tom; Marzec, Bartosz; Frankish, Neil; Sheridan, Helen","N-Cyclopentyl-N-(3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide","Acta Crystallographica Section E","2012","68","4","o958","","10.1107/S160053681200606X","","","0.71073","MoKα","","0.0426","0.0416","","","0.0988","0.0995","","","","","","1.131","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234243","19.878","0.0005","16.935","0.0005","18.806","0.0004","90","","102.916","0.001","90","","6170.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^O,O')carbonyl[tris(naphthalen- 1-yl)phosphane-κP]rhodium(I) acetone hemisolvate","","- C37.5 H31 O3.5 P Rh -","- C37.5 H31 O3.5 P Rh -","- C300 H248 O28 P8 Rh8 -","8","2","HG5181","Ogutu, Hezron; Meijboom, Reinout","(Acetylacetonato-κ^2^O,O')carbonyl[tris(naphthalen-1-yl)phosphane-κP]rhodium(I) acetone hemisolvate","Acta Crystallographica Section E","2012","68","4","m394","","10.1107/S1600536812008148","","","1.54184","CuKα","","0.0295","0.0275","","","","0.0677","","","","","","1.075","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234244","11.339","0.0003","10.3896","0.0003","11.393","0.0003","90","","97.078","0.001","90","","1331.95","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-phenylprop-2-en-1-one","","- C15 H9 Cl2 F O -","- C14.994 H9 Cl2 F O -","- C59.976 H36 Cl8 F4 O4 -","4","1","HG5184","Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; Hosten, Eric; Betz, Richard","(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1085","","10.1107/S1600536812010574","","","0.71073","MoKα","","0.0535","0.043","","","0.1014","0.1109","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234245","23.0007","0.0008","6.6712","0.0002","13.5967","0.0005","90","","92.566","0.002","90","","2084.22","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]- 3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","0.5","HG5185","Wardell, Solange M. S. V.; Howie, Alan H.; Tiekink, Edward R. T.; Wardell, James L.","4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one","Acta Crystallographica Section E","2012","68","4","o992","o993","10.1107/S1600536812009208","","","0.71073","MoKα","","0.0574","0.0415","","","0.1197","0.1359","","","","","","0.829","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234246","11.1823","0.0003","11.7503","0.0004","9.6443","0.0002","90","","113.998","0.002","90","","1157.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","HG5186","Baddeley, Thomas C.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one","Acta Crystallographica Section E","2012","68","4","o1016","o1017","10.1107/S1600536812009567","","","0.71073","MoKα","","0.0526","0.0475","","","0.1221","0.1274","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234247","21.3909","0.0013","3.8653","0.0002","12.4514","0.0008","90","","90","","90","","1029.51","0.11","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","HG5187","Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.","3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole","Acta Crystallographica Section E","2012","68","4","o1018","","10.1107/S1600536812009579","","","0.71073","MoKα","","0.0398","0.0371","","","0.0976","0.1009","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234248","18.9264","0.0003","19.385","0.0005","26.0062","0.0007","81.799","0.002","87.108","0.002","64.007","0.002","8487.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Aqua(μ-cone-26,28-dibutoxy-25,27-bis{N-[5-(dimethylamino)naphthalene- 1-sulfonyl]carbamoylmethoxy}-5,11,17,23-tetrakis(1,1- dimethylethyl)calix[4]arene(2-))disodium acetonitrile tetrasolvate","","- C88 H112 N8 Na2 O11 S2 -","- C84 H106 N6 Na2 O11 S2 -","- C336 H424 N24 Na8 O44 S8 -","4","2","HG5188","Dinake, Pogisego; Prokhorova, Polina E.; Talanov, Vladimir S.; Butcher, Ray J.; Talanova, Galina G.","Aqua(μ-cone-26,28-dibutoxy-25,27-bis{N-[5-(dimethylamino)naphthalene-1-sulfonyl]carbamoylmethoxy}-5,11,17,23-tetrakis(1,1-dimethylethyl)calix[4]arene(2{-}))disodium acetonitrile tetrasolvate","Acta Crystallographica Section E","2012","68","4","m460","m461","10.1107/S1600536812010768","","","1.54178","CuKα","","0.0958","0.0802","","","0.2354","0.2526","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234249","10.4672","0.0012","20.17","0.002","10.9202","0.0013","90","","117.909","0.003","90","","2037.4","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Bis(adamantan-1-yl)-1-methoxybenzene","","- C27 H36 O -","- C27 H36 O -","- C108 H144 O4 -","4","1","HG5189","Li, Peng-Fei; Sun, Jian-Zi; Wang, Ling; Lv, Ya-Li; Liu, Li-Hong","3,5-Bis(adamantan-1-yl)-1-methoxybenzene","Acta Crystallographica Section E","2012","68","4","o1182","","10.1107/S1600536812011622","","","0.71073","MoKα","","0.0795","0.0585","","","0.1316","0.1428","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234250","21.9367","0.0009","19.009","0.0009","16.1742","0.0006","90","","90","","90","","6744.6","0.5","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","[meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato- κ^4^N,N',N'',N''']nickel(II)","","- C36 H16 Br4 N4 Ni S4 -","- C36 H16 Br4 N4 Ni S4 -","- C288 H128 Br32 N32 Ni8 S32 -","8","","HG5191","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","[meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ^4^N,N',N'',N''']nickel(II)","Acta Crystallographica Section E","2012","68","4","m471","m472","10.1107/S1600536812011671","","","0.71073","MoKα","","0.0778","0.0556","","","0.1273","0.1397","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234251","8.7498","0.0005","14.4343","0.0009","10.7225","0.0005","90","","96.749","0.005","90","","1344.84","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate","","- C11 H7 F3 N2 O4 S2 -","- C11 H7 F3 N2 O4 S2 -","- C44 H28 F12 N8 O16 S8 -","4","1","HG5192","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2012","68","4","o1156","","10.1107/S1600536812011683","","","0.71073","MoKα","","0.098","0.0706","","","0.191","0.2153","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234252","11.093","0.0001","8.7946","0.0001","25.3692","0.0003","90","","98.435","0.001","90","","2448.21","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(perchlorate) monohydrate","","- C16 H40 Cl2 N4 O9 -","- C16 H40 Cl2 N4 O9 -","- C64 H160 Cl8 N16 O36 -","4","1","HG5197","Hazari, Saroj K. S.; Roy, Tapashi G.; Nath, Babul Chandra; Roy, Prashun G.; Ng, Seik Weng; Tiekink, Edward R. T.","5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(perchlorate) monohydrate","Acta Crystallographica Section E","2012","68","4","o1179","","10.1107/S1600536812012135","","","1.54184","CuKα","","0.0396","0.0376","","","0.1031","0.1051","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234253","6.0585","0.0001","19.3774","0.0005","12.5769","0.0003","90","","103.2","0.002","90","","1437.49","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(E)-{[(Benzylsulfanyl)methanethioyl](methyl)amino}(thiophen-2- ylmethylidene)amine","Benzyl 2-methyl-3-[(E)-(thiophen-2-yl)methylidene]dithiocarbazate","","- C14 H14 N2 S3 -","- C14 H14 N2 S3 -","- C56 H56 N8 S12 -","4","1","HG5198","Hazari, Saroj K. S.; Dey, B. K.; Roy, Tapashi G.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.","Benzyl 2-methyl-3-[(E)-(thiophen-2-yl)methylidene]dithiocarbazate","Acta Crystallographica Section E","2012","68","4","o1216","","10.1107/S1600536812012652","","","1.54184","CuKα","","0.031","0.029","","","0.0782","0.0798","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234254","30.366","0.014","7.383","0.003","21.904","0.01","90","","130.311","0.008","90","","3745","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Isobutylphenyl)-N'-[(3Z)-2-oxoindolin-3- ylidene]propanohydrazide","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C168 H184 N24 O16 -","8","1","HG5199","Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Singh, Kuldip; Potgieter, Herman","2-(4-Isobutylphenyl)-N'-[(3Z)-2-oxoindolin-3-ylidene]propanohydrazide","Acta Crystallographica Section E","2012","68","4","o1222","o1223","10.1107/S160053681201269X","","","0.71073","MoKα","","0.1423","0.0666","","","0.1511","0.1816","","","","","","0.891","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234255","7.2514","0.0004","4.7113","0.0003","21.8591","0.0011","90","","103.394","0.002","90","","726.47","0.07","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","catena-Poly[[dichloridomercury(II)]-N'- nicotinoylnicotinohydrazide]","","- C12 H10 Cl2 Hg N4 O2 -","- C12 H10 Cl2 Hg N4 O2 -","- C24 H20 Cl4 Hg2 N8 O4 -","2","0.5","HP2029","Ma, Teng; Wang, Yuanlu; Wang, Fengliang; Li, Fei","catena-Poly[[dichloridomercury(II)]-N'-nicotinoylnicotinohydrazide]","Acta Crystallographica Section E","2012","68","4","m367","","10.1107/S1600536812008884","","","0.71073","MoKα","","0.0167","0.0156","","","0.0374","0.0378","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234256","14.78","0.0003","18.377","0.0003","13.6318","0.0003","90","","112.557","0.002","90","","3419.31","0.13","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac-{[2-(Diphenylthiophosphoryl)ferrocenyl]methyl}dimethylammonium diphenyldithiophosphinate","","- C37 H37 Fe N P2 S3 -","- C37 H37 Fe N P2 S3 -","- C148 H148 Fe4 N4 P8 S12 -","4","1","HP2031","Mouas, Nardjes; Merazig, Hocine; Daran, Jean-Claude; Manoury, Eric","rac-{[2-(Diphenylthiophosphoryl)ferrocenyl]methyl}dimethylammonium diphenyldithiophosphinate","Acta Crystallographica Section E","2012","68","4","m381","m382","10.1107/S1600536812009129","","","0.71073","MoKα","","0.04","0.031","","","0.0728","0.0785","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234257","9.325","0.0005","17.041","0.001","10.888","0.0006","90","","111.229","0.001","90","","1612.77","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Bis[(2-bromophenyl)diphenylphosphane- κP]carbonylchloridorhodium(I)","","- C37 H28 Br2 Cl O P2 Rh -","- C37 H28 Br2 Cl O P2 Rh -","- C74 H56 Br4 Cl2 O2 P4 Rh2 -","2","0.5","HP2033","Malan, Frederick P.; Malgas-Enus, Rehana; Meijboom, Reinout","trans-Bis[(2-bromophenyl)diphenylphosphane-κP]carbonylchloridorhodium(I)","Acta Crystallographica Section E","2012","68","4","m510","","10.1107/S1600536812012421","","","0.71069","MoKα","","0.0349","0.0273","","","","0.0634","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234258","10.1761","0.0006","16.5092","0.0009","12.0372","0.0007","90","","103.844","0.001","90","","1963.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[octakis(1H-imidazole-κN^3^)octa-μ-oxido- tetraoxidodicopper(II)tetravanadate(V)]","","- C24 H32 Cu2 N16 O12 V4 -","- C24 H32 Cu2 N16 O12 V4 -","- C48 H64 Cu4 N32 O24 V8 -","2","0.5","HY2518","Chanthee, Songwuit; Saesong, Tongchai; Saphu, Watcharin; Chainok, Kittipong; Krachodnok, Samroeng","Poly[octakis(1H-imidazole-κN^3^)octa-μ-oxido-tetraoxidodicopper(II)tetravanadate(V)]","Acta Crystallographica Section E","2012","68","4","m362","m363","10.1107/S1600536812008252","","","0.71073","MoKα","","0.034","0.0278","","","0.0702","0.0727","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234259","14.1827","0.0015","14.3876","0.0016","28.787","0.002","90","","90","","90","","5874.1","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[μ-N-(3-methoxy-2-oxidobenzylidene-1:2κ^2^O^2^:O^2^)- L-isoleucinato-2κ^2^N,O]bis(1,10-phenanthroline- 1κ^2^N,N')dinickel(II) methanol tetrasolvate trihydrate","","- C56 H72 N6 Ni2 O15 -","- C56 H72 N6 Ni2 O15 -","- C224 H288 N24 Ni8 O60 -","4","1","HY2519","Li, Yan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","Bis[μ-N-(3-methoxy-2-oxidobenzylidene-1:2κ^2^O^2^:O^2^)-L-isoleucinato-2κ^2^N,O]bis(1,10-phenanthroline-1κ^2^N,N')dinickel(II) methanol tetrasolvate trihydrate","Acta Crystallographica Section E","2012","68","4","m371","m372","10.1107/S1600536812008987","","","0.71073","MoKα","","0.0865","0.054","","","0.1358","0.1573","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234260","9.5422","0.0003","9.5422","0.0003","9.9977","0.0005","90","","90","","120","","788.37","0.05","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","Tris(ethylenediamine-κ^2^N,N')cadmium hexafluoridogermanate","","- C6 H24 Cd F6 Ge N6 -","- C6 H24 Cd F6 Ge N6 -","- C12 H48 Cd2 F12 Ge2 N12 -","2","0.166667","HY2520","Wang, Guo-Ming; Li, Zeng-Xin; Wang, Pei","Tris(ethylenediamine-κ^2^N,N')cadmium hexafluoridogermanate","Acta Crystallographica Section E","2012","68","4","m396","m397","10.1107/S160053681200983X","","","0.71073","MoKα","","0.0284","0.0235","","","0.0372","0.0383","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234261","8.6358","0.0017","9.5356","0.0019","16.885","0.003","90","","90","","90","","1390.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[tetraaquabis(μ~3~-oxalato- κ^5^O^1^,O^2^:O^1'^:O^1'^,O^2'^)(μ~2~- oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)dipraseodymium(III)]","","- C6 H8 O16 Pr2 -","- C6 H8 O16 Pr2 -","- C24 H32 O64 Pr8 -","4","1","HY2521","Hao, Cheng-Jun; Xie, Hui","Poly[tetraaquabis(μ~3~-oxalato-κ^5^O^1^,O^2^:O^1'^:O^1'^,O^2'^)(μ~2~-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^)dipraseodymium(III)]","Acta Crystallographica Section E","2012","68","4","m444","","10.1107/S1600536812011014","","","0.71073","MoKα","","0.0334","0.0285","","","0.0687","0.0715","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234262","12.9","0.002","14.004","0.003","13.44","0.003","90","","90","","90","","2428","0.8","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dibromido(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(II)","","- C10 H9 Br2 N3 Pt -","- C10 H9 Br2 N3 Pt -","- C80 H72 Br16 N24 Pt8 -","8","1","HY2523","Ha, Kwang","Dibromido(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(II)","Acta Crystallographica Section E","2012","68","4","m453","","10.1107/S1600536812011300","","","0.71073","MoKα","","0.0414","0.0288","","","0.066","0.0786","","","","","","1.102","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234263","13.928","0.005","7.473","0.003","16.653","0.004","90","","122.43","0.02","90","","1463","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(ethanol-κO)[2-(1,3-thiazol-4-yl-κN)-1H- benzimidazole-κN^3^]copper(II)","","- C12 H13 Cl2 Cu N3 O S -","- C12 H13 Cl2 Cu N3 O S -","- C48 H52 Cl8 Cu4 N12 O4 S4 -","4","1","HY2524","Li, Long; Diao, Kai-Sheng; Ding, Yu-Qiu; Tang, Jin-Niu; Wang, Dai-Yin","Dichlorido(ethanol-κO)[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN^3^]copper(II)","Acta Crystallographica Section E","2012","68","4","m508","","10.1107/S1600536812013037","","","0.71073","MoKα","","0.045","0.0343","","","0.0905","0.1087","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234264","7.7332","0.0006","10.8948","0.0008","11.9112","0.0009","103.625","0.001","90.664","0.002","98.993","0.001","962.08","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Aqua(2,2'-bipyridine-κ^2^N,N'){(E)-[(5-chloro-2- oxidobenzylidene)amino-κ^2^N,O]methanesulfonato-κO}zinc","","- C18 H16 Cl N3 O5 S Zn -","- C18 H16 Cl N3 O5 S Zn -","- C36 H32 Cl2 N6 O10 S2 Zn2 -","2","1","HY2525","Deng, Yi-Fang; Nie, Xue; Zhang, Chun-Hua","Aqua(2,2'-bipyridine-κ^2^N,N'){(E)-[(5-chloro-2-oxidobenzylidene)amino-κ^2^N,O]methanesulfonato-κO}zinc","Acta Crystallographica Section E","2012","68","4","m517","","10.1107/S1600536812013050","","","0.71073","MoKα","","0.0315","0.0283","","","0.0753","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234265","16.0822","0.0001","16.0822","0.0001","9.0114","0.0002","90","","90","","90","","2330.68","0.06","153","2","153","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","catena-Poly[(chloridozinc)-μ-5-(1-methyl-1H-benzimidazol- 2-yl-κN^3^)-1,2,3-triazol-1-ido-κ^2^N^1^:N^3^]","","- C10 H8 Cl N5 Zn -","- C10 H8 Cl N5 Zn -","- C80 H64 Cl8 N40 Zn8 -","8","1","HY2526","Sun, Chen-Guang; Song, Ji-Rong","catena-Poly[(chloridozinc)-μ-5-(1-methyl-1H-benzimidazol-2-yl-κN^3^)-1,2,3-triazol-1-ido-κ^2^N^1^:N^3^]","Acta Crystallographica Section E","2012","68","4","m520","","10.1107/S1600536812012706","","","0.71073","MoKα","","0.0284","0.0237","","","0.0579","0.0608","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234266","9.4268","0.0009","10.2468","0.001","12.6122","0.0011","84.973","0.006","70.377","0.005","75.676","0.006","1111.83","0.19","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9- hexahydro-1H-xanthene-1,8(2H)-dione","","- C25 H30 O6 -","- C25 H30 O6 -","- C50 H60 O12 -","2","1","IM2356","Sughanya, V.; Sureshbabu, N.","9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione","Acta Crystallographica Section E","2012","68","4","o1060","","10.1107/S1600536812010410","","","0.71073","MoKα","","0.1113","0.0513","","","0.1209","0.1571","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234267","8.469","0.003","11.116","0.003","18.834","0.006","92.111","0.014","90.823","0.014","107.352","0.014","1690.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Aquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole- κ^2^N^2^,N^3^](trifluoromethanesulfonato-κO)copper(II) trifluoromethanesulfonate","","- C26 H18 Cu F6 N8 O7 S4 -","- C26 H18 Cu F6 N8 O7 S4 -","- C52 H36 Cu2 F12 N16 O14 S8 -","2","1","IM2358","Bentiss, Fouad; Outirite, Moha; Lagrenée, Michel; Saadi, Mohamed; El Ammari, Lahcen","Aquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^N^2^,N^3^](trifluoromethanesulfonato-κO)copper(II) trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","4","m360","m361","10.1107/S1600536812008732","","","0.71073","MoKα","","0.0523","0.0406","","","0.0928","0.0991","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234268","10.5189","0.0005","8.1339","0.0003","20.0009","0.0013","90","","90","","90","","1711.27","0.15","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1H- pyrazol-1-yl]benzonitrile","","- C21 H14 F N5 -","- C21 H14 F N5 -","- C84 H56 F4 N20 -","4","1","IM2359","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","4","o935","","10.1107/S160053681200877X","","","1.54178","CuKα","","0.0387","0.0381","","","0.1022","0.103","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234269","11.5409","0.0004","8.1345","0.0002","14.1115","0.0005","90","","97.294","0.002","90","","1314.06","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Formylphenyl)-p‒toluenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","IM2360","Murugavel, S.; Manikandan, N.; Kannan, D.; Bakthadoss, M.","N-(2-Formylphenyl)-4-toluenesulfonamide: a second monoclinic polymorph","Acta Crystallographica Section E","2012","68","4","o1009","o1010","10.1107/S1600536812009403","","","0.71073","MoKα","","0.0833","0.0485","","","0.1316","0.1551","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234270","4.9817","0.0004","18.4025","0.0015","10.1526","0.0009","90","","95.924","0.001","90","","925.78","0.13","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","","- C8 H4 Cl2 N4 -","- C8 H4 Cl2 N4 -","- C32 H16 Cl8 N16 -","4","1","IM2361","Xu, Jingli; Liu, Hang; Li, Guixia; Qi, Chuanmin","7-Chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1161","","10.1107/S160053681201166X","","","0.71073","MoKα","","0.047","0.0384","","","0.0985","0.1043","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234271","15.9784","0.0003","30.6984","0.0008","8.7072","0.0002","90","","90","","90","","4270.98","0.17","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","[Disulfanediylbis(ferrocenylthiophosphinato)- κ^2^O,O]titanocene tetrahydrofuran trisolvate","","- C42 H52 Fe2 O5 P2 S4 Ti -","- C42 H52 Fe2 O5 P2 S4 Ti -","- C168 H208 Fe8 O20 P8 S16 Ti4 -","4","1","IM2362","Karakus, Mehmet; Woollins, J. Derek; Lönnecke, Peter; Hey-Hawkins, Evamarie","[Disulfanediylbis(ferrocenylthiophosphinato)-κ^2^O,O]titanocene tetrahydrofuran trisolvate","Acta Crystallographica Section E","2012","68","4","m428","","10.1107/S1600536812010811","","","0.71073","MoKα","","0.0628","0.048","","","0.1015","0.1054","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234272","7.736","0.0015","12.441","0.003","12.577","0.003","64.14","0.03","81.14","0.02","86.46","0.03","1076.2","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3- yl)methyl]benzaldehyde 0.25-hydrate","","- C26 H21.5 N O3.25 -","- C26 H21.5 N O3.25 -","- C52 H43 N2 O6.5 -","2","1","IM2364","Yu, Tao; Hu, Yimin","(E)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3-yl)methyl]benzaldehyde 0.25-hydrate","Acta Crystallographica Section E","2012","68","4","o1184","","10.1107/S1600536812012160","","","0.71073","MoKα","","0.0764","0.0612","","","0.1409","0.149","","","","","","1.093","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234273","8.576","0.0008","16.8916","0.0016","7.4893","0.0007","90","","96.296","0.002","90","","1078.37","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(dipyridin-2-ylamine-κ^2^N^2^,N^2-^)palladium(II) dinitrate","","- C20 H18 N8 O6 Pd -","- C20 H18 N8 O6 Pd -","- C40 H36 N16 O12 Pd2 -","2","0.5","IM2365","Ha, Kwang","Bis(dipyridin-2-ylamine-κ^2^N^2^,N^2'^)palladium(II) dinitrate","Acta Crystallographica Section E","2012","68","4","m501","","10.1107/S1600536812012081","","","0.71073","MoKα","","0.0532","0.0317","","","0.0596","0.0861","","","","","","1.156","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2234274","8.9579","0.0006","8.9579","0.0006","21.187","0.003","90","","90","","120","","1472.4","0.3","273","2","273","2","","","","","","","","4","P 31","P 31","144","(R)-1,1'-Binaphthalene-2,2'-diol‒ (Z)-N-ethylethanimine N-oxide (1/1)","(R)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol‒ (Z)-N-ethylethanimine N-oxide (1/1)","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C72 H69 N3 O9 -","3","1","IS5033","Shao, Bo; Wang, Hai-Bin","(R)-1,1'-Binaphthalene-2,2'-diol‒(Z)-N-ethylideneethanamine N-oxide (1/1)","Acta Crystallographica Section E","2012","68","4","o948","","10.1107/S1600536812007477","","","0.71073","MoKα","","0.0559","0.0529","","","0.1136","0.1152","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234275","4.6316","0.0004","9.3157","0.0008","26.458","0.002","90","","94.485","0.002","90","","1138.08","0.16","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C10 H9 N5 O3 S -","- C10 H9 N5 O3 S -","- C40 H36 N20 O12 S4 -","4","1","IS5048","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o953","o954","10.1107/S1600536812001183","","","0.71073","MoKα","","0.0655","0.0483","","","0.0956","0.102","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234276","8.9669","0.0012","18.784","0.002","7.8288","0.001","90","","99.684","0.003","90","","1299.8","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate","","- C13 H12 F N3 O4 -","- C13 H12 F N3 O4 -","- C52 H48 F4 N12 O16 -","4","1","IS5064","Yousuf, Sammer; Zeb, Aurang; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate","Acta Crystallographica Section E","2012","68","4","o952","","10.1107/S1600536812006319","","","0.71073","MoKα","","0.0329","0.032","","","0.0877","0.0883","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234277","6.2826","0.0002","10.0341","0.0003","19.1315","0.0005","90","","90","","90","","1206.05","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H12 N4 O S -","- C11 H12 N4 O S -","- C44 H48 N16 O4 S4 -","4","1","IS5066","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o955","o956","10.1107/S1600536812005417","","","0.71073","MoKα","","0.0419","0.0371","","","0.0922","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234278","6.2838","0.0002","24.8474","0.0013","8.0478","0.0003","90","","122.255","0.002","90","","1062.64","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(Phenyldiazenyl)tropolone","(E)-2-hydroxy-5-(phenyldiazenyl)cyclohepta-2,4,6-trien-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","IS5073","Hill, Tania N.; Mangwaela, Moeketsi S.; Steyl, Gideon","5-(Phenyldiazenyl)tropolone","Acta Crystallographica Section E","2012","68","4","o941","","10.1107/S1600536812008677","","","0.71073","MoKα","","","0.0481","","","","0.1277","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234279","11.1592","0.0006","21.2248","0.0011","13.6121","0.0007","90","","103.113","0.001","90","","3140","0.3","90","1","90","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubrene endoperoxide acetone monosolvate","1,3,10,12-tetraphenyl-19,20- dioxapentacyclo[10.6.2.0^2,11^.0^4,9^.0^13,18^]icosa- 2(11),3,5,7,9,13,15,17-octaene acetone monosolvate","","- C45 H34 O3 -","- C45 H34 O3 -","- C180 H136 O12 -","4","1","IS5077","Shinashi, Kiyoaki; Uchida, Akira","Rubrene endoperoxide acetone monosolvate","Acta Crystallographica Section E","2012","68","4","o995","o996","10.1107/S1600536812008835","","","0.71073","MoKα","","0.0798","0.0491","","","0.1048","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234280","11.0746","0.0006","24.9781","0.0013","9.5563","0.0005","90","","114.658","0.001","90","","2402.4","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aquamanganese(III)]-μ-(E)-5-bromo- N-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]- 2-oxidobenzamidato] N,N-dimethylfomamide monosolvate]","","- C23 H19 Br2 Mn N4 O7 -","- C23 H19 Br2 Mn N4 O7 -","- C92 H76 Br8 Mn4 N16 O28 -","4","1","IS5080","Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun","catena-Poly[[[aquamanganese(III)]-μ-(E)-5-bromo-N-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato] N,N-dimethylfomamide monosolvate]","Acta Crystallographica Section E","2012","68","4","m365","m366","10.1107/S1600536812008501","","","0.71073","MoKα","","0.0476","0.0337","","","0.0801","0.0853","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234281","9.4446","0.0005","19.5625","0.0008","8.6657","0.0005","90","","98.903","0.004","90","","1581.78","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-1-[(5-methoxy-1H-indol-2-yl)methyl]-1H-indole","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","IS5084","Attia, Mohamed I.; El-Brollosy, Nasser R.; Ghabbour, Hazem A.; Arshad, Suhana; Fun, Hoong-Kun","5-Methoxy-1-[(5-methoxy-1H-indol-2-yl)methyl]-1H-indole","Acta Crystallographica Section E","2012","68","4","o971","","10.1107/S1600536812009257","","","1.54178","CuKα","","0.0564","0.0461","","","0.1242","0.1329","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234282","7.3319","0.0001","18.5135","0.0003","22.0578","0.0003","90","","91.516","0.001","90","","2993.06","0.08","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate","","- C26 H38 Cl4 N4 O4 Zn -","- C26 H38 Cl4 N4 O4 Zn -","- C104 H152 Cl16 N16 O16 Zn4 -","4","1","IS5085","Goh, Teik Beng; Mordi, Mohd Nizam; Mansor, Sharif Mahsufi; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m464","m465","10.1107/S1600536812011130","","","0.71073","MoKα","","0.0712","0.0432","","","0.0878","0.0979","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234283","8.3431","0.00001","8.4776","0.00001","15.9821","0.0002","91.566","0.0001","91.782","0.0001","109.835","0.0001","1061.96","0.013","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenylethoxy)methyl]pyrimidine-2,4(1H,3H)dione","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C48 H56 N4 O6 -","2","1","IS5086","El-Brollosy, Nasser R.; Attia, Mohamed I.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","6-(3,5-Dimethylbenzyl)-5-ethyl-1-[(2-phenylethoxy)methyl]pyrimidine-2,4(1H,3H)dione","Acta Crystallographica Section E","2012","68","4","o1031","o1032","10.1107/S1600536812009841","","","1.54178","CuKα","","0.0468","0.0441","","","0.1206","0.123","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234284","11.5555","0.0012","10.1981","0.0011","22.843","0.002","90","","90","","90","","2691.9","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","IS5087","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1033","","10.1107/S160053681200966X","","","1.54178","CuKα","","0.0787","0.0451","","","0.1112","0.1235","","","","","","0.891","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234285","7.271","0.002","12.654","0.004","13.645","0.005","88.252","0.015","85.695","0.014","73.623","0.012","1201","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- yl)iminomethyl]-2-methoxyphenyl 4-bromobenzenesulfonate","","- C25 H22 Br N3 O5 S -","- C25 H22 Br N3 O5 S -","- C50 H44 Br2 N6 O10 S2 -","2","1","IS5089","Duan, Zhong-Yu; Ma, Guo-Li; Yang, Li-Ping","(E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]-2-methoxyphenyl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2012","68","4","o1039","","10.1107/S1600536812010057","","","0.71073","MoKα","","0.031","0.0252","","","0.0585","0.0594","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234286","14.1321","0.0004","5.8524","0.0002","19.0076","0.0006","90","","100.307","0.002","90","","1546.69","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-3-p-Tolyl-2-(p-tolylimino)-1,3-thiazolidin-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","IS5090","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(Z)-3-p-Tolyl-2-(p-tolylimino)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","4","o1143","","10.1107/S160053681201149X","","","1.54178","CuKα","","0.0556","0.046","","","0.1262","0.135","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234287","6.8322","0.0002","16.8974","0.0005","25.7968","0.0006","90","","90","","90","","2978.15","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C144 H104 N24 O8 -","8","1","IS5091","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1095","o1096","10.1107/S1600536812010938","","","1.54178","CuKα","","0.0453","0.0387","","","0.1109","0.1161","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234288","7.0057","0.0004","14.7685","0.0009","14.9633","0.0009","90","","98.118","0.001","90","","1532.64","0.16","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(azido-κN)(di-2-pyridylamine- κ^2^N^2^,N^2'^)platinum(IV)","","- C10 H9 N15 Pt -","- C10 H9 N15 Pt -","- C40 H36 N60 Pt4 -","4","1","IS5092","Ha, Kwang","Tetrakis(azido-κN)(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(IV)","Acta Crystallographica Section E","2012","68","4","m447","","10.1107/S1600536812011178","","","0.71073","MoKα","","0.0644","0.036","","","0.0662","0.0767","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234289","10.2433","0.0002","10.6467","0.0002","15.7547","0.0003","90","","109.684","0.001","90","","1617.76","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-5-phenyl-1-p-tolyl-1H-pyrazole-4-carbonitrile","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","IS5093","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-5-phenyl-1-p-tolyl-1H-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1167","","10.1107/S1600536812011762","","","1.54178","CuKα","","0.0462","0.0422","","","0.1141","0.1178","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234290","7.286","0.0002","10.2982","0.0003","10.7727","0.0003","63.721","0.003","73.122","0.002","76.737","0.002","688.74","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Amino-1,3,4-thiadiazol-2(3H)-one","","- C2 H3 N3 O S -","- C2 H3 N3 O S -","- C12 H18 N18 O6 S6 -","6","3","IS5096","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-Amino-1,3,4-thiadiazol-2(3H)-one","Acta Crystallographica Section E","2012","68","4","o1198","","10.1107/S1600536812012433","","","0.71073","MoKα","","0.0467","0.0309","","","","0.0795","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234291","14.1384","0.0002","11.1948","0.0001","17.7264","0.0002","90","","107.955","0.001","90","","2669.03","0.06","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea","","- C11 H12 Br Cl N2 O S -","- C11 H12 Br Cl N2 O S -","- C88 H96 Br8 Cl8 N16 O8 S8 -","8","2","IS5098","Yusof, Mohd Sukeri Mohd; Embong, Nur Farhana; Arshad, Suhana; Razak, Ibrahim Abdul","1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1267","","10.1107/S160053681201327X","","","0.71073","MoKα","","0.0511","0.0306","","","0.0615","0.0672","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234292","16.3579","0.001","6.1382","0.0004","30.7095","0.0018","90","","90.373","0.001","90","","3083.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-({3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzyl}sulfanyl)-1,3,4- thiadiazol-2-amine","","- C12 H12 N6 S4 -","- C12 H12 N6 S4 -","- C96 H96 N48 S32 -","8","1","IS5100","Kang, Sung Kwon; Cho, Nam Sook; Jang, Siyoung","5-({3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","4","o1241","","10.1107/S1600536812013116","","","0.71073","MoKα","","0.0679","0.0386","","","","0.0765","","","","","","0.883","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234293","10.9391","0.0004","18.1257","0.0006","14.1818","0.0005","90","","94.157","0.002","90","","2804.55","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-benzofuran-2-carbohydrazide","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C120 H120 N24 O24 -","12","3","IS5101","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Methyl-1-benzofuran-2-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1255","o1256","10.1107/S1600536812013190","","","1.54178","CuKα","","0.0645","0.0447","","","0.1215","0.1334","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234294","8.7522","0.0002","10.8464","0.0003","16.1156","0.0004","90","","103.968","0.002","90","","1484.62","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-Anilino-2-benzoyl-3-(methylsulfanyl)acrylonitrile","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","IS5105","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(E)-3-Anilino-2-benzoyl-3-(methylsulfanyl)acrylonitrile","Acta Crystallographica Section E","2012","68","4","o1271","","10.1107/S1600536812013475","","","1.54178","CuKα","","0.0412","0.0388","","","0.1064","0.1087","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234295","7.7088","0.0007","14.6893","0.0009","9.6887","0.0008","90","","96.782","0.01","90","","1089.44","0.15","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3-acetylpyridine-κN)bis(methanol- κO)bis(thiocyanato-κN)nickel(II)","","- C18 H22 N4 Ni O4 S2 -","- C18 H22 N4 Ni O4 S2 -","- C36 H44 N8 Ni2 O8 S4 -","2","0.5","JJ2122","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","Bis(3-acetylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2012","68","4","m441","m442","10.1107/S1600536812008860","","","0.71073","MoKα","","0.0523","0.039","","","0.0947","0.1011","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234296","8.1507","0.0003","16.7258","0.0008","9.2967","0.0004","90","","98.354","0.003","90","","1253.94","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethylpropanoate","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C48 H60 N12 O8 -","4","1","JJ2123","Xu, Sen; Shen, Yingzhong","(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","4","o1066","","10.1107/S1600536812010252","","","0.71073","MoKα","","0.0552","0.0433","","","0.1182","0.1277","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234297","10.3732","0.0017","7.996","0.0013","37.665","0.006","90","","90","","90","","3124.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-((1H-imidazol-1-yl)methyl)-1-(4-(trifluoromethyl)phenyl)-1H-indole","2-[(1H-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H- indole","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C152 H112 F24 N24 -","8","1","JJ2125","Wang, Rui; Shi, Hong-fan; Du, Lin; Zhao, Jing-feng; Liu, Jian-ping","2-[(1H-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1H-indole","Acta Crystallographica Section E","2012","68","4","o1081","","10.1107/S1600536812010471","","","0.71073","MoKα","","0.1174","0.0791","","","0.1863","0.2142","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234298","14.1173","0.0014","5.2038","0.0005","16.4239","0.0019","90","","94.019","0.01","90","","1203.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[(E)-Cyclopentylidene]hydrazin-1-yl}benzenesulfonamide","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","JJ2126","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{2-[(E)-Cyclopentylidene]hydrazin-1-yl}benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1196","","10.1107/S1600536812012524","","","0.71073","MoKα","","0.0872","0.0558","","","0.1063","0.1226","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234299","11.9398","0.0012","4.668","0.0005","14.7818","0.0018","90","","101.961","0.011","90","","805.98","0.16","123","1","123","1","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(E)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C40 H34 N6 O4 -","2","1","JJ2127","Öztürk Yíldírím, Sema; Demirhan, Nebahat; Elmalí, Fikriye; Butcher, Ray J.","2-[(E)-(1,10-Phenanthrolin-5-yl)iminomethyl]phenol methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1173","o1174","10.1107/S1600536812011890","","","1.54184","CuKα","","0.0407","0.0391","","","0.1069","0.11","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234300","14.5445","0.0006","8.3832","0.0003","16.2341","0.0006","90","","90","","90","","1979.41","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Nitrophenyl)morpholine","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","KJ2195","Wang, Li-Jiao; Li, Wei-Wei; Yang, Sheng-Yong; Yang, Li","4-(4-Nitrophenyl)morpholine","Acta Crystallographica Section E","2012","68","4","o1235","","10.1107/S1600536812012172","","","0.71073","MoKα","","0.074","0.0478","","","0.106","0.1213","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234301","11.547","0.0004","20.9656","0.0007","7.873","0.0003","90","","90","","90","","1905.97","0.12","100","1","100","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","","- C21 H24 N2 O4 Pd -","- C21 H24 N2 O4 Pd -","- C84 H96 N8 O16 Pd4 -","4","0.5","KJ2196","Che Soh, Siti Kamilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","{5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)","Acta Crystallographica Section E","2012","68","4","m514","m515","10.1107/S1600536812013128","","","0.71073","MoKα","","0.0173","0.0163","","","0.0425","0.0431","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234302","8.1771","0.0002","9.8877","0.0002","11.8423","0.0003","103.108","0.001","90.872","0.001","111.546","0.001","862.23","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-5-iodo-3-phenylsulfinyl-1-benzofuran","","- C20 H12 F I O2 S -","- C20 H12 F I O2 S -","- C40 H24 F2 I2 O4 S2 -","2","1","KJ2197","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(4-Fluorophenyl)-5-iodo-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o1237","","10.1107/S1600536812013086","","","0.71073","MoKα","","0.026","0.0238","","","0.0589","0.0602","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234303","6.4958","0.0006","11.7671","0.001","12.508","0.0011","90","","100.064","0.002","90","","941.36","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)","","- C8 H5 Cl Mo O3 -","- C8 H5 Cl Mo O3 -","- C32 H20 Cl4 Mo4 O12 -","4","1","KP2389","Ogweno, Aloice O.; Onani, Martin O.","Tricarbonylchlorido(η^5^-cyclopentadienyl)molybdenum(II)","Acta Crystallographica Section E","2012","68","4","m364","","10.1107/S1600536812008471","","","0.71073","MoKα","","0.0328","0.0221","","","0.0427","0.0455","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234304","6.2022","0.0004","7.522","0.0004","24.7673","0.0015","98.41","0.005","94.425","0.005","94.2","0.005","1135.44","0.12","150","","150","","","","","","","","","3","P -1","-P 1","2","","rac-[3-Hydroxy-6,9-dimethyl-6-(4-methylpent-3-en-1-yl)-6a,7,8,9,10,10a- hexahydro-6H-1,9-epoxybenzo[c]chromen-4-yl](phenyl)methanone","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","1","KP2392","Ee, Gwendoline Cheng Lian; Teh, Soek Sin; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Mah, Siau Hui","rac-[3-Hydroxy-6,9-dimethyl-6-(4-methylpent-3-en-1-yl)-6a,7,8,9,10,10a-hexahydro-6H-1,9-epoxybenzo[c]chromen-4-yl](phenyl)methanone","Acta Crystallographica Section E","2012","68","4","o1091","o1092","10.1107/S1600536812010756","","","1.5418","CuKα","","0.0619","0.0461","","0.1168","0.1054","0.1165","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234305","14.526","0.003","6.1065","0.0012","17.49","0.003","90","","99.098","0.003","90","","1531.9","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C64 H64 Cl4 N4 O8 S4 -","4","1","KP2393","Yang, Jing; Chen, Na; Sun, Hao; Cao, Xiao-Xia; Liu, Deng-Ke","5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate","Acta Crystallographica Section E","2012","68","4","o1053","","10.1107/S1600536812010045","","","0.71073","MoKα","","0.0332","0.03","","","0.0839","0.0856","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234306","5.215","0.001","7.3356","0.0015","24.001","0.005","97.62","0.03","90.62","0.03","95.77","0.03","905.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[hydrazin-1-ium [diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]","","- C12 H15 Li3 N6 O11 -","- C12 H15 Li3 N6 O11 -","- C24 H30 Li6 N12 O22 -","2","1","KP2395","Starosta, Wojciech; Leciejewicz, Janusz","Poly[hydrazin-1-ium [diaquabis(μ~4~-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]","Acta Crystallographica Section E","2012","68","4","m496","m497","10.1107/S1600536812012743","","","0.71073","MoKα","","0.1325","0.0574","","","0.1783","0.2426","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234307","13.878","0.003","13.475","0.003","17.421","0.004","90","","90","","90","","3257.8","1.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1H-pyrazole-4-carbonitrile","","- C16 H9 Cl2 N5 O2 -","- C16 H9 Cl2 N5 O2 -","- C128 H72 Cl16 N40 O16 -","8","1","KP2396","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Li, Chun-Yan; Xu, Li-Feng","1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1H-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1142","","10.1107/S1600536812011506","","","0.71073","MoKα","","0.0799","0.0523","","","0.1258","0.1422","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234308","9.6123","0.0004","9.9437","0.0003","24.9677","0.0007","90","","90","","90","","2386.46","0.14","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2S)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl- 1H-imidazole","","- C30 H25 Cl N2 -","- C30 H25 Cl N2 -","- C120 H100 Cl4 N8 -","4","1","LD2044","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","1-[(2S)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl-1H-imidazole","Acta Crystallographica Section E","2012","68","4","o1153","","10.1107/S1600536812009609","","","1.5418","CuKα","","0.0655","0.045","","","0.089","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234309","10.0411","0.0003","11.3123","0.0003","18.5549","0.0007","90","","90","","90","","2107.61","0.12","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","LD2047","Chen, Longran; Liu, Xuefen; Yang, Peng","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","Acta Crystallographica Section E","2012","68","4","o997","","10.1107/S1600536812008665","","","0.71073","MoKα","","0.0533","0.0393","","","0.0901","0.1024","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234310","7.276","0.003","18.075","0.006","7.246","0.003","90","","97.055","0.005","90","","945.7","0.6","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,7,8-Trimethyl-2H-chromen-2-one","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","LD2048","Yang, Jian-Xin; Tan, Xue-Mei; Wang, Xiang-Hui; Wang, Yin","4,7,8-Trimethyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1014","","10.1107/S1600536812009646","","","0.71073","MoKα","","0.0679","0.0502","","","0.1031","0.1117","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234311","9.3692","0.0014","20.161","0.003","11.6281","0.0018","90","","110.221","0.002","90","","2061.1","0.5","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rac-18-Methoxycoronaridine hydrochloride","(1RS,13RS,17SR)-1-(methoxycarbonyl)-17-(2-methoxyethyl)- 3,13-diazapentacyclo[13.3.1.0^2,10^.0^4,9^.0^13,18^]nonadeca- 2(10),4,6,8-tetraen-13-ium chloride","","- C22 H29 Cl N2 O3 -","- C22 H29 Cl N2 O3 -","- C88 H116 Cl4 N8 O12 -","4","1","LD2049","Kuehne, Martin E.; Waterman, Rory","rac-18-Methoxycoronaridine hydrochloride","Acta Crystallographica Section E","2012","68","4","o1041","","10.1107/S1600536812009981","","","0.71073","MoKα","","0.1124","0.0526","","","0.0991","0.1181","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234312","8.4365","0.0002","9.2771","0.0002","9.7956","0.0002","91.404","0.001","91.271","0.0001","115.111","0.001","693.55","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid","","- C14 H15 F O3 S -","- C14 H15 F O3 S -","- C28 H30 F2 O6 S2 -","2","1","LD2050","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","4","o946","","10.1107/S1600536812008240","","","0.71073","MoKα","","0.0586","0.0509","","","0.1466","0.1547","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234313","5.4478","0.0002","8.2149","0.0003","27.3841","0.0006","90","","90","","90","","1225.52","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S-Phenyl 4-methoxybenzothioate","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","LH5413","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; El-Subbagh, Hussein I.; Chantrapromma, Suchada; Fun, Hoong-Kun","S-Phenyl 4-methoxybenzothioate","Acta Crystallographica Section E","2012","68","4","o1074","o1075","10.1107/S1600536812005454","","","1.54178","CuKα","","0.0998","0.0561","","","0.1604","0.1986","","","","","","1.221","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234314","7.114","0.005","10.404","0.005","11.151","0.005","70.426","0.005","88.549","0.005","76.081","0.005","753.4","0.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxopent-4-enedithioate","","- C10 H16 O3 S4 -","- C10 H16 O3 S4 -","- C20 H32 O6 S8 -","2","1","LH5419","Ghorbani, Mohammad Hassan","Methyl 2,2-dimethoxy-5,5-bis(methylsulfanyl)-3-oxopent-4-enedithioate","Acta Crystallographica Section E","2012","68","4","o1133","","10.1107/S1600536812011282","","","0.71069","MoKα","","0.0724","0.037","","","0.0788","0.0853","","","","","","0.814","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234315","17.5415","0.0008","12.0708","0.0006","7.843","0.0004","90","","101.854","0.003","90","","1625.26","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(1E,2E)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine- 4-carbohydrazide","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","1","LH5421","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","N'-[(1E,2E)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1144","o1145","10.1107/S1600536812009075","","","1.54178","CuKα","","0.0606","0.0494","","","0.1416","0.1542","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234316","12.159","0.002","4.5893","0.0009","17.666","0.004","90","","104.98","0.03","90","","952.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[μ~2~-aqua-bis[μ~4~-2-(1H-1,2,3-benzotriazol-1- yl)acetato]dipotassium]","","- C8 H7 K N3 O2.5 -","- C8 H7 K N3 O2.5 -","- C32 H28 K4 N12 O10 -","4","1","LH5422","Liu, Qiong","Poly[μ~2~-aqua-bis[μ~4~-2-(1H-1,2,3-benzotriazol-1-yl)acetato]dipotassium]","Acta Crystallographica Section E","2012","68","4","m379","","10.1107/S1600536812008963","","","0.71073","MoKα","","0.1053","0.0693","","","0.1231","0.1354","","","","","","1.054","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2234317","7.8069","0.0003","8.477","0.0003","10.1426","0.0003","103.782","0.002","90.342","0.002","109.928","0.002","610.07","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","N-(2,6-Dimethylphenyl)-N'-propanoylthiourea","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C24 H32 N4 O2 S2 -","2","1","LH5423","Yusof, Mohd Sukeri Mohd; Mutalib, Siti Fatimah Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","N-(2,6-Dimethylphenyl)-N'-propanoylthiourea","Acta Crystallographica Section E","2012","68","4","o982","","10.1107/S1600536812009233","","","0.71073","MoKα","","0.0517","0.0395","","","0.0875","0.1003","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234318","9.0296","0.0004","18.0457","0.0007","27.4755","0.001","90","","90","","90","","4477","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-(2,3-Dimethylanilino)-N'-[2-methyl-5-(prop-1-en- 2-yl)cyclohex-2-enylidene]benzohydrazide","","- C25 H29 N3 O -","- C25 H29 N3 O -","- C200 H232 N24 O8 -","8","2","LH5424","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(E)-2-(2,3-Dimethylanilino)-N'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1135","","10.1107/S1600536812009087","","","1.54178","CuKα","","0.0848","0.0586","","","0.1514","0.1673","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234319","7.8136","0.0002","19.3483","0.0004","10.1926","0.0002","90","","100.346","0.002","90","","1515.86","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","LH5425","Kapoor, Kamini; Deshmukh, Madhukar B.; Shripanavar, Chetan S.; Gupta, Vivek K.; Kant, Rajni","Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate","Acta Crystallographica Section E","2012","68","4","o987","","10.1107/S160053681200918X","","","0.71073","MoKα","","0.0514","0.0375","","","0.0841","0.0904","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234320","11.5734","0.001","5.9705","0.0004","16.1202","0.0014","90","","106.49","0.004","90","","1068.07","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-1H-benzotriazole","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","LH5426","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1H-benzotriazole","Acta Crystallographica Section E","2012","68","4","o1132","","10.1107/S1600536812010951","","","1.54178","CuKα","","0.062","0.0549","","","0.1338","0.1381","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234321","7.8409","0.0003","9.6373","0.0004","9.5199","0.0004","90","","105.689","0.003","90","","692.57","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[Amino(imino)methyl]uronium tetrafluoroborate","","- C2 H7 B F4 N4 O -","- C2 H7 B F4 N4 O -","- C8 H28 B4 F16 N16 O4 -","4","1","LH5427","Fridrichová, Michaela; Fábry, Jan; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl","N-[Amino(imino)methyl]uronium tetrafluoroborate","Acta Crystallographica Section E","2012","68","4","o1114","o1115","10.1107/S1600536812010665","","","1.5418","CuKα","","0.0249","0.0242","","0.0805","0.0796","0.0805","","","1.74","","","1.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234322","7.741","0.002","9.23","0.001","10.464","0.001","71.63","0.02","75.222","0.001","82.081","0.001","684.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-{2-Hydroxy-6-[3-(pyrrol-1-yl)propoxy]phenyl}ethanone","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","LH5428","Ourari, Ali; Aggoun, Djouhra; Bouacida, Sofiane","1-{2-Hydroxy-6-[3-(pyrrol-1-yl)propoxy]phenyl}ethanone","Acta Crystallographica Section E","2012","68","4","o1083","","10.1107/S1600536812010641","","","0.71073","MoKα","","0.0613","0.046","","","0.1166","0.1283","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234323","21.0503","0.0019","9.9895","0.0011","30.185","0.002","90","","101.836","0.002","90","","6212.4","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Chloro-N'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide","","- C14 H9 Br2 Cl N2 O2 -","- C14 H9 Br2 Cl N2 O2 -","- C224 H144 Br32 Cl16 N32 O32 -","16","2","LH5429","Zhang, Wei-Guang","4-Chloro-N'-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1209","","10.1107/S1600536812009786","","","0.71073","MoKα","","0.1298","0.0446","","","0.0817","0.1045","","","","","","0.946","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234324","17.2444","0.0009","10.8583","0.0005","16.5268","0.0008","90","","90","","90","","3094.6","0.3","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)zirconate(II) tetrahydrate","","- C23 H29 N9 O16 Zr -","- C23 H29 N9 O16 Zr -","- C92 H116 N36 O64 Zr4 -","4","0.5","LH5430","Tabatabaee, Masoumeh; Adineh, Mahnaz; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Bis(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)zirconate(II) tetrahydrate","Acta Crystallographica Section E","2012","68","4","m462","m463","10.1107/S1600536812011439","","","0.71073","MoKα","","0.0815","0.0559","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234325","7.6603","0.0003","15.7249","0.0006","20.8434","0.0008","90","","94.069","0.002","90","","2504.41","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3β-Chloro-5α-cholestan-6-one","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C108 H180 Cl4 O4 -","4","2","LH5434","Yusufzai, Samina Khan; Osman, Hasnah; Rahim, Aisyah Saad Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-5α-cholestan-6-one","Acta Crystallographica Section E","2012","68","4","o1211","o1212","10.1107/S1600536812012482","","","0.71073","MoKα","","0.098","0.0666","","","0.1598","0.1789","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234326","11.735","0.006","7.698","0.004","17.065","0.007","90","","110.45","0.03","90","","1444.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1H-1,2,4- triazol-1-yl)prop-2-en-1-one","","- C17 H10 F3 N3 O -","- C17 H10 F3 N3 O -","- C68 H40 F12 N12 O4 -","4","1","LH5435","Yin, Ben-Tao; Lv, Jing-Song; Wang, Yan; Zhou, Cheng-He","(Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1197","","10.1107/S1600536812012123","","","0.71073","MoKα","","0.0601","0.0417","","","0.0895","0.0996","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234327","7.983","0.006","10.188","0.008","11.691","0.005","83.13","0.05","79.01","0.05","78.27","0.06","910.7","1.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[d][1,2]iodoxole","","- C9 H10 F I O -","- C9 H10 F I O -","- C36 H40 F4 I4 O4 -","4","2","LH5436","Legault, Claude Y.; Prévost, Julie","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[d][1,2]iodoxole","Acta Crystallographica Section E","2012","68","4","o1238","","10.1107/S1600536812012822","","","0.71073","MoKα","","0.0407","0.0295","","","0.0701","0.0732","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234328","8.3321","0.0004","19.4037","0.0011","27.5887","0.0014","90","","90","","90","","4460.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N-[2,4-dicyano-1-(4-methoxyphenyl)-9,10- dihydrophenanthren-3-yl]acetamide","","- C27 H21 N3 O3 -","- C27 H21 N3 O3 -","- C216 H168 N24 O24 -","8","1","LH5437","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","N-Acetyl-N-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1177","o1178","10.1107/S160053681201210X","","","0.71073","MoKα","","0.0933","0.0608","","","0.1419","0.1664","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234329","13.684","0.003","9.3612","0.0019","9.758","0.002","90","","94.03","0.03","90","","1246.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea","","- C11 H14 Cl N3 O2 -","- C11 H14 Cl N3 O2 -","- C44 H56 Cl4 N12 O8 -","4","1","LH5438","Li, Yu-Feng; Jiang, Jin-He","1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea","Acta Crystallographica Section E","2012","68","4","o1219","","10.1107/S1600536812012615","","","0.71073","MoKα","","0.099","0.0448","","","0.1251","0.1801","","","","","","1.172","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234330","9.3808","0.0019","10.925","0.002","23.54","0.005","90","","90","","90","","2412.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Cyclohexylpyrrolidine-1-carbothioamide","","- C11 H20 N2 S -","- C11 H20 N2 S -","- C88 H160 N16 S8 -","8","1","LH5439","Li, Yu-Feng","N-Cyclohexylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","4","o1220","","10.1107/S1600536812012627","","","0.71073","MoKα","","0.0826","0.0531","","","0.1653","0.1903","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234331","7.17","0.0002","9.94","0.0002","12.2508","0.0003","83.484","0.001","77.907","0.001","85.707","0.001","847.05","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","","- C18 H17 Cl O3 S -","- C18 H17 Cl O3 S -","- C36 H34 Cl2 O6 S2 -","2","1","LR2052","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfonyl)-5-isopropyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o942","","10.1107/S1600536812008525","","","0.71073","MoKα","","0.054","0.0463","","","0.1246","0.1317","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234332","6.1701","0.0001","11.667","0.0002","12.1123","0.0003","112.965","0.001","99.114","0.001","103.698","0.001","748.7","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C34 H30 Cl2 O4 S2 -","2","1","LR2053","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","4","o943","","10.1107/S1600536812008537","","","0.71073","MoKα","","0.0375","0.0341","","","0.0937","0.0963","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234333","11.7112","0.0013","13.5403","0.0015","14.1328","0.0011","90","","124.483","0.006","90","","1847.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-benzoato-κ^3^O,O':O; κ^3^O:O,O'-bis[aqua(nitrato-κO)(1,10- phenanthroline-κ^2^N,N')lead(II)]","","- C38 H30 N6 O12 Pb2 -","- C38 H30 N6 O12 Pb2 -","- C76 H60 N12 O24 Pb4 -","2","0.5","LR2055","Cheng, Yuanzheng; Yan, Fang; Shi, Weiwei; Zhang, Liping","Di-μ-benzoato-κ^3^O,O':O;κ^3^O:O,O'-bis[aqua(nitrato-κO)(1,10-phenanthroline-κ^2^N,N')lead(II)]","Acta Crystallographica Section E","2012","68","4","m528","m529","10.1107/S1600536812012974","","","0.71073","MoKα","","0.0277","0.0218","","","0.0488","0.0511","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234334","10.8763","0.0003","13.3802","0.0003","13.992","0.0004","102.359","0.002","103.585","0.002","105.137","0.002","1826.44","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate","","- C40 H34 N6 O11 Zn -","- C40 H34 N6 O11 Zn -","- C80 H68 N12 O22 Zn2 -","2","1","MW2050","Mirzaei, M.; Eshtiagh-Hosseini, H.; Eydizadeh, E.; Yousefi, Z.; Molčanov, K.","Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate","Acta Crystallographica Section E","2012","68","4","m355","m356","10.1107/S1600536812005764","","","1.54184","CuKα","","","0.0323","","","","0.0908","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234335","10.149","0.005","6.715","0.003","13.08","0.005","90","","104.397","0.004","90","","863.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(pyrazine-2-carboxamide-κ^2^N^1^,O)cobalt(II) dinitrate","","- C10 H14 Co N8 O10 -","- C10 H14 Co N8 O10 -","- C20 H28 Co2 N16 O20 -","2","0.5","MW2053","Pannu, Ajay Pal Singh; Lee, Seona; Lee, Yongjae","Diaquabis(pyrazine-2-carboxamide-κ^2^N^1^,O)cobalt(II) dinitrate","Acta Crystallographica Section E","2012","68","4","m512","m513","10.1107/S1600536812012573","","","0.71069","MoKα","","0.0349","0.033","","","","0.0971","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234336","9.0503","0.0002","17.8711","0.0004","13.9552","0.0003","90","","102.133","0.001","90","","2206.68","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetylacetonato-κ^2^O,O')[(2-bromophenyl)diphenylphosphane- κP]carbonylrhodium(I)","","- C24 H21 Br O3 P Rh -","- C24 H21 Br O3 P Rh -","- C96 H84 Br4 O12 P4 Rh4 -","4","1","MW2054","Davis, Wade L.; Meijboom, Reinout","(Acetylacetonato-κ^2^O,O')[(2-bromophenyl)diphenylphosphane-κP]carbonylrhodium(I)","Acta Crystallographica Section E","2012","68","4","m482","","10.1107/S1600536812011944","","","1.54178","CuKα","","0.0193","0.0192","","","0.0466","0.0467","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234337","19.8389","0.0004","6.35013","0.0001","12.3827","0.0002","90","","107.407","0.002","90","","1488.53","0.05","199","1","199","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrafluoro-1,4-bis(trimethylsilyl)benzene","","- C12 H18 F4 Si2 -","- C12 H18 F4 Si2 -","- C48 H72 F16 Si8 -","4","1","MW2055","Finze, Maik; Reiss, Guido J.; Frohn, Hermann-Josef","2,3,5,6-Tetrafluoro-1,4-bis(trimethylsilyl)benzene","Acta Crystallographica Section E","2012","68","4","o1082","","10.1107/S1600536812010677","","","0.71073","MoKα","","0.0287","0.027","","","0.0673","0.0684","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234338","7.4115","0.0015","7.9727","0.0016","8.7948","0.0018","66.43","0.03","82.14","0.03","85.78","0.03","471.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Allylmorpholin-4-ium bromide","","- C7 H14 Br N O -","- C7 H14 Br N O -","- C14 H28 Br2 N2 O2 -","2","1","MW2056","Han, Meng Ting","4-Allylmorpholin-4-ium bromide","Acta Crystallographica Section E","2012","68","4","o1089","","10.1107/S1600536812010793","","","0.71073","MoKα","","0.051","0.0392","","","0.0923","0.0987","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234339","7.9004","0.0002","10.9961","0.0003","29.2289","0.0008","90","","90","","90","","2539.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","","- C23 H30 O12 -","- C23 H30 O12 -","- C92 H120 O48 -","4","1","MW2057","Zipp, Caitlin F.; Fernandes, Manuel; Marques, Helder M.; Michael, Joseph P.","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside","Acta Crystallographica Section E","2012","68","4","o1202","","10.1107/S160053681201121X","","","0.71073","MoKα","","0.0614","0.0424","","","0.0948","0.1016","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234340","13.567","0.003","11.572","0.003","15.595","0.004","90","","92.54","0.003","90","","2446","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato- κ^4^O,O':O'',O'''}bis[(2,2'-bipyridine- κ^2^N,N')cadmium]","","- C54 H44 Cd2 N4 O8 S2 -","- C54 H44 Cd2 N4 O8 S2 -","- C108 H88 Cd4 N8 O16 S4 -","2","0.5","MW2060","Li, Long; Ding, Yu-Qiu; Diao, Kai-Sheng","Bis{μ-2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoato-κ^4^O,O':O'',O'''}bis[(2,2'-bipyridine-κ^2^N,N')cadmium]","Acta Crystallographica Section E","2012","68","4","m511","","10.1107/S1600536812013049","","","0.71073","MoKα","","0.0551","0.0363","","","0.0826","0.0897","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234341","5.1912","0.001","7.3362","0.0015","8.076","0.0016","72.38","0.03","73.35","0.03","72.06","0.03","272.47","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(pyrazine-2-carboxylato)copper(II)]-μ- pyrazine-2-carboxylato]","","- C11.12 H7.12 Cu N2.88 O4 -","- C11.12 H7.12 Cu N2.88 O4 -","- C11.12 H7.12 Cu N2.88 O4 -","1","0.5","MW2061","Albanez, Joselyn; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías","Disorder in the anionic part of catena-poly[[(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]","Acta Crystallographica Section E","2012","68","4","m498","m499","10.1107/S1600536812012378","","","0.71073","MoKα","","0.0223","0.0216","","","0.0583","0.0588","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234342","10.6415","0.0008","7.337","0.0006","11.16","0.001","90","","107.38","0.005","90","","831.55","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Alloxan-5-thiosemicarbazone","1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide","","- C5 H5 N5 O3 S -","- C5 H5 N5 O3 S -","- C20 H20 N20 O12 S4 -","4","1","NC2271","Bittencourt, Viviane C. D.; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","4","o1187","","10.1107/S1600536812012007","","","0.71073","MoKα","","0.1435","0.0555","","","0.1132","0.1478","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234343","8.4865","0.0001","10.0846","0.0002","16.829","0.0003","90","","90","","90","","1440.28","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-3-methyl-2-phenyl- 2,3-dihydrothiazolo[2,3-b]quinazolin-5-one","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","NK2145","Ghorab, Mostafa. M.; Al-Said, Mansour. S.; Abdel-Kader, Maged. S.; Hemamalini, Madhukar; Fun, Hoong-Kun","Absolute configuration of (1S,2S)-3-methyl-2-phenyl-2,3-dihydrothiazolo[2,3-b]quinazolin-5-one","Acta Crystallographica Section E","2012","68","4","o927","o928","10.1107/S160053681200832X","","","1.54178","CuKα","","0.0442","0.043","","","0.1076","0.1089","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234344","4.9542","0.0014","6.4194","0.0018","8.418","0.002","79.29","0.004","79.351","0.004","88.64","0.004","258.51","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,4-Phenylenebis(methylene) dicarbamate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","1","0.5","NK2147","Li, Zhi","1,4-Phenylenebis(methylene) dicarbamate","Acta Crystallographica Section E","2012","68","4","o1227","","10.1107/S1600536812012718","","","0.71073","MoKα","","0.0439","0.0379","","","0.0947","0.0998","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234345","7.611","0.002","13.394","0.004","22.552","0.007","75.012","0.004","84.682","0.004","79.067","0.004","2178.2","1.1","100","","100","","","","","","","","","3","P -1","-P 1","2","4,16-dibromo-8,12-dibutyltetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca- 1(10),2(7),3,5,8,11,13(18),14,16-nonaene","2,11-Dibromo-5,8-dibutyl[4]helicene","","- C26 H26 Br2 -","- C26 H26 Br2 -","- C104 H104 Br8 -","4","2","NK2148","Isobe, Hiroyuki; Matsuno, Taisuke; Hitosugi, Shunpei; Nakanishi, Waka","2,11-Dibromo-5,8-dibutyl[4]helicene","Acta Crystallographica Section E","2012","68","4","o1239","","10.1107/S1600536812013141","","","0.71073","MoKα","","0.0536","0.0322","","","0.064","0.0693","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234346","8.0145","0.0005","8.9218","0.0006","13.0874","0.0008","91.65","0.03","99.65","0.03","115.091","0.01","830.26","0.16","296","1","296","1","","","","","","","","5","P -1","-P 1","2","9-fluoro-2,3-dihydro-3-methyl-10-(4-methylpiperazin-1-yl)- 7-oxo-7H-pyrido[1,2,3-ij][1,2,4]benzoxadiazine-6-carboxylic acid","7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2- diazatricyclo[7.3.1.0^5,13^]trideca-5,7,9(13),11-tetraene-11-carboxylic acid","","- C17 H19 F N4 O4 -","- C17 H19 F N4 O4 -","- C34 H38 F2 N8 O8 -","2","1","NR2019","Shen, Jin; Qian, Jing-Jing; Gu, Jian-Ming; Hu, Xiu-Rong","Marbofloxacin","Acta Crystallographica Section E","2012","68","4","o998","o999","10.1107/S1600536812009312","","","0.71073","MoKα","","0.1267","0.0554","","","0.1241","0.2025","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234347","7.4419","0.0004","18.4394","0.0008","8.3517","0.0004","90","","108.301","0.005","90","","1088.09","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Doxylaminium (R,R)-tartrate","(R)-dimethyl{2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl}azanium (R,R)-3-carboxy-2,3-dihydroxypropanoate","","- C21 H28 N2 O7 -","- C21 H28 N2 O7 -","- C42 H56 N4 O14 -","2","1","NR2021","Dayananda, A.S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej","(R)-Doxylaminium (R,R)-tartrate","Acta Crystallographica Section E","2012","68","4","o1054","o1055","10.1107/S160053681200935X","","","0.7107","MoKα","","0.0406","0.0354","","","0.0752","0.079","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234348","10.249","0.002","10.619","0.002","10.752","0.002","64.14","0.03","67.34","0.03","80.36","0.03","971.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cu2 N2 O8 -","- C42 H38 Cu2 N2 O8 -","- C42 H38 Cu2 N2 O8 -","1","0.5","PK2382","Guo, Qian; Wang, Ping; Liu, Fu-Chen","Tetra-μ-benzoato-bis[(3,5-dimethylpyridine)copper(II)]","Acta Crystallographica Section E","2012","68","4","m437","","10.1107/S1600536812008604","","","0.71073","MoKα","","0.1075","0.0668","","","0.1421","0.162","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234349","12.2113","0.0007","7.3439","0.0005","16.365","0.001","90","","100.616","0.004","90","","1442.47","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κN] palladium(II)","","- C32 H30 Cl2 Fe2 N2 O2 Pd -","- C32 H30 Cl2 Fe2 N2 O2 Pd -","- C64 H60 Cl4 Fe4 N4 O4 Pd2 -","2","0.5","PK2391","Motswainyana, William M.; Onani, Martin O.; Lalancette, Roger A.","Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κN]palladium(II)","Acta Crystallographica Section E","2012","68","4","m387","","10.1107/S1600536812009191","","","1.54178","CuKα","","0.071","0.043","","","0.096","0.109","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234350","17.9615","0.0005","11.2633","0.0003","19.5904","0.0006","90","","90","","90","","3963.3","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2H-1λ^6^,2-benzothiazine-1,1,4-trione","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","PK2393","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","4","o978","o979","10.1107/S1600536812009002","","","0.71073","MoKα","","0.1046","0.0684","","","0.114","0.1329","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234351","10.2562","0.0003","10.9602","0.0003","11.3861","0.0004","116.546","0.0015","105.322","0.0013","97.2383","0.0014","1059.17","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)- 2H-1λ^6^,2-benzothiazine-1,1-dione","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C48 H36 Cl2 N2 O12 S2 -","2","1","PK2394","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2H-1λ^6^,2-benzothiazine-1,1-dione","Acta Crystallographica Section E","2012","68","4","o980","o981","10.1107/S1600536812009014","","","0.71073","MoKα","","0.0436","0.0381","","","0.0958","0.1016","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234352","7.2656","0.0002","11.4237","0.0004","12.8997","0.0005","97.147","0.002","96.934","0.002","91.166","0.002","1053.91","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2H- 1λ^6^,2-benzothiazin-2-yl]ethanone","","- C24 H18 Cl N O6 S -","- C24 H18 Cl N O6 S -","- C48 H36 Cl2 N2 O12 S2 -","2","1","PK2395","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Ashraf, Chaudhary Muhammad; Parvez, Masood","1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2H-1λ^6^,2-benzothiazin-2-yl]ethanone","Acta Crystallographica Section E","2012","68","4","o1058","o1059","10.1107/S160053681201029X","","","0.71073","MoKα","","0.0732","0.0543","","","0.0992","0.1109","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234353","11.8823","0.0014","7.8835","0.0009","24.835","0.003","90","","90","","90","","2326.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,6-diiodo-9H-carbazole","3,6-Diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C96 H56 I16 N8 -","8","1","PK2397","Xie, Yu-Zhong; Jin, Jing-Yi; Jin, Guang-De","3,6-Diiodo-9H-carbazole","Acta Crystallographica Section E","2012","68","4","o1242","","10.1107/S1600536812012901","","","0.71073","MoKα","","0.04","0.0256","","","0.0482","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234354","7.8228","0.0002","11.5596","0.0003","19.2421","0.0013","90","","97.384","0.007","90","","1725.6","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-[(7-chloroquinolin-4-yl)sulfanyl]quinoline dihydrate","","- C18 H14 Cl2 N2 O2 S -","- C18 H14 Cl2 N2 O2 S -","- C72 H56 Cl8 N8 O8 S4 -","4","1","PK2399","Wardell, James L.; Tiekink, Edward R. T.","7-Chloro-4-[(7-chloroquinolin-4-yl)sulfanyl]quinoline dihydrate","Acta Crystallographica Section E","2012","68","4","o1117","","10.1107/S1600536812011087","","","0.71073","MoKα","","0.0309","0.0271","","","0.0738","0.0761","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234355","10.3721","0.0019","20.666","0.004","9.1954","0.0018","90","","104.365","0.005","90","","1909.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diazepan-2-yl)acetate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","PV2512","Jagadeesan, G.; Sethusankar, K.; Selvakumar, P.; Thennarasu, S.; Mandal, A. B.","Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diazepan-2-yl)acetate","Acta Crystallographica Section E","2012","68","4","o1034","","10.1107/S160053681200757X","","","0.71073","MoKα","","0.0876","0.0536","","","0.1362","0.1628","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234356","12.1879","0.0017","12.2371","0.0015","13.6798","0.0017","83.971","0.01","86.919","0.011","87.744","0.01","2024.9","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","N,N'-Diethyl-N,N'-diphenylpyridine-2,6-dicarboxamide","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","2","PV2514","Klepetářová, Blanka; Makrlík, Emanuel; Babain, Vasily A.; Kašička, Václav","N,N'-Diethyl-N,N'-diphenylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2012","68","4","o1099","o1100","10.1107/S1600536812009026","","","1.54184","CuKα","","0.1223","0.0586","","0.1063","0.0618","0.0618","","","","","","1.1414","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234357","8.5045","0.0009","7.2551","0.0008","21.556","0.002","90","","94.72","0.002","90","","1325.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,6,8-tribromo-7-ethylamino-4-methyl-2H-chromen-2-one","3,6,8-Tribromo-7-ethylamino-4-methyl-2H-chromen-2-one","","- C12 H10 Br3 N O2 -","- C12 H10 Br3 N O2 -","- C48 H40 Br12 N4 O8 -","4","1","PV2515","Zhang, Ting; Xi, Hai-tao; Miao, Chun-bao; Chen, Liang; Sun, Xiao-qiang","3,6,8-Tribromo-7-ethylamino-4-methyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1013","","10.1107/S1600536812009221","","","0.71073","MoKα","","0.0435","0.0316","","","0.0929","0.0985","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234358","4.0956","0.0005","13.3066","0.0017","13.3656","0.0016","90","","92.711","0.007","90","","727.59","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","","- C16 H14 Cl2 O3 -","- C16 H14 Cl2 O3 -","- C32 H28 Cl4 O6 -","2","1","PV2517","Adeel, Muhammad; Langer, Peter; Hein, Martin; Reinke, Helmut","Methyl 4',5-dichloro-2-hydroxy-4,6-dimethylbiphenyl-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1224","","10.1107/S1600536812012676","","","0.71073","MoKα","","0.0385","0.0302","","","0.07","0.0742","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234359","7.5363","0.0019","18.178","0.005","16.973","0.004","90","","94.465","0.005","90","","2318.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)- 2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C26 H26 N2 O6 S -","- C26 H26 N2 O6 S -","- C104 H104 N8 O24 S4 -","4","1","PV2518","Banu, Noor Afshan; Bheema Raju, V.","Ethyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","4","o1213","","10.1107/S1600536812012354","","","0.71073","MoKα","","0.0903","0.058","","","0.1403","0.1677","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234360","18.33","0.003","14.412","0.003","9.1915","0.0017","90","","115.044","0.002","90","","2199.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(azido-κN)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine- κ^2^N^1^,N^6^]manganese(II)","","- C16 H16 Mn N18 -","- C16 H16 Mn N18 -","- C64 H64 Mn4 N72 -","4","0.5","PV2519","Wang, Kun-Miao; Liu, Zhi-Hua; Zheng, Qi; Liu, Chun-Bo; Miao, Ming-Ming","Bis(azido-κN)bis[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ^2^N^1^,N^6^]manganese(II)","Acta Crystallographica Section E","2012","68","4","m427","","10.1107/S160053681201046X","","","0.71073","MoKα","","0.0955","0.0464","","","0.088","0.1056","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234361","14.554","0.004","8.836","0.002","11.563","0.003","90","","105.427","0.006","90","","1433.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate","","- C13 H12 Br N3 O4 -","- C13 H12 Br N3 O4 -","- C52 H48 Br4 N12 O16 -","4","1","PV2520","Zeb, Aurang; Yousuf, Sammer; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate","Acta Crystallographica Section E","2012","68","4","o1218","","10.1107/S1600536812012688","","","0.71073","MoKα","","0.0588","0.0421","","","0.1026","0.1136","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234362","9.851","0.002","23.461","0.006","9.416","0.002","90","","111.229","0.005","90","","2028.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(2-bromobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro- 5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C22 H17 Br N2 O4 S -","- C22 H17 Br N2 O4 S -","- C88 H68 Br4 N8 O16 S4 -","4","1","PV2521","Nagarajaiah, H.; Fathima, Nikhath; Begum, Noor Shahina","Methyl 2-(2-bromobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","4","o1257","o1258","10.1107/S1600536812013311","","","0.71073","MoKα","","0.112","0.0588","","","0.1394","0.1779","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234363","4.9934","0.0013","6.7454","0.0017","12.446","0.003","97.572","0.012","100.524","0.013","98.933","0.013","401.59","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-3-carboxy-1H-1,2,4-triazol-4-ium nitrate monohydrate","","- C3 H7 N5 O6 -","- C3 H7 N5 O6 -","- C6 H14 N10 O12 -","2","1","PV2522","Berrah, Fadila; Bouchene, Rafika; Bouacida, Sofiane; Roisnel, Thierry","5-Amino-3-carboxy-1H-1,2,4-triazol-4-ium nitrate monohydrate","Acta Crystallographica Section E","2012","68","4","o1116","","10.1107/S1600536812011154","","","0.71073","MoKα","","0.0478","0.0404","","","0.1025","0.1085","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234364","41.307","0.004","4.5993","0.0003","12.2229","0.0013","90","","93.653","0.012","90","","2317.4","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[N-(4-{4-[(2-Hydroxy-5- methoxybenzylidene)amino]benzyl}phenyl)carboximidoyl]-4-methoxyphenol","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C116 H104 N8 O16 -","4","0.5","QK2024","Ourari, Ali; Baameur, Lotfi; Bouet, Gilles; Allain, Magali","2-[N-(4-{4-[(2-Hydroxy-5-methoxybenzylidene)amino]benzyl}phenyl)carboximidoyl]-4-methoxyphenol","Acta Crystallographica Section E","2012","68","4","o1141","","10.1107/S1600536812010550","","","0.71073","MoKα","","0.052","0.0387","","","0.1102","0.1163","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234365","6.5324","0.0007","11.7519","0.0012","17.4204","0.0018","90","","97.723","0.002","90","","1325.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","QK2030","Lou, Yongbing","Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate","Acta Crystallographica Section E","2012","68","4","o1152","","10.1107/S1600536812011737","","","0.71073","MoKα","","0.0561","0.0479","","","0.1316","0.1399","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234366","15.339","0.003","5.704","0.0008","22.786","0.004","90","","107.166","0.002","90","","1904.8","0.6","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]- 4,5-dihydro-1,3-oxazole","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C80 H88 N8 O12 S4 -","4","1","QK2035","Caracelli, Ignez; Zukerman-Schpector, Julio; Villar, José A. F. P.; Oliveira, Alfredo R. M.; Tiekink, Edward R. T.","4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","4","o1225","o1226","10.1107/S1600536812012512","","","0.71073","MoKα","","0.05","0.047","","","0.112","0.114","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234367","7.9919","0.0011","9.3696","0.0014","14.195","0.002","94.525","0.012","103.687","0.012","103.252","0.012","995.2","0.3","296","1","296","1","101","2","","","","","","4","P -1","-P 1","2","9-(Dicyanomethylidene)fluorene; tetrathiafulvalene","9-(Dicyanomethylidene)fluorene‒2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiole (1/1)","","- C22 H12 N2 S4 -","- C22 H12 N2 S4 -","- C44 H24 N4 S8 -","2","1","QM2055","Salmerón-Valverde, Amparo; Bernès, Sylvain","9-(Dicyanomethylidene)fluorene‒tetrathiafulvalene (1/1)","Acta Crystallographica Section E","2012","68","4","o932","","10.1107/S1600536812008124","","","0.71073","MoKα","","0.1405","0.0481","","","0.089","0.1189","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234368","9.3329","0.0019","13.561","0.003","16.894","0.003","90","","100.7","0.03","90","","2101","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^N,N',O^6^)(6'- carboxy-2,2'-bipyridine-6-carboxylato- κ^3^N,N',O^6^)cobalt(III)","","- C24 H13 Co N4 O8 -","- C24 H13 Co N4 O8 -","- C96 H52 Co4 N16 O32 -","4","1","QM2056","Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan","(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^N,N',O^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^N,N',O^6^)cobalt(III)","Acta Crystallographica Section E","2012","68","4","m411","m412","10.1107/S1600536812009816","","","0.71073","MoKα","","0.0453","0.0382","","","0.0872","0.0912","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234369","7.6498","0.0015","14.338","0.003","16.884","0.002","90","","103.076","0.002","90","","1803.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","","- C17 H19 Cl2 N3 O3 -","- C17 H19 Cl2 N3 O3 -","- C68 H76 Cl8 N12 O12 -","4","1","QM2057","Xu, Huanzhi; Sun, Jingya","N'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1042","","10.1107/S1600536812010148","","","0.71073","MoKα","","0.1423","0.0785","","","0.1564","0.1802","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234370","7.3677","0.0015","8.1353","0.0016","15.107","0.003","90","","90","","90","","905.5","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato- κ^3^O^2^:O^2^,O^2'^]","","- C6 H8 O8 Zn -","- C6 H8 O8 Zn -","- C24 H32 O32 Zn4 -","4","0.5","QM2058","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan","catena-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ^3^O^2^:O^2^,O^2'^]","Acta Crystallographica Section E","2012","68","4","m500","","10.1107/S1600536812012111","","","0.71073","MoKα","","0.0857","0.0825","","","0.2212","0.2238","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234371","10.741","0.0013","10.1175","0.001","10.1874","0.0011","90","","94.488","0.004","90","","1103.7","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-5,6-dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxin- 2-ium tetrafluoroborate","","- C6 H7 B F4 O2 S3 -","- C6 H7 B F4 O2 S3 -","- C24 H28 B4 F16 O8 S12 -","4","1","RK2328","Zhou, Guoquan; Chen, Xinzhi","2-Methylsulfanyl-5,6-dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxin-2-ium tetrafluoroborate","Acta Crystallographica Section E","2012","68","4","o949","","10.1107/S1600536812005326","","","0.71075","MoKα","","0.073","0.0633","","","0.1665","0.1743","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234372","18.646","0.004","12.068","0.002","10.741","0.002","90","","120.76","0.03","90","","2076.9","0.9","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabis(1H-imidazole-κN^3^)cobalt(II)]- μ-2,3,5,6-tetrachloroterephthalato-κ^2^O^1^:O^4^]","","- C14 H12 Cl4 Co N4 O6 -","- C14 H12 Cl4 Co N4 O6 -","- C56 H48 Cl16 Co4 N16 O24 -","4","0.5","RK2332","Zheng, Chang-Ge; Zhang, Peng; Li, Ping; Zhang, Pei-Pei","catena-Poly[[diaquabis(1H-imidazole-κN^3^)cobalt(II)]-μ-2,3,5,6-tetrachloroterephthalato-κ^2^O^1^:O^4^]","Acta Crystallographica Section E","2012","68","4","m368","","10.1107/S1600536812005429","","","0.71073","MoKα","","0.0439","0.0321","","","0.0725","0.0781","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234373","7.318","0.005","9.06","0.005","12.011","0.005","87.196","0.005","80.477","0.005","83.795","0.005","780.4","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-chlorophenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile","","- C17 H14 Cl N5 -","- C16.999 H14 Cl N5 -","- C33.998 H28 Cl2 N10 -","2","1","RK2335","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","2-Amino-4-(4-chlorophenyl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1000","","10.1107/S1600536812009051","","","0.71073","MoKα","","0.0915","0.0421","","","0.0877","0.0966","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2234374","6.6446","0.0013","8.0106","0.0016","12.847","0.003","90.51","0.03","101.85","0.03","107.76","0.03","635.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]malononitrile","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]propanedinitrile","","- C14 H14 N4 -","- C14 H14 N4 -","- C28 H28 N8 -","2","1","RK2338","Liu, Xiao-Wei; Xu, Liang-Zhong","2-[1-(1-Phenylethyl)imidazolidin-2-ylidene]malononitrile","Acta Crystallographica Section E","2012","68","4","o1203","","10.1107/S1600536812010823","","","0.71073","MoKα","","0.0623","0.0437","","","0.1189","0.1446","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234375","21.2631","0.0011","30.0347","0.0016","8.6228","0.0005","90","","90","","90","","5506.8","0.5","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis{N-[(diethylamino)dimethylsilyl]anilinido- κ^2^N,N'}nickel(II)","","- C24 H42 N4 Ni Si2 -","- C24 H42 N4 Ni Si2 -","- C192 H336 N32 Ni8 Si16 -","8","0.5","RK2340","Chen, Juan; Li, Jing","Bis{N-[(diethylamino)dimethylsilyl]anilinido-κ^2^N,N'}nickel(II)","Acta Crystallographica Section E","2012","68","4","m357","","10.1107/S1600536812008550","","","0.71073","MoKα","","0.0462","0.0399","","","0.1001","0.1041","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234376","26.17","0.004","26.17","0.004","5.7775","0.0016","90","","90","","90","","3956.8","1.4","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1-(2-Hydroxyethyl)-3-phenylthiourea","","- C9 H12 N2 O S -","- C9 H12 N2 O S -","- C144 H192 N32 O16 S16 -","16","1","RK2342","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Potgieter, Herman","1-(2-Hydroxyethyl)-3-phenylthiourea","Acta Crystallographica Section E","2012","68","4","o1162","","10.1107/S160053681201183X","","","0.71073","MoKα","","0.0679","0.0478","","","0.1027","0.1096","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234377","7.696","0.003","22.658","0.008","16.03","0.006","90","","90","","90","","2795.2","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Bromobutyl)-9H-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","RK2343","Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He","9-(4-Bromobutyl)-9H-carbazole","Acta Crystallographica Section E","2012","68","4","o1112","","10.1107/S1600536812010987","","","0.71073","MoKα","","0.1193","0.0496","","","0.1177","0.1452","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234378","8.2295","0.0002","17.0921","0.0006","9.1683","0.0003","90","","109.22","0.001","90","","1217.73","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(methacrylato-κO)bis(2,4,6-trimethylpyridine-κN)copper(II)","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C48 H64 Cu2 N4 O8 -","2","0.5","RN2095","Ejaz; Khan, Islam Ullah; Murtaza, Alina; Harrison, William T. A.","Bis(methacrylato-κO)bis(2,4,6-trimethylpyridine-κN)copper(II)","Acta Crystallographica Section E","2012","68","4","m469","m470","10.1107/S1600536812009919","","","0.71073","MoKα","","0.0423","0.0315","","","0.0919","0.0981","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234379","14.5648","0.0003","12.9374","0.0003","16.1619","0.0003","90","","103.9","0.001","90","","2956.22","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium 3,5-dinitrosalicylate","4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C33 H32 N4 O7 -","- C33 H32 N4 O7 -","- C132 H128 N16 O28 -","4","1","RN2101","Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Cinnarizinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2012","68","4","o1165","o1166","10.1107/S1600536812011518","","","0.71073","MoKα","","0.062","0.0508","","","0.1383","0.1484","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234380","7.893","0.002","7.034","0.002","12.166","0.004","90","","101.154","0.003","90","","662.7","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","RN2102","Gao, Xue; Chen, Gang","5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide","Acta Crystallographica Section E","2012","68","4","o1208","","10.1107/S1600536812012470","","","0.71073","MoKα","","0.0427","0.036","","","0.0799","0.0835","","","","","","1.082","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234381","13.014","0.002","24.17","0.003","5.088","0.0009","90","","90","","90","","1600.4","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","trisodium tetraniobium triarsenic nonadecaoxide","","- As3 Na3 Nb4 O19 -","- As3 Na3.001 Nb4 O19 -","- As12 Na12.004 Nb16 O76 -","4","0.5","RU2026","Chérif, Saïda Fatma; Hizaoui, Khaled; Zid, Mohamed Faouzi; Driss, Ahmed","Non-centrosymmetric Na~3~Nb~4~As~3~O~19~","Acta Crystallographica Section E","2012","68","4","i25","i26","10.1107/S1600536812010537","","","0.71073","MoKα","","0.0408","0.0288","","","0.0712","0.0763","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234382","11.4406","0.0005","10.0256","0.0004","22.3155","0.001","90","","92.91","0.001","90","","2556.26","0.19","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(Prop-2-ynyl)-5H-dibenzo[b,f]azepine","","- C17 H13 N -","- C17 H13 N -","- C136 H104 N8 -","8","2","RZ2705","Yousuf, S.; Khan, M.; Fazal, S.; Butt, M.; Basha, F. Z.","5-(Prop-2-ynyl)-5H-dibenzo[b,f]azepine","Acta Crystallographica Section E","2012","68","4","o1101","","10.1107/S1600536812007866","","","0.71073","MoKα","","0.0895","0.0476","","","0.1084","0.1289","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234383","7.8281","0.0016","8.4873","0.0017","10.054","0.002","80.35","0.03","77.72","0.03","79.46","0.03","635.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-nitrito-κ^2^O:O)bis[bis(1-methyl-1H-imidazole- κN^3^)(nitrito-κO)copper(II)]","","- C16 H24 Cu2 N12 O8 -","- C16 H24 Cu2 N12 O8 -","- C16 H24 Cu2 N12 O8 -","1","0.5","RZ2715","Zhu, Run-Qiang","Bis(μ-nitrito-κ^2^O:O)bis[bis(1-methyl-1H-imidazole-κN^3^)(nitrito-κO)copper(II)]","Acta Crystallographica Section E","2012","68","4","m398","","10.1107/S1600536812009804","","","0.71073","MoKα","","0.0466","0.0368","","","0.0868","0.0909","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234384","7.6114","0.0014","12.01","0.002","15.317","0.003","84.546","0.003","85.927","0.002","72.435","0.003","1327.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^S,S')nickelate(III)","","- C26 H23 N2 Ni O2 S4 -","- C26 H23 N2 Ni O2 S4 -","- C52 H46 N4 Ni2 O4 S8 -","2","1","RZ2716","Liu, Guang-Xiang","3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^S,S')nickelate(III)","Acta Crystallographica Section E","2012","68","4","m407","","10.1107/S1600536812009828","","","0.71073","MoKα","","0.105","0.0475","","","0.0601","0.0692","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234385","10.1013","0.0003","5.7749","0.0002","11.2295","0.0003","90","","95.207","0.001","90","","652.36","0.03","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl acetate","8-O-Acetyl-8-epi-9-deoxygoniopypyrone","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","RZ2717","Fun, Hoong-Kun; Chantrapromma, Suchada; Prawat, Uma; Boonnak, Nawong; Razak, Ibrahim Abdul","8-O-Acetyl-8-epi-9-deoxygoniopypyrone","Acta Crystallographica Section E","2012","68","4","o1072","o1073","10.1107/S1600536812010483","","","0.71073","MoKα","","0.0274","0.0267","","","0.0732","0.0738","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234386","16.6174","0.0002","10.5178","0.0001","9.6758","0.0001","90","","96.345","0.001","90","","1680.76","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)- 2,2-dimethylpropan-1-one","","- C16 H22 N2 O S2 -","- C16 H22 N2 O S2 -","- C64 H88 N8 O4 S8 -","4","1","RZ2718","Yusof, Mohd Sukeri Mohd; Mutalib, Fatimah Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one","Acta Crystallographica Section E","2012","68","4","o1228","","10.1107/S1600536812012639","","","0.71073","MoKα","","0.0555","0.0392","","","0.0838","0.0915","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234387","8.7676","0.0008","6.4662","0.0006","11.1677","0.0012","90","","105.29","0.001","90","","610.72","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Anilino-1-(isopropylamino)propan-2-ol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C24 H40 N4 O2 -","2","1","RZ2719","Hou, Xuehui; Hu, Ping; Lv, Quanjian","3-Anilino-1-(isopropylamino)propan-2-ol","Acta Crystallographica Section E","2012","68","4","o1264","","10.1107/S1600536812013256","","","0.71073","MoKα","","0.0695","0.0458","","","0.1048","0.1156","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234388","10.162","0.002","10.486","0.002","12.64","0.003","99.315","0.004","93.14","0.004","90.196","0.004","1327","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6,6'-Dimethoxy-2,2'-[(E,E')-(2,4,6-trimethyl-1,3- phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate","","- C26 H27 Cl3 N2 O4 -","- C26 H27 Cl3 N2 O4 -","- C52 H54 Cl6 N4 O8 -","2","1","RZ2720","Bahron, Hadariah; Bakar, Najihah Abu; Yamin, Bohari M.; Yusof, M. Sukeri M.","6,6'-Dimethoxy-2,2'-[(E,E')-(2,4,6-trimethyl-1,3-phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate","Acta Crystallographica Section E","2012","68","4","o1176","","10.1107/S1600536812011531","","","0.71073","MoKα","","0.0652","0.0507","","","0.1357","0.1497","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234389","8.745","0.0017","11.635","0.002","13.967","0.003","84.07","0.03","78.8","0.03","80.48","0.03","1371.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3- methoxyphenyl)prop-2-en-1-one","","- C31 H36 N2 O5 -","- C31 H36 N2 O5 -","- C62 H72 N4 O10 -","2","1","RZ2721","Zhong, Yan; Zhang, Xiao-Ping; Wu, Bin","(E)-1-{4-[Bis(4-methoxyphenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o1259","","10.1107/S1600536812012767","","","0.71073","MoKα","","0.1145","0.0611","","","0.1522","0.1851","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234390","8.722","0.002","7.987","0.002","39.508","0.011","90","","95.044","0.006","90","","2741.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,7-Bis(2-nitrophenyl)-9-octyl-9H-carbazole","","- C32 H31 N3 O4 -","- C32 H31 N3 O4 -","- C128 H124 N12 O16 -","4","1","RZ2725","Wrobel, Norma; Schollmeyer, Dieter; Detert, Heiner","2,7-Bis(2-nitrophenyl)-9-octyl-9H-carbazole","Acta Crystallographica Section E","2012","68","4","o1249","","10.1107/S1600536812012780","","","0.71073","MoKα","","0.1786","0.0615","","","0.103","0.1367","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234391","10.7985","0.0016","8.3971","0.0012","17.485","0.003","90","","90","","90","","1585.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azido-1-(4-fluorophenyl)ethanone","","- C8 H6 F N3 O -","- C8 H6 F N3 O -","- C64 H48 F8 N24 O8 -","8","1","RZ2730","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-fluorophenyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1268","","10.1107/S1600536812013426","","","0.71073","MoKα","","0.0407","0.0329","","","0.0852","0.0902","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234392","12.1976","0.0015","10.6555","0.0013","7.9602","0.001","90","","96.816","0.002","90","","1027.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis[4-(1H-imidazol-1-yl-κN^3^)benzoato]cobalt(II)","","- C20 H22 Co N4 O8 -","- C20 H22 Co N4 O8 -","- C40 H44 Co2 N8 O16 -","2","0.5","SJ5202","Guo, Jian; Tong, Shao-Wei; Liu, Jian-She; Song, Wen-Dong; An, Jing-Bo","Tetraaquabis[4-(1H-imidazol-1-yl-κN^3^)benzoato]cobalt(II)","Acta Crystallographica Section E","2012","68","4","m486","m487","10.1107/S1600536812010562","","","0.71073","MoKα","","0.0335","0.0315","","","0.0895","0.0919","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234393","3.8932","0.0003","9.1841","0.0006","14.8394","0.0009","90","","93.664","0.012","90","","529.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-Chloroanilinium hydrogen maleate","4-Chloroanilinium 3-carboxyprop-2-enoate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C20 H20 Cl2 N2 O8 -","2","0.5","SJ5203","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","4-Chloroanilinium 3-carboxyprop-2-enoate","Acta Crystallographica Section E","2012","68","4","o959","o960","10.1107/S1600536812008458","","","0.71073","MoKα","","0.0389","0.0368","","","0.1025","0.1056","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234394","6.2156","0.0004","33.2505","0.0015","12.1792","0.0008","90","","110.656","0.005","90","","2355.3","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C104 H140 N4 O8 -","4","1","SJ5204","Şen, Fatih; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Ibrahim","1,1'-Bis(3-methyl-3-phenylcyclobutyl)-2,2'-(azanediyl)diethanol","Acta Crystallographica Section E","2012","68","4","o1052","","10.1107/S1600536812010203","","","0.71073","MoKα","","0.2068","0.0675","","","0.1274","0.1725","","","","","","0.949","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234395","5.7574","0.0012","11.875","0.002","11.691","0.003","90","","109.15","0.03","90","","755.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sodium (R)-2-ammonio-3-sulfonatopropanoate monohydrate","poly[[μ~4~-(R)-2-ammonio-3-sulfonatopropanoato]aquasodium]","","- C3 H8 N Na O6 S -","- C3 H8 N Na O6 S -","- C12 H32 N4 Na4 O24 S4 -","4","1","SJ5205","Brown, I. David","A redetermination of the structure of poly[[μ~4~-(R)-2-ammonio-3-sulfonatopropanoato]aquasodium], originally reported as poly[[μ~7~-L-cysteato(2{-})]disodium]","Acta Crystallographica Section E","2012","68","4","m393","","10.1107/S1600536812009683","","","0.71073","MoKα","","0.0511","0.0383","","","0.0825","0.0872","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234396","6.148","0.007","8.569","0.01","11.846","0.014","69.292","0.012","85.821","0.013","83.129","0.013","579.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6,6-Dimethyl-2H,5H,6H,7H-1,3- dithiolo[4,5-f][1,5,3]dithiasilepin-2-one","","- C7 H10 O S4 Si -","- C7 H10 O S4 Si -","- C14 H20 O2 S8 Si2 -","2","1","SJ5206","Li, Hongqi; Zhang, Xuebin; Zhang, Zhongbao; Chen, Zhen; Peng, Jiajian","6,6-Dimethyl-2H,5H,6H,7H-1,3-dithiolo[4,5-f][1,5,3]dithiasilepin-2-one","Acta Crystallographica Section E","2012","68","4","o1122","","10.1107/S1600536812011142","","","0.71073","MoKα","","0.042","0.0306","","","0.0671","0.0719","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234397","15.2803","0.0003","15.2803","0.0003","16.4339","0.0007","90","","90","","90","","3837.1","0.2","200","2","200","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Dichloridobis(2-phenylpyridine-κN)zinc(II)","","- C22 H18 Cl2 N2 Zn -","- C22 H18 Cl2 N2 Zn -","- C176 H144 Cl16 N16 Zn8 -","8","0.5","SJ5207","Dharmalingam, Sivanesan; Lee, Ha-Jin; Yoon, Sungho","Dichloridobis(2-phenylpyridine-κN)zinc(II)","Acta Crystallographica Section E","2012","68","4","m431","m432","10.1107/S1600536812010616","","","0.71073","MoKα","","0.0498","0.0314","","","0.0614","0.074","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234398","10.2655","0.0006","4.6738","0.0002","12.3561","0.0008","90","","112.331","0.003","90","","548.37","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","","- C14 H12 F N O -","- C14 H12 F N O -","- C28 H24 F2 N2 O2 -","2","1","SJ5208","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","4-Fluoro-2-[(3-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","4","o1071","","10.1107/S1600536812010513","","","0.71073","MoKα","","","0.0343","","","","0.0954","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234399","9.923","0.002","11.963","0.002","15.827","0.002","95.269","0.002","98.932","0.002","103.691","0.002","1787","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N'-(4-Diethylamino-2-hydroxybenzylidene)-4-methylbenzohydrazide","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","2","SJ5209","Shen, Xi-Hai; Shao, Li-Juen; Zhu, Zhao-Fu; Zhu, Li-Xue","N'-(4-Diethylamino-2-hydroxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1078","","10.1107/S1600536812010690","","","0.71073","MoKα","","0.3024","0.0864","","","0.1657","0.2446","","","","","","0.848","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234400","17.569","0.003","8.367","0.002","19.454","0.003","90","","93.683","0.003","90","","2853.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","2","SJ5210","Tan, Yao","N'-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","4","o1079","","10.1107/S1600536812010707","","","0.71073","MoKα","","0.0656","0.0383","","","0.0892","0.1054","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234401","8.4221","0.0006","14.3704","0.0009","23.7031","0.0016","90","","90","","90","","2868.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyclooctanaminium hydrogen succinate monohydrate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C96 H200 N8 O40 -","8","1","SJ5211","Khorasani, Sanaz; Fernandes, Manuel A.","Cyclooctanaminium hydrogen succinate monohydrate","Acta Crystallographica Section E","2012","68","4","o1204","","10.1107/S1600536812011208","","","0.71073","MoKα","","0.0828","0.0504","","","0.1306","0.145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234402","8.936","0.0007","14.5007","0.0011","14.8074","0.0011","90","","103.471","0.008","90","","1865.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","SJ5212","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o1118","o1119","10.1107/S1600536812011129","","","0.71073","MoKα","","0.0927","0.0545","","","0.1144","0.1361","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234403","5.8481","0.0005","7.6348","0.0006","8.4677","0.0007","91.837","0.005","92.584","0.005","111.907","0.004","349.93","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒trans,trans-hexa-2,4-dienedioic acid (1/1)","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","1","0.5","SJ5219","Moon, Suk-Hee; Park, Ki-Min","4,4'-Bipyridine‒trans,trans-hexa-2,4-dienedioic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1201","","10.1107/S1600536812012391","","","0.71073","MoKα","","0.0438","0.0398","","","0.1122","0.1164","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234404","5.3552","0.0002","7.6334","0.0002","13.9956","0.0005","105.757","0.003","100.585","0.003","90.086","0.002","540.45","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-Bromo-N-phenylbenzamide","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C26 H20 Br2 N2 O2 -","2","1","SJ5220","Fun, Hoong-Kun; Chantrapromma, Suchada; Sripet, Weerawat; Ruanwas, Pumsak; Boonnak, Nawong","4-Bromo-N-phenylbenzamide","Acta Crystallographica Section E","2012","68","4","o1269","o1270","10.1107/S1600536812013487","","","0.71073","MoKα","","0.0469","0.0323","","","0.0713","0.0759","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234405","7.026","0.0014","10.624","0.002","17.084","0.003","72.95","0.03","84.18","0.03","79.56","0.03","1197.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin- 2-yl]methyl}4,6-dimethoxypyrimidin-2-amine","","- C24 H30 N6 O5 -","- C24 H30 N6 O5 -","- C48 H60 N12 O10 -","2","1","SJ5221","Wang, De-Cai; Wang, Yu-Jing; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine","Acta Crystallographica Section E","2012","68","4","o1272","","10.1107/S1600536812013104","","","0.71073","MoKα","","0.1169","0.063","","","0.1543","0.1779","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234406","8.7124","0.0001","9.4857","0.0001","10.2898","0.0001","82.883","0.001","71.126","0.001","75.672","0.001","778.738","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-b]furan","","- C19 H13 Br O2 S -","- C19 H13 Br O2 S -","- C38 H26 Br2 O4 S2 -","2","1","SJ5222","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-b]furan","Acta Crystallographica Section E","2012","68","4","o1246","","10.1107/S1600536812012603","","","0.71073","MoKα","","0.0342","0.0299","","","0.0781","0.0801","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234407","8.81958","0.00009","16.842","0.0002","22.7304","0.0003","90","","90","","90","","3376.36","0.07","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sodium (1R)-D-glucit-1-ylsulfonate monohydrate","Sodium (1R,2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate monohydrate","","- C6 H15 Na O10 S -","- C6 H15 Na O10 S -","- C72 H180 Na12 O120 S12 -","12","3","SU2377","Haines, Alan H.; Hughes, David L.","Sodium (1R)-D-glucit-1-ylsulfonate monohydrate","Acta Crystallographica Section E","2012","68","4","m377","m378","10.1107/S1600536812007210","","","0.71073","Mo-Kα","","0.0373","0.0276","","","","0.0519","","","","","","0.929","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234408","7.7562","0.0003","8.7905","0.0003","17.1479","0.0005","87.554","0.001","86.151","0.001","70.895","0.001","1102","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N,N'-[1,3-Phenylenebis(methylene)]di-p-toluenesulfonamide","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C44 H48 N4 O8 S4 -","2","1","SU2379","Ejaz; Khan, Islam Ullah; Harrison, William T. A.; Anjum, Rukhsana","N,N'-[1,3-Phenylenebis(methylene)]di-p-toluenesulfonamide","Acta Crystallographica Section E","2012","68","4","o950","","10.1107/S1600536812007222","","","0.71073","MoKα","","0.0877","0.0618","","","0.1745","0.1873","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234409","12.261","0.003","4.52","0.0009","15.656","0.003","90","","112.27","0.03","90","","802.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R*,5R*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C30 H34 N2 O16 -","2","1","SU2384","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4R*,5R*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section E","2012","68","4","o1128","","10.1107/S160053681201118X","","","0.71073","MoKα","","0.058","0.0459","","","0.13","0.1421","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234410","7.5795","0.0009","7.6839","0.0009","11.261","0.0014","93.628","0.002","98.288","0.003","102.626","0.003","630.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,6-Dibromo-7-ethylamino-4-methyl-2H-chromen-2-one","","- C12 H11 Br2 N O2 -","- C12 H11 Br2 N O2 -","- C24 H22 Br4 N2 O4 -","2","1","SU2385","Zhang, Ting; Xing, Huai-jie; Miao, Chun-bao; Sun, Xiao-qiang; Xi, Hai-tao","3,6-Dibromo-7-ethylamino-4-methyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","4","o1108","","10.1107/S160053681201077X","","","0.71073","MoKα","","0.0395","0.031","","","0.0927","0.0974","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234411","13.1384","0.0013","13.3144","0.0019","14.012","0.0009","90","","110.198","0.006","90","","2300.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^O^1^,N,N',O^1'^}cobalt(III) dimethylformamide monosolvate","","- C21 H27 Cl Co N3 O6 -","- C21 H27 Cl Co N3 O6 -","- C84 H108 Cl4 Co4 N12 O24 -","4","1","SU2386","Wei, Yun; Pang, Ting; Liu, Jiacheng; Li, Meng; Liang, Lili","Aquachlorido{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ^2^O^1^,N,N',O^1'^}cobalt(III) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","4","m455","m456","10.1107/S1600536812011324","","","0.71073","MoKα","","0.082","0.0581","","","0.131","0.1402","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234412","5.0306","0.0003","7.1847","0.0004","19.6856","0.0013","94.956","0.004","93.31","0.004","102.299","0.004","690.45","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-[(3-Ethoxy-2-hydroxybenzylidene)amino]benzoic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C32 H30 N2 O8 -","2","1","SU2387","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Tahir, Muhammad Nawaz","(E)-3-[(3-Ethoxy-2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1035","","10.1107/S1600536812009968","","","0.71073","MoKα","","0.1685","0.0611","","","0.1158","0.1497","","","","","","0.952","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234413","12.4216","0.0008","8.1511","0.0006","16.082","0.0011","90","","93.001","0.003","90","","1626.06","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzoic acid","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","SU2388","Kargar, Hadi; Sharafi, Zahra; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-[(4-Diethylamino-2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section E","2012","68","4","o1036","","10.1107/S160053681200997X","","","0.71073","MoKα","","0.2308","0.0575","","","0.0867","0.1327","","","","","","0.94","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234414","10.876","0.002","12.403","0.003","19.911","0.004","76.13","0.03","77.01","0.03","64.72","0.03","2334.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine- κ^3^N,N',N'']bis(thiocyanato-κS)copper(II) dichloromethane hemisolvate","","- C22.5 H22 Cl Cu N5 S2 -","- C22.5 H22 Cl Cu N5 S2 -","- C90 H88 Cl4 Cu4 N20 S8 -","4","2","SU2389","Qi, Yan; Li, Yang; Ma, Zheng-Ping; Chen, Qiu-Yun","[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine-κ^3^N,N',N'']bis(thiocyanato-κS)copper(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","4","m468","","10.1107/S1600536812011476","","","0.71073","MoKα","","0.065","0.0547","","","0.1293","0.1388","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234415","8.2983","0.0017","15.069","0.003","14.266","0.003","90","","104.76","0.03","90","","1725.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloridotris(2-methyl-1H-imidazole-κN^3^)cadmium","","- C12 H18 Cd Cl2 N6 -","- C12 H18 Cd Cl2 N6 -","- C48 H72 Cd4 Cl8 N24 -","4","1","SU2390","Zhu, Run-Qiang","Dichloridotris(2-methyl-1H-imidazole-κN^3^)cadmium","Acta Crystallographica Section E","2012","68","4","m439","","10.1107/S160053681201104X","","","0.71073","MoKα","","0.0297","0.0266","","","0.0613","0.0628","","","","","","1.118","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234416","6.72","0.0006","8.2201","0.0008","11.2616","0.0007","93.914","0.006","95.162","0.006","108.721","0.008","583.66","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","SU2391","Asiri, Abdullah M.; Faidallah, Hassan M.; Hameed, Salem A.; Ng, Seik Weng; Tiekink, Edward R. T.","3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one","Acta Crystallographica Section E","2012","68","4","o1120","","10.1107/S1600536812011348","","","0.71073","MoKα","","0.0812","0.0563","","","0.1344","0.1578","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234417","25.299","0.006","9.193","0.002","13.917","0.003","90","","94.289","0.005","90","","3227.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Acridine-κN)(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)palladium(II)","","- C20 H12 N2 O4 Pd -","- C20 H12 N2 O4 Pd -","- C160 H96 N16 O32 Pd8 -","8","1","SU2392","Ha, Kwang","(Acridine-κN)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m454","","10.1107/S1600536812011385","","","0.71073","MoKα","","0.0679","0.0405","","","0.0864","0.1003","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234418","18.1099","0.0013","10.1856","0.0006","19.8438","0.0013","90","","115.965","0.002","90","","3290.9","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-(diphenylphosphanyl-κP)benzaldehyde]iodidogold(I)","","- C38 H30 Au I O2 P2 -","- C38 H30 Au I O2 P2 -","- C152 H120 Au4 I4 O8 P8 -","4","0.5","SU2394","Williams, Michael L.; Dunstan, Samuel P. C.; Healy, Peter C.; Tiekink, Edward R. T.","Bis[2-(diphenylphosphanyl-κP)benzaldehyde]iodidogold(I)","Acta Crystallographica Section E","2012","68","4","m473","","10.1107/S1600536812011609","","","0.71069","MoKα","","0.0306","0.0261","","","0.0575","0.0587","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234419","5.8916","0.0012","6.4349","0.0014","9.1263","0.0019","95.659","0.004","102.379","0.004","109.859","0.004","312.27","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-2-methylpropanamide","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C10 H16 N4 O2 -","2","1","SU2395","Xu, Jia-Ying; Cheng, Wei-Hua","2-Cyano-2-methylpropanamide","Acta Crystallographica Section E","2012","68","4","o1250","","10.1107/S1600536812013360","","","0.71073","MoKα","","0.0519","0.0497","","","0.1396","0.143","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234420","9.6055","0.0011","9.9889","0.0011","24.258","0.003","90","","90.284","0.002","90","","2327.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κO)(aqua-κO)(2-{bis[(3,5-dimethyl-1H- pyrazol-1-yl-κN^2^)methyl]amino-κN}ethanol-κO)nickel(II) perchlorate monohydrate","","- C16 H30 Cl N5 Ni O9 -","- C16 H30 Cl N5 Ni O9 -","- C64 H120 Cl4 N20 Ni4 O36 -","4","1","TK5060","Zhou, Jia; Shu, Mouhai","(Acetato-κO)(aqua-κO)(2-{bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]amino-κN}ethanol-κO)nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","4","m399","","10.1107/S1600536812007970","","","0.71073","MoKα","","0.1206","0.0586","","","0.1267","0.1415","","","","","","0.817","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234421","8.1468","0.0014","9.3305","0.0016","11.663","0.003","108.243","0.003","100.034","0.003","107.83","0.002","764.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","","- C26 H30 N8 Ni S4 -","- C26 H30 N8 Ni S4 -","- C26 H30 N8 Ni S4 -","1","0.5","TK5062","Yu, Shan-Shan; Zhou, Hong; Ren, Xiao-Ming","Bis(4-dimethylamino-1-ethylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","Acta Crystallographica Section E","2012","68","4","m395","","10.1107/S1600536812008161","","","0.71073","MoKα","","0.0455","0.037","","","0.115","0.1283","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234422","8.1628","0.0008","12.0701","0.0011","17.0176","0.0016","90","","90","","90","","1676.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,5-Dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","TK5063","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","2-(2,5-Dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide","Acta Crystallographica Section E","2012","68","4","o966","","10.1107/S1600536812008975","","","0.71073","MoKα","","0.0686","0.0399","","","","0.0879","","","","","","0.872","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234423","8.6343","0.0015","9.6486","0.0017","12.701","0.002","111.324","0.002","90.109","0.002","98.097","0.002","974.2","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","N-(2-Aminopyridin-3-yl)-4-methyl-N-(4- methylphenylsulfonyl)benzenesulfonamide","","- C19 H19 N3 O4 S2 -","- C19 H19 N3 O4 S2 -","- C38 H38 N6 O8 S4 -","2","1","TK5064","Taher, Abu; Smith, Vincent J.","N-(2-Aminopyridin-3-yl)-4-methyl-N-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","4","o1136","","10.1107/S1600536812010872","","","0.71073","MoKα","","0.0322","0.0305","","","0.0844","0.0857","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234424","10.0459","0.0008","15.3072","0.0013","8.1517","0.0007","90","","126.912","0.005","90","","1002.27","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bromido(2,4,6-trimethylphenyl)mercury(II)","","- C9 H11 Br Hg -","- C9 H11 Br Hg -","- C36 H44 Br4 Hg4 -","4","0.5","TK5065","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Bromido(2,4,6-trimethylphenyl)mercury(II)","Acta Crystallographica Section E","2012","68","4","m424","","10.1107/S1600536812010392","","","0.71073","MoKα","","0.0271","0.0251","","","0.0561","0.0568","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234425","8.9432","0.0005","10.3004","0.0006","24.924","0.0015","90","","90","","90","","2296","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}- 3-(4-methylphenyl)prop-2-enenitrile","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","TK5066","Kannan, D.; Bakthadoss, M.; Madhanraj, R.; Murugavel, S.","(2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile","Acta Crystallographica Section E","2012","68","4","o1084","","10.1107/S1600536812010628","","","0.71073","MoKα","","0.0669","0.0431","","","0.1043","0.1174","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234426","7.2282","0.0006","9.8308","0.0008","10.2501","0.0008","94.292","0.002","93.081","0.002","106.123","0.002","695.64","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","cis-(Di-2-pyridylamine-κ^2^N^2^,N^2'^)bis(thiocyanato- κS)platinum(II)","","- C12 H9 N5 Pt S2 -","- C12 H9 N5 Pt S2 -","- C24 H18 N10 Pt2 S4 -","2","1","TK5067","Ha, Kwang","cis-(Di-2-pyridylamine-κ^2^N^2^,N^2'^)bis(thiocyanato-κS)platinum(II)","Acta Crystallographica Section E","2012","68","4","m440","","10.1107/S1600536812010926","","","0.71073","MoKα","","0.0392","0.0313","","","0.0706","0.088","","","","","","1.218","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234427","9.8084","0.0004","15.9553","0.0007","13.8782","0.0007","90","","107.185","0.002","90","","2074.92","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4,5-dihydrofuran- 3-carbonitrile","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","TK5068","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","5-Benzoyl-2-(1H-indol-3-yl)-4-(4-methylphenyl)-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1124","","10.1107/S1600536812011105","","","0.71073","MoKα","","0.0814","0.0448","","","0.1106","0.1326","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234428","9.9341","0.0002","19.1498","0.0004","12.8279","0.0002","90","","95.078","0.001","90","","2430.75","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methylspiro[indoline-3,7'-[6H,7H,8H]pyrano[3,2- c:5,6-c']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate","","- C27.5 H15.5 N O6 cl1.5 -","- C27 H15 N O6 -","- C108 H60 N4 O24 -","4","1","TK5070","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J.","5-Methylspiro[indoline-3,7'-[6H,7H,8H]pyrano[3,2-c:5,6-c']di[1]benzopyran]-2,6',8'-trione chloroform hemisolvate","Acta Crystallographica Section E","2012","68","4","o1194","","10.1107/S1600536812012020","","","0.71073","MoKα","","0.0873","0.0674","","","0.1645","0.1737","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234429","4.851","0.006","10.407","0.012","36.65","0.04","90","","90","","90","","1850","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-N'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","TK5071","Mohamed, Shaaban Kamel; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Potgeiter, Herman","2-Hydroxy-N'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1251","o1252","10.1107/S1600536812012731","","","0.71073","MoKα","","0.1608","0.0839","","","0.1503","0.1892","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234430","14.263","0.004","5.1412","0.0015","12.276","0.004","90","","99.393","0.005","90","","888.1","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Oxapentane-1,5-diyl dicarbamate","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","TK5072","Li, Zhi","3-Oxapentane-1,5-diyl dicarbamate","Acta Crystallographica Section E","2012","68","4","o1171","","10.1107/S1600536812011981","","","0.71073","MoKα","","0.0391","0.0305","","","0.0777","0.0835","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234431","13.7294","0.0003","13.9123","0.0002","18.8383","0.0003","90","","110.652","0.001","90","","3367.03","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-{[(9H-fluoren-2-yl)methylidene]amino}phenolato- κ^2^N,O)zinc methanol disolvate","","- C42 H36 N2 O4 Zn -","- C42 H36 N2 O4 Zn -","- C168 H144 N8 O16 Zn4 -","4","0.5","TK5073","Kim, Young-Inn; Yun, Sung-Jae; Hwang, Inn-Hye; Kim, Dae-Young; Kang, Sung Kwon","Bis(2-{[(9H-fluoren-2-yl)methylidene]amino}phenolato-κ^2^N,O)zinc methanol disolvate","Acta Crystallographica Section E","2012","68","4","m504","m505","10.1107/S160053681201272X","","","0.71073","MoKα","","0.0753","0.0434","","","","0.0956","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234432","11.453","0.0007","18.4493","0.0008","16.4696","0.001","90","","104.979","0.005","90","","3361.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Dichloridobis(triphenylphosphane-κP)palladium(II) benzene hemisolvate","","- C39 H33 Cl2 P2 Pd -","- C39 H33 Cl2 P2 Pd -","- C156 H132 Cl8 P8 Pd4 -","4","1","TK5074","Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","trans-Dichloridobis(triphenylphosphane-κP)palladium(II) benzene hemisolvate","Acta Crystallographica Section E","2012","68","4","m507","","10.1107/S1600536812012494","","","0.71073","MoKα","","0.0574","0.0406","","","0.0898","0.0952","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234433","9.1066","0.0018","7.6277","0.0015","14.375","0.003","90","","95.31","0.03","90","","994.2","0.3","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(E)-2-(2-Hydroxy-5-iodobenzylidene)hydrazinecarboxamide","","- C8 H8 I N3 O2 -","- C8 H8 I N3 O2 -","- C32 H32 I4 N12 O8 -","4","1","VM2154","Bikas, Rahman; Nikbakht Sardari, Samra; Hosseini, Seyed Sajjad; Shahverdizadeh, Gholam Hossein; Notash, Behrouz","(E)-2-(2-Hydroxy-5-iodobenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","4","o1090","","10.1107/S1600536812010197","","","0.71073","MoKα","","0.0367","0.0285","","","0.0543","0.0563","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234434","9.71","0.005","10.47","0.005","12.156","0.006","80.785","0.006","87.639","0.006","72.217","0.006","1161.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Triethylammonium (indane-1,2,3-trione 1,2-dioximato-κ^2^N^1^,O^2^)(indane-1,2,3-trione 2-oximato 1-oxime-κ^2^N^1^,O^2^)nickel(II)","","- C24 H25 N5 Ni O6 -","- C24 H25 N5 Ni O6 -","- C48 H50 N10 Ni2 O12 -","2","1","VM2155","Zhong, Baoyun; Li, Shengli; Chen, Guifang","Triethylammonium (indane-1,2,3-trione 1,2-dioximato-κ^2^N^1^,O^2^)(indane-1,2,3-trione 2-oximato 1-oxime-κ^2^N^1^,O^2^)nickel(II)","Acta Crystallographica Section E","2012","68","4","m421","","10.1107/S1600536812010458","","","0.71073","MoKα","","0.0748","0.0441","","","0.0684","0.075","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234435","19.364","0.012","4.459","0.003","31.775","0.019","90","","90","","90","","2744","3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","2","VM2159","Moreno-Fuquen, Rodolfo; Loaiza, Alix Elena; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.","(E)-Benzaldehyde O-{[3-(pyridin-3-yl)isoxazol-5-yl]methyl}oxime","Acta Crystallographica Section E","2012","68","4","o1080","","10.1107/S1600536812010732","","","0.71075","MoKα","","0.0785","0.0591","","","0.1246","0.1357","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234436","20.62","0.02","7.464","0.008","9.485","0.011","90","","110.362","0.011","90","","1369","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,2'-Dichloro-N,N'-[1,3-phenylenebis(methylene)]diacetamide","","- C12 H14 Cl2 N2 O2 -","- C12 H14 Cl2 N2 O2 -","- C48 H56 Cl8 N8 O8 -","4","0.5","VM2160","Cai, Hong-Xin; Wu, Wei-Na","2,2'-Dichloro-N,N'-[1,3-phenylenebis(methylene)]diacetamide","Acta Crystallographica Section E","2012","68","4","o933","","10.1107/S1600536812008653","","","0.71073","MoKα","","0.0675","0.0552","","","0.1472","0.1568","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234437","4.021","0.0008","21.506","0.004","12.333","0.003","90","","96.41","0.03","90","","1059.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,3-Dichloroallyloxy)-2-nitrobenzene","","- C9 H7 Cl2 N O3 -","- C9 H7 Cl2 N O3 -","- C36 H28 Cl8 N4 O12 -","4","1","VM2161","Ren, Dong-mei; Wang, Yong-yi","1-(3,3-Dichloroallyloxy)-2-nitrobenzene","Acta Crystallographica Section E","2012","68","4","o1049","","10.1107/S1600536812010070","","","0.71073","MoKα","","0.0719","0.0502","","","0.1467","0.1641","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234438","7.654","0.003","6.967","0.003","20.629","0.008","90","","97.183","0.004","90","","1091.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-4-phenyl-2H-pyran-2-one","","- C13 H12 O2 -","- C13 H12 O2 -","- C52 H48 O8 -","4","1","VM2163","Xu, Hai-Yun; Guo, Sheng-Hai; Li, Kun; Fan, Xue-Sen","5,6-Dimethyl-4-phenyl-2H-pyran-2-one","Acta Crystallographica Section E","2012","68","4","o1131","","10.1107/S1600536812011233","","","0.71073","MoKα","","0.0594","0.0448","","","0.1252","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234439","12.4173","0.0002","17.1269","0.0003","13.9211","0.0002","90","","100.889","0.001","90","","2907.29","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate","","- C31 H21 B F15 N -","- C25 H7 B F15 N -","- C100 H28 B4 F60 N4 -","4","1","VM2164","Klahn, Marcus; Spannenberg, Anke; Rosenthal, Uwe","2-Vinylpyridine‒tris(pentafluorophenyl)borane hexane monosolvate","Acta Crystallographica Section E","2012","68","4","o1261","","10.1107/S1600536812013153","","","0.71073","MoKα","","0.0627","0.0474","","","0.1079","0.1126","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234440","6.023","0.0013","8.3306","0.0018","21.314","0.005","90","","90","","90","","1069.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3,5-Tri(chloroformyl)benzene","Benzene-1,3,5-tricarbonyl trichloride","","- C9 H3 Cl3 O3 -","- C9 H3 Cl3 O3 -","- C36 H12 Cl12 O12 -","4","1","VM2166","Fan, Xin; Wang, Yanrong; Jin, Chengzhi; Jin, Longfei","Benzene-1,3,5-tricarbonyl trichloride","Acta Crystallographica Section E","2012","68","4","o1260","","10.1107/S1600536812012895","","","0.71073","MoKα","","0.0664","0.0649","","","0.1684","0.1695","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234441","9.8815","0.0005","10.6695","0.0005","15.0158","0.0007","70.405","0.002","73.323","0.002","74.974","0.002","1405.21","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(benzoyloxy)methyl]-1H-1,2,3-triazole- κN^3^}(nitrato-κ^2^O,O')silver(I)","","- C28 H22 Ag N7 O7 -","- C28 H22 Ag N7 O7 -","- C56 H44 Ag2 N14 O14 -","2","1","VN2026","Xu, Sen; Shen, Yingzhong","Bis{1-[(benzoyloxy)methyl]-1H-1,2,3-benzotriazole-κN^3^}(nitrato-κ^2^O,O')silver(I)","Acta Crystallographica Section E","2012","68","4","m369","","10.1107/S1600536812006368","","","0.71073","MoKα","","0.0356","0.0318","","","0.0651","0.0667","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234442","9.2332","0.0005","10.1337","0.0006","12.4186","0.0006","90","","90","","90","","1161.96","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ-purin-9-ido-κ^2^N^7^:N^9^)zinc]","","- C10 H6 N8 Zn -","- C10 H6 N8 Zn -","- C40 H24 N32 Zn4 -","4","1","VN2034","Cadiau, A.; Adil, K.","Poly[bis(μ-purin-9-ido-κ^2^N^7^:N^9^)zinc]","Acta Crystallographica Section E","2012","68","4","m449","","10.1107/S1600536812011245","","","0.71073","MoKα","","0.0284","0.0242","","","0.0518","0.0528","","","","","","1.012","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234443","11.5802","0.0015","15.958","0.002","14.3921","0.0017","90","","100.143","0.003","90","","2618","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Carbonato-κ^2^O,O')bis(5,5'-dimethyl-2,2'-bipyridyl- κ^2^N,N')cobalt(III) bromide trihydrate","","- C25 H30 Br Co N4 O6 -","- C25 H30 Br Co N4 O6 -","- C100 H120 Br4 Co4 N16 O24 -","4","1","WM2590","Arun Kumar, Kannan; Meera, Parthsarathi; Amutha Selvi, Madhavan; Dayalan, Arunachalam","(Carbonato-κ^2^O,O')bis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^N,N')cobalt(III) bromide trihydrate","Acta Crystallographica Section E","2012","68","4","m383","m384","10.1107/S160053681200894X","","","0.71073","MoKα","","0.0874","0.0463","","","0.118","0.1448","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","189076","2020-10-21","18:00:00",""
"2234444","18.0696","0.0007","3.9866","0.0001","11.3189","0.0005","90","","107.188","0.002","90","","778.96","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]","","- C16 H12 K2 O6 -","- C16 H12 K2 O6 -","- C32 H24 K4 O12 -","2","0.5","WM2592","Ma, Zhen; Liang, Baohuan; Lu, Wanbing","Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]","Acta Crystallographica Section E","2012","68","4","m370","","10.1107/S1600536812008513","","","0.71073","MoKα","","0.0248","0.0226","","","0.0653","0.0667","","","","","","1.011","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2234445","9.9844","0.0003","7.4059","0.0002","9.9046","0.0003","90","","90","","90","","732.38","0.04","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","pentacalcium trizirconium docosafluoride","","- Ca5 F22 Zr3 -","- Ca5 F22 Zr3 -","- Ca10 F44 Zr6 -","2","0.5","WM2595","Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","Ca~5~Zr~3~F~22~","Acta Crystallographica Section E","2012","68","4","i23","","10.1107/S1600536812008495","","","0.71073","MoKα","","0.0481","0.0356","","","0.0534","0.0575","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234446","15.3105","0.0008","7.2983","0.0004","29.5679","0.0015","90","","90","","90","","3303.9","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine- 3,7-dicarboxylato] monohydrate]","","- C15 H17 Co N O8 S -","- C15 H17 Co N O8 S -","- C120 H136 Co8 N8 O64 S8 -","8","1","WM2597","Hu, Yun-Xia; Zhou, Yan; Wang, Fang-Ming; Zhang, Wen-Wei","catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2012","68","4","m402","m403","10.1107/S1600536812009580","","","0.71073","MoKα","","0.0531","0.0428","","","0.1009","0.1035","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234447","12.5918","0.0003","14.0025","0.0003","22.2129","0.0005","90","","100.429","0.002","90","","3851.8","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{S-benzyl 3-[(phenyl)(pyridin-2-yl)methylidene]dithiocarbazato}zinc acetonitrile monosolvate","","- C42 H35 N7 S4 Zn -","- C42 H35 N7 S4 Zn -","- C168 H140 N28 S16 Zn4 -","4","1","WM2598","Ravoof, Thahira B. S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","Bis{S-benzyl 3-[(phenyl)(pyridin-2-yl)methylidene]dithiocarbazato}zinc acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","4","m390","m391","10.1107/S1600536812009592","","","0.71073","MoKα","","0.0533","0.0384","","0.0813","0.074","0.0813","","","","","","0.9908","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234448","6.778","0.001","11.3381","0.0013","12.9109","0.0015","87.903","0.002","88.622","0.002","79.088","0.001","973.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(benzoato-κO)bis[4,4,5,5-tetramethyl-2-(pyridin-4-yl- κN)imidazoline-1-oxyl 3-oxide]cobalt(II)","","- C38 H46 Co N6 O10 -","- C38 H46 Co N6 O10 -","- C38 H46 Co N6 O10 -","1","0.5","WM2601","Wang, Kun-Miao; Zhou, Jie; Qian, Fen-Hua; Liu, Jing","Diaquabis(benzoato-κO)bis[4,4,5,5-tetramethyl-2-(pyridin-4-yl-κN)imidazoline-1-oxyl 3-oxide]cobalt(II)","Acta Crystallographica Section E","2012","68","4","m506","","10.1107/S1600536812012251","","","0.71073","MoKα","","0.0638","0.0412","","","0.1009","0.1151","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234449","8.2354","0.0006","9.794","0.0007","16.4702","0.0012","90","","102.148","0.001","90","","1298.7","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Di-2-pyridylamine-κ^2^N^2^,N^2'^)diiodidoplatinum(II)","","- C10 H9 I2 N3 Pt -","- C10 H9 I2 N3 Pt -","- C40 H36 I8 N12 Pt4 -","4","1","WM2603","Ha, Kwang","(Di-2-pyridylamine-κ^2^N^2^,N^2'^)diiodidoplatinum(II)","Acta Crystallographica Section E","2012","68","4","m479","","10.1107/S1600536812011907","","","0.71073","MoKα","","0.0376","0.0305","","","0.0726","0.0768","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234450","6.3674","0.0001","15.4594","0.0003","14.2199","0.0003","90","","93.383","0.001","90","","1397.31","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(2-Oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamide","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C60 H48 N16 O4 S4 -","4","1","WN2464","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-2-(2-Oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o962","o963","10.1107/S160053681200400X","","","0.71073","MoKα","","0.0809","0.0529","","","0.1017","0.1126","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234451","9.4696","0.0012","19.359","0.002","14.3888","0.0014","90","","115.975","0.006","90","","2371.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyrrolidin-1-ium 2-(naphthalen-1-yl)acetate‒2-(naphthalen-1-yl)acetic acid (1/1)","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C112 H116 N4 O16 -","4","1","WN2468","Hong, Zhao; Yin, Fu-Jun; Xu, Xing-You; Han, Li-Jun; Ren, Li","Pyrrolidin-1-ium 2-(naphthalen-1-yl)acetate‒2-(naphthalen-1-yl)acetic acid (1/1)","Acta Crystallographica Section E","2012","68","4","o1113","","10.1107/S160053681201001X","","","0.71073","MoKα","","0.1007","0.0621","","","0.181","0.2112","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234452","4.4534","0.0017","11.523","0.004","18.212","0.007","90","","95.703","0.007","90","","930","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6Z)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa- 2,4-dien-1-one","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","WN2469","Mohamed, Shaaban K.; Akkurt, Mehmet; Elhamid, Antar A. Abd; Singh, Kuldip; Potgieter, Herman","(6Z)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2012","68","4","o1020","","10.1107/S1600536812009749","","","0.71073","MoKα","","0.0582","0.0405","","","0.0854","0.0916","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234453","14.2351","0.0013","11.4115","0.0005","9.81","0.0009","90","","127.183","0.014","90","","1269.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Di-μ-chlorido-bis[aquachloridodimethyltin(IV)]‒1,4,7,10,13- pentaoxacyclopentadecane (1/1)","","- C14 H36 Cl4 O7 Sn2 -","- C14 H36 Cl4 O7 Sn2 -","- C28 H72 Cl8 O14 Sn4 -","2","0.25","XU5444","Amini, Mostafa M.; Ng, Seik Weng","Di-μ-chlorido-bis[aquachloridodimethyltin(IV)]‒1,4,7,10,13-pentaoxacyclopentadecane (1/1)","Acta Crystallographica Section E","2012","68","4","m354","","10.1107/S1600536812008781","","","0.71073","MoKα","","0.0175","0.0166","","","0.0414","0.0418","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234454","19.5557","0.0009","3.8732","0.0002","11.9823","0.0005","90","","90","","90","","907.58","0.07","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-(4-Nitrobenzylidene)malononitrile","2-(4-Nitrobenzylidene)propanedinitrile","","- C10 H5 N3 O2 -","- C10 H5 N3 O2 -","- C40 H20 N12 O8 -","4","1","XU5449","Chang, Ming-Jen; Fang, Tzu-Chien; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","2-(4-Nitrobenzylidene)malononitrile","Acta Crystallographica Section E","2012","68","4","o957","","10.1107/S1600536812008896","","","1.54178","CuKα","","0.0363","0.0342","","","0.0895","0.0909","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234455","6.6085","0.0005","7.1887","0.0005","15.3659","0.001","98.629","0.005","94.096","0.005","108.715","0.006","677.96","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4H)-one","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C34 H28 N4 O6 -","2","1","XU5464","Huang, Wan-Yun; Zhang, Ye; Hu, Kun; Lin, Qing-Mei; Liu, Xian-Xian","4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4H)-one","Acta Crystallographica Section E","2012","68","4","o1008","","10.1107/S1600536812008276","","","0.71073","MoKα","","0.0526","0.0428","","","0.1079","0.1178","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234456","7.1615","0.0014","8.8729","0.0018","9.3815","0.0019","66.06","0.03","88.66","0.03","70.97","0.03","511","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-2-ethyl-1H-imidazole-4-carboxylato- κ^2^N^3^,O^4^)cobalt(II) trihydrate","","- C14 H24 Co N4 O13 -","- C14 H24 Co N4 O13 -","- C14 H24 Co N4 O13 -","1","0.5","XU5468","Miao, Dong-Liang; Li, Shi-Jie; Song, Wen-Dong; Tong, Shao-Wei; Ng, Seik Weng","Diaquabis(5-carboxy-2-ethyl-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)cobalt(II) trihydrate","Acta Crystallographica Section E","2012","68","4","m373","m374","10.1107/S1600536812008902","","","0.71073","MoKα","","0.0758","0.0352","","","0.0754","0.1019","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234457","11.9372","0.0016","6.6919","0.0008","17.158","0.002","90","","92.28","0.007","90","","1369.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Piperidin-1-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","1","XU5473","Horton, Peter N.; Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Akkurt, Mehmet","2-(Piperidin-1-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","4","o938","","10.1107/S1600536812008586","","","0.71073","MoKα","","0.1665","0.0725","","","0.1149","0.1404","","","","","","0.956","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234458","7.5438","0.0011","13.1623","0.0019","15.903","0.002","90","","103.251","0.003","90","","1537","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(5-Chloro-2-hydroxybenzylidene)-2,4- dihydroxybenzohydrazide methanol monosolvate","","- C15 H15 Cl N2 O5 -","- C15 H15 Cl N2 O5 -","- C60 H60 Cl4 N8 O20 -","4","1","XU5474","Li, Kun","(E)-N'-(5-Chloro-2-hydroxybenzylidene)-2,4-dihydroxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o967","","10.1107/S1600536812009178","","","0.71073","MoKα","","0.0822","0.0444","","","0.1009","0.1186","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234459","8.5275","0.0017","9.1291","0.0018","11.47","0.002","111.97","0.03","96.1","0.03","99.38","0.03","803.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) naphthalene-1,5-disulfonate‒18-crown-6 (1/1)","Bis(guanidinium) naphthalene-1,5-disulfonate 1,4,7,10,13,16-hexaoxacyclooctadecane","","- C24 H42 N6 O12 S2 -","- C24 H42 N6 O12 S2 -","- C24 H42 N6 O12 S2 -","1","0.5","XU5475","Wei, Bin","Bis(guanidinium) naphthalene-1,5-disulfonate‒18-crown-6 (1/1)","Acta Crystallographica Section E","2012","68","4","o990","","10.1107/S1600536812009154","","","0.71073","MoKα","","0.0535","0.0425","","","0.0982","0.1036","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234460","12.642","0.0003","14.8499","0.0004","11.8707","0.0003","90","","104.006","0.002","90","","2162.26","0.1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","XU5476","Wang, Hao-Wei; Ren, Jun; Ye, Wen-Bo; Yang, Jia-Xiang","4-(Anthracen-9-yl)-2-phenyl-6-(pyridin-2-yl)pyridine","Acta Crystallographica Section E","2012","68","4","o1210","","10.1107/S1600536812012299","","","0.71073","MoKα","","0.1053","0.0627","","","0.1795","0.2154","","","","","","1.325","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234461","15.578","0.0017","8.054","0.003","23.078","0.005","90","0.003","93.088","0.003","90","0.004","2891.3","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","2","XU5478","Xie, Yu-Zhong; Jin, Jing-Yi; Qu, Xiao-Chun","Polymorph of 4-(carbazol-9-yl)benzonitrile","Acta Crystallographica Section E","2012","68","4","o1199","","10.1107/S1600536812012457","","","0.71069","MoKα","","0.1476","0.0567","","","0.1438","0.1918","","","","","","0.971","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234462","9.3694","0.0005","10.4051","0.0005","13.5937","0.0008","90","","103.516","0.006","90","","1288.54","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4a-Methyl-2,3,4,4a-tetrahydro-1H-carbazole-6-sulfonamide","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","1","XU5479","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4a-Methyl-2,3,4,4a-tetrahydro-1H-carbazole-6-sulfonamide","Acta Crystallographica Section E","2012","68","4","o1050","","10.1107/S1600536812010239","","","0.71073","MoKα","","0.0613","0.0454","","","0.1093","0.1208","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234463","6.6264","0.0004","6.7497","0.0004","22.6203","0.0012","90","","94.785","0.005","90","","1008.19","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5480","Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","4","o1051","","10.1107/S1600536812010240","","","0.71073","MoKα","","0.0925","0.08","","","0.1886","0.1942","","","","","","1.226","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234464","7.1479","0.0003","11.8929","0.0005","12.2044","0.0006","109.368","0.001","104.69","0.001","92.953","0.001","936.27","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κO^1^)zinc pentahydrate","","- C6 H24 O18 S2 Zn -","- C6 H24 O18 S2 Zn -","- C12 H48 O36 S4 Zn2 -","2","1","XU5482","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κO^1^)zinc pentahydrate","Acta Crystallographica Section E","2012","68","4","m492","m493","10.1107/S1600536812012317","","","0.71073","MoKα","","0.0357","0.0323","","","0.0863","0.0906","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234465","18.4312","0.0004","11.3595","0.0002","25.1662","0.0006","90","","111.782","0.003","90","","4892.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-(Nitrato-κ^2^O,O')(2,5,5,7,9,12,12,14-octamethyl- 1,4,8,11-tetraazacyclotetradecane- κ^4^N,N',N'',N''')cadmium nitrate hemihydrate","","- C18 H41 Cd N6 O6.5 -","- C18 H41 Cd N6 O6.5 -","- C144 H328 Cd8 N48 O52 -","8","1","XU5483","Roy, Tapashi G.; Hazari, Saroj K. S.; Nath, Babul Chandra; Ng, Seik Weng; Tiekink, Edward R. T.","cis-(Nitrato-κ^2^O,O')(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N,N',N'',N''')cadmium nitrate hemihydrate","Acta Crystallographica Section E","2012","68","4","m494","m495","10.1107/S160053681201238X","","","1.54184","CuKα","","0.031","0.0292","","","0.0767","0.0782","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234466","11.9983","0.0009","8.2981","0.0006","13.7634","0.0011","90","","105.994","0.007","90","","1317.28","0.18","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3',6,6'-tetrahydroxy-4,4'-dimethyl-1,1'-bi(cyclohexa-3,6-diene)-2,2',5,5'- tetraone","","- C14 H10 O8 -","- C14 H10 O8 -","- C56 H40 O32 -","4","0.5","XU5486","He, Gang; Yan, Jun; Wu, Xiao-Yong; Gou, Xiao-Jun; Li, Wan-Chen","Oosporein from Tremella fuciformis","Acta Crystallographica Section E","2012","68","4","o1231","","10.1107/S1600536812012950","","","0.71073","MoKα","","0.0736","0.0444","","","0.1019","0.118","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234467","22.997","0.005","10.679","0.002","14.899","0.003","90","","92.96","0.03","90","","3654.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium perchlorate","","- C18 H19 Cl N2 O5 -","- C18 H19 Cl N2 O5 -","- C144 H152 Cl8 N16 O40 -","8","1","XU5487","Ou-Yang, Hua-Yong","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium perchlorate","Acta Crystallographica Section E","2012","68","4","o1236","","10.1107/S1600536812012792","","","0.71073","MoKα","","0.1209","0.0702","","","0.1731","0.2017","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234468","8.3896","0.0008","11.2569","0.0011","12.72","0.0012","106.12","0.002","103.025","0.002","95.853","0.002","1106.85","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-methanolato-κ^4^O:O-bis[bis(3-methyl-5-phenyl-1H- pyrazole-κN^2^)(nitrato-κO)copper(II)]","","- C42 H46 Cu2 N10 O8 -","- C42 H46 Cu2 N10 O8 -","- C42 H46 Cu2 N10 O8 -","1","0.5","XU5488","Li, Xu-Guang; Gao, Meng-Meng; Ng, Seik Weng","Di-μ-methanolato-κ^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-κN^2^)(nitrato-κO)copper(II)]","Acta Crystallographica Section E","2012","68","4","m503","","10.1107/S160053681201241X","","","0.71073","MoKα","","0.0692","0.0416","","","0.1004","0.1162","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234469","9.6204","0.0005","10.3698","0.0005","11.6946","0.0006","104.244","0.001","101.913","0.001","113.834","0.001","970.87","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","cis-Dichloridobis(quinoline-κN)platinum(II) nitromethane monosolvate","","- C19 H17 Cl2 N3 O2 Pt -","- C19 H17 Cl2 N3 O2 Pt -","- C38 H34 Cl4 N6 O4 Pt2 -","2","1","XU5489","Ha, Kwang","cis-Dichloridobis(quinoline-κN)platinum(II) nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","m491","","10.1107/S1600536812012469","","","0.71073","MoKα","","0.0388","0.0299","","","0.0605","0.0842","","","","","","1.238","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234470","10.1598","0.0008","11.1275","0.0009","30.387","0.002","90","","90","","90","","3435.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29- carboxamide methanol monosolvate","","- C35 H56 N2 O8 -","- C35 H56 N2 O8 -","- C140 H224 N8 O32 -","4","1","XU5490","Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","(3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1229","o1230","10.1107/S1600536812012561","","","0.71073","MoKα","","0.0519","0.0444","","","0.1145","0.1218","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234471","3.8298","0.0005","6.5626","0.0009","14.5831","0.0018","98.001","0.01","95.315","0.011","92.963","0.011","360.62","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis(pyridine-3-carboxylic acid-κN)mercury(II)]-di-μ-chlorido]","","- C12 H10 Cl2 Hg N2 O4 -","- C12 H10 Cl2 Hg N2 O4 -","- C12 H10 Cl2 Hg N2 O4 -","1","0.5","XU5491","Shirvan, Sadif A.; Haydari Dezfuli, Sara","catena-Poly[[bis(pyridine-3-carboxylic acid-κN)mercury(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","4","m516","","10.1107/S1600536812012986","","","0.71073","MoKα","","0.0319","0.0318","","","0.0811","0.0816","","","","","","0.833","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234472","7.9475","0.0002","19.7551","0.0004","9.707","0.0003","90","","108.642","0.003","90","","1444.08","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN^1^)cobalt(II)","","- C26 H24 Co I2 N4 O8 -","- C26 H24 Co I2 N4 O8 -","- C52 H48 Co2 I4 N8 O16 -","2","0.5","XU5493","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","4","m521","m522","10.1107/S160053681201330X","","","0.71073","MoKα","","0.0499","0.0463","","","0.1088","0.1103","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234473","10.5183","0.0002","12.9132","0.0003","12.9861","0.0002","90","","112.723","0.002","90","","1626.93","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Chloro-4-[(E)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C72 H64 Cl4 N12 O8 -","4","1","XU5494","de Souza, Marcus V. N.; de Ferreira, Marcelle; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(E)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1244","o1245","10.1107/S1600536812012871","","","0.71073","MoKα","","0.0538","0.0408","","","0.0991","0.1073","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234474","7.6815","0.0002","9.7491","0.0003","10.8418","0.0003","87.831","0.002","87.171","0.002","87.146","0.002","809.41","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate","","- C16 H14 Cl3 N3 O -","- C16 H14 Cl3 N3 O -","- C32 H28 Cl6 N6 O2 -","2","1","XU5495","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.","4-[(E)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate","Acta Crystallographica Section E","2012","68","4","o1232","o1233","10.1107/S1600536812012962","","","0.71073","MoKα","","0.0552","0.0407","","","0.0945","0.1027","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234475","9.572","0.003","19.276","0.004","8.289","0.005","90","","106.48","0.003","90","","1466.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1H-imidazol-3-ium 3-carboxyprop-2-enoate‒fumaric acid (2/1)","","- C30 H28 N4 O12 -","- C30 H28 N4 O12 -","- C60 H56 N8 O24 -","2","0.5","YK2037","Guo, Hong; Zhang, Xin; Li, Jian-Xia","2-Phenyl-1H-imidazol-3-ium hydrogen fumarate‒fumaric acid (2/1)","Acta Crystallographica Section E","2012","68","4","o1021","","10.1107/S1600536812005557","","","0.71073","MoKα","","0.0445","0.0314","","","0.088","0.0909","","","","","","1.004","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234476","6.7713","0.0016","8.917","0.002","20.339","0.005","90","","92.489","0.004","90","","1226.9","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C54 H48 N8 O10 -","2","1","YK2041","Zhang, Xin; Sun, Chen; Li, Fei-ran; Zhang, Hua","Methyl 2-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)(4-nitrophenyl)methyl]amino}-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","4","o1062","","10.1107/S1600536812010343","","","0.71073","MoKα","","0.0551","0.0399","","","0.0967","0.1062","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234477","7.734","0.004","9.701","0.005","17.673","0.008","90","","96.66","0.007","90","","1317","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-2-hydroxyethylmaleimide","1-(2-Hydroxyethyl)pyrrole-2,5-dione","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C48 H56 N8 O24 -","8","2","YK2042","Tan, Xue-Jie; Du, Ting-Wen; Xing, Dian-Xiang; Liu, Yun","1-(2-Hydroxyethyl)pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","4","o970","","10.1107/S1600536812008938","","","0.71073","MoKα","","0.1186","0.0809","","","0.1985","0.2169","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234478","9.4109","0.0019","12.867","0.003","13.501","0.003","63.35","0.03","83.08","0.03","82.51","0.03","1445.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate","","- C21 H32 Cl6 N3 O Sb -","- C21 H32 Cl6 N3 O Sb -","- C42 H64 Cl12 N6 O2 Sb2 -","2","1","YK2046","Xu, Qian","Tris(4-methylanilinium) pentachloridoantimonate(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","4","m438","","10.1107/S1600536812009427","","","0.71073","MoKα","","0.0322","0.0275","","","0.068","0.0748","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234479","8.7782","0.0018","9.0316","0.0018","11.923","0.002","87.1","0.03","74.74","0.03","88.77","0.03","910.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethylammonium guanidinium naphthalene-1,5-disulfonate","","- C13 H20 N4 O6 S2 -","- C13 H20 N4 O6 S2 -","- C26 H40 N8 O12 S4 -","2","1","YK2047","Wei, Bin","Dimethylammonium guanidinium naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","4","o1123","","10.1107/S1600536812011099","","","0.71073","MoKα","","0.0677","0.046","","","0.1097","0.1211","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234480","19.2421","0.0004","11.6938","0.0002","24.9769","0.0005","90","","90","","90","","5620.13","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl- 1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","","- C66 H62 B2 O1.5 P4 -","- C66 H62 B2 O1.5 P4 -","- C264 H248 B8 O6 P16 -","4","0.5","YK2048","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl-1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2012","68","4","o1125","","10.1107/S1600536812011361","","","0.71073","MoKα","","0.0732","0.0412","","","0.0895","0.0958","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234481","9.3857","0.0017","11.2748","0.0017","12.615","0.002","105.715","0.014","97.969","0.014","103.167","0.014","1222.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,2,21,21-tetrakis(trifluoromethyl)-7,16,26,35- tetraoxaheptacyclo[34.2.2.2^3,6^.2^17,20^.2^22,25^.0^9,14^.0^28,33^] hexatetraconta-1(38),3,5,9,11,13,17,19,22,24,28(33),29,31,36,39,41,43,45- octadecaene-8,15,27,34-tetrone tetrahydrofuran monosolvate","5,7,13,15-Tetraoxo-2,2,10,10-tetrakis(trifluoromethyl)-4,8,12,16- tetraoxa1-(1,4),3(1,4),6(1,2),9(1,4),11(1,4),14(1,2)-hexabenzenahexadecaphane tetrahydrofuran monosolvate","","- C50 H32 F12 O9 -","- C50 H32 F12 O9 -","- C50 H32 F12 O9 -","1","0.5","ZJ2060","Guo, Qing-Zhong; Du, Yi","5,7,13,15-Tetraoxo-2,2,10,10-tetrakis(trifluoromethyl)-4,8,12,16-tetraoxa-1(1,4),3(1,4),6(1,2),9(1,4),11(1,4),14(1,2)-hexabenzenahexadecaphane tetrahydrofuran monosolvate","Acta Crystallographica Section E","2012","68","4","o1126","","10.1107/S1600536812011166","","","0.71073","MoKα","","0.1453","0.0652","","","0.14","0.1577","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234482","8.8101","0.0007","33.555","0.003","9.4453","0.0007","90","","108.723","0.002","90","","2644.5","0.4","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium bis(trichloroacetate) 0.4-hydrate","","- C21 H20.8 Cl6 F2 N2 O4.4 -","- C21 H20.796 Cl6 F2 N2 O4.398 -","- C84 H83.184 Cl24 F8 N8 O17.592 -","4","1","ZJ2061","Dayananda, A. S.; Yathirajan, H. S.; Flörke, Ulrich","4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium bis(trichloroacetate) 0.4-hydrate","Acta Crystallographica Section E","2012","68","4","o968","","10.1107/S1600536812009282","","","0.71073","MoKα","","0.0482","0.0401","","","0.0899","0.0936","","","","","","1.117","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234483","12.5776","0.0008","16.531","0.001","7.9421","0.0005","90","","97.759","0.001","90","","1636.21","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(3,5-Diphenyl-1H-pyrazol-1-yl)methyl]pyridine","","- C21 H17 N3 -","- C21 H17 N3 -","- C84 H68 N12 -","4","1","ZJ2063","Guzei, Ilia A.; Okemwa, Teddy T.; Ojwach, Stephen O.","2-[(3,5-Diphenyl-1H-pyrazol-1-yl)methyl]pyridine","Acta Crystallographica Section E","2012","68","4","o1190","","10.1107/S1600536812011804","","","0.71073","MoKα","","0.0411","0.0373","","","0.0939","0.0978","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234484","7.0559","0.0014","15.04","0.003","8.1578","0.0016","90","","93.92","0.03","90","","863.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato- κ^4^O^1^,O^2^:O^2^,O^2'^]","","- C6 H8 Cu O8 -","- C6 H8 Cu O8 -","- C24 H32 Cu4 O32 -","4","1","ZJ2064","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-lin; Gao, Wen-Yuan","catena-Poly[[triaquacopper(II)]-μ~2~-furan-2,5-dicarboxylato-κ^4^O^1^,O^2^:O^2^,O^2'^]","Acta Crystallographica Section E","2012","68","4","m445","","10.1107/S1600536812010161","","","0.71073","MoKα","","0.042","0.0314","","","0.0668","0.0699","","","","","","1.092","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234485","9.439","0.004","10.095","0.004","10.623","0.005","113.115","0.002","107.321","0.002","91.625","0.002","876.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichloridobis[dicyclohexyl(phenyl)phosphane- κP]palladium(II)","","- C36 H54 Cl2 P2 Pd -","- C36 H54 Cl2 P2 Pd -","- C36 H54 Cl2 P2 Pd -","1","0.5","ZL2455","Burgoyne, Andrew R.; Meijboom, Reinout; Ogutu, Hezron","trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-κP]palladium(II)","Acta Crystallographica Section E","2012","68","4","m404","","10.1107/S1600536812010100","","","0.71069","MoKα","","0.0209","0.0205","","","0.0508","0.0511","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234486","9.189","0.0018","9.3548","0.0019","10.39","0.002","78.74","0.03","88.64","0.03","73.68","0.03","840.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis[μ~4~-5-nitroisophthalato- κ^4^O^1^:O^1^:O^3^:O^3'^]bis[μ~3~-pyridine-4- carboxylato-κ^3^O:O':N]tricobalt(II)] tetrahydrate]","","- C28 H26 Co3 N4 O22 -","- C28 H26 Co3 N4 O22 -","- C28 H26 Co3 N4 O22 -","1","0.5","ZL2461","Yin, Xia; Fan, Jun; Xin, Jingling; Zheng, Shengrun; Zhang, Weiguang","Poly[[diaquabis[μ~4~-5-nitroisophthalato-κ^4^O^1^:O^1^:O^3^:O^3'^]bis[μ~3~-pyridine-4-carboxylato-κ^3^O:O':N]tricobalt(II)] tetrahydrate]","Acta Crystallographica Section E","2012","68","4","m451","m452","10.1107/S1600536812011269","","","0.71073","MoKα","","0.0301","0.0265","","","0.0688","0.071","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234487","9.7368","0.0004","9.9771","0.0004","13.4045","0.0005","90.103","0.003","97.013","0.003","100.931","0.004","1268.57","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorido{4-cyclohexyl-1-[1-(pyridin-2-yl- κN)ethylidene]thiosemicarbazidato- κ^2^N^1^,S}diphenyltin(IV)","","- C26 H29 Cl N4 S Sn -","- C26 H29 Cl N4 S Sn -","- C52 H58 Cl2 N8 S2 Sn2 -","2","1","ZL2462","Affan, Md. Abu; Salam, Md. Abdus; Jusoh, Ismail; Ng, Seik Weng; Tiekink, Edward R. T.","Chlorido{4-cyclohexyl-1-[1-(pyridin-2-yl-κN)ethylidene]thiosemicarbazidato-κ^2^N^1^,S}diphenyltin(IV)","Acta Crystallographica Section E","2012","68","4","m435","m436","10.1107/S1600536812010902","","","0.71073","MoKα","","0.0377","0.0289","","","0.056","0.0607","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234488","10.9397","0.0001","9.4251","0.0001","15.4833","0.001","90","","96.414","0.007","90","","1586.46","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Deoxy-1,2-di-O-isopropylidene-5-O-tosyl-D-threo- pentofuranose","","- C15 H20 O6 S -","- C15 H20 O6 S -","- C60 H80 O24 S4 -","4","2","ZL2463","Doboszewski, Bogdan; e Silva, Maria J.; Nazarenko, Alexander Y.; Nemykin, Victor N.","3-Deoxy-1,2-di-O-isopropylidene-5-O-tosyl-D-threo-pentofuranose","Acta Crystallographica Section E","2012","68","4","o1109","o1110","10.1107/S1600536812010884","","","1.54187","CuKα","","0.0378","0.0343","","","0.0829","0.0865","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234489","15.231","0.004","9.994","0.003","15.289","0.004","90","","102.889","0.005","90","","2268.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-{[2,6-Bis(1-methylethyl)phenyl]imino-κN}-1-phenylbut-1-en-1-olato- κO](dimethyl)aluminium","","- C24 H32 Al N O -","- C24 H32 Al N O -","- C96 H128 Al4 N4 O4 -","4","1","ZQ2142","Hao, Haijun; Zhu, Baichun; Yi, Jianjun","(3-{[2,6-Bis(1-methylethyl)phenyl]imino-κN}-1-phenylbut-1-en-1-olato-κO)dimethylaluminium","Acta Crystallographica Section E","2012","68","4","m351","m352","10.1107/S1600536812005880","","","0.71073","MoKα","","0.1505","0.062","","","0.1136","0.1415","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234490","10.298","0.007","17.649","0.012","18.009","0.009","90","","123.94","0.03","90","","2715","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~- N,N,N',N'- tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine- κ^4^P:P':P'':P'''}tetracopper(II)]","","- C58 H52 Cl4 Cu4 N2 P4 -","- C58 H52 Cl4 Cu4 N2 P4 -","- C116 H104 Cl8 Cu8 N4 P8 -","2","0.5","ZQ2150","Liu, Jia-Qin; Zhang, Yan; Lü, Ya-Jing; Jiang, Zhen-Jü","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~-N,N,N',N'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^4^P:P':P'':P'''}tetracopper(II)]","Acta Crystallographica Section E","2012","68","4","m430","","10.1107/S1600536812010860","","","0.71073","MoKα","","0.1079","0.0541","","","0.1237","0.1428","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234491","10.3224","0.0006","12.0389","0.0004","25.3311","0.0013","90","","96.798","0.004","90","","3125.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole","21-[(4-chlorophenyl)carbonyl]-2,2,7,7,12,12,17,17-octamethyl-21,22,23,24- tetraazapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,13,15-tetraene","","- C35 H47 Cl N4 O -","- C35 H47 Cl N4 O -","- C140 H188 Cl4 N16 O4 -","4","1","ZQ2154","Journot, Guillaume; Neier, Reinhard; Stoeckli-Evans, Helen","4-Chlorobenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4] pyrrole","Acta Crystallographica Section E","2012","68","4","o976","o977","10.1107/S1600536812007003","","","0.71073","MoKα","","0.0883","0.0534","","","0.0932","0.102","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234492","10.0523","0.0005","15.5135","0.0006","11.2729","0.0006","90","","114.8","0.004","90","","1595.84","0.14","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3aR*,6S*,7aR*)-7a-Chloro-6-methyl-2-(4- methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1H-isoindole","","- C16 H18 Cl N O3 S -","- C16 H18 Cl N O3 S -","- C64 H72 Cl4 N4 O12 S4 -","4","1","ZQ2155","Temel, Ersin; Demircan, Aydın; Beyazova, Gözde; Büyükgüngör, Orhan","(3aR*,6S*,7aR*)-7a-Chloro-6-methyl-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1H-isoindole","Acta Crystallographica Section E","2012","68","4","o1102","o1103","10.1107/S1600536812009658","","","0.71073","MoKα","","0.047","0.0383","","","0.0968","0.1011","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234493","8.565","0.003","12.245","0.005","14.23","0.005","90","","95.406","0.008","90","","1485.8","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κO)(di-2-pyridylamine- κ^2^N^2^,N^2'^)palladium(II)","","- C14 H15 N3 O4 Pd -","- C14 H15 N3 O4 Pd -","- C56 H60 N12 O16 Pd4 -","4","1","ZQ2158","Ha, Kwang","Bis(acetato-κO)(di-2-pyridylamine-κ^2^N^2^,N^2'^)palladium(II)","Acta Crystallographica Section E","2012","68","4","m502","","10.1107/S1600536812012093","","","0.71073","MoKα","","0.0926","0.0485","","","0.0938","0.1164","","","","","","0.922","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234494","6.2558","0.0001","10.1449","0.0001","18.5682","0.0002","90","","90","","90","","1178.42","0.03","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(5-Chloro-2-oxoindolin-3-ylidene)-N- methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","ZS2177","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-2-(5-Chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o964","o965","10.1107/S1600536812007386","","","0.71073","MoKα","","0.0539","0.0374","","","0.0702","0.0779","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234495","19.1342","0.0018","13.21","0.0004","13.328","0.0013","90","","131.056","0.002","90","","2540.3","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl- κN^3^)phenyl]tetrazolido}manganese(II) dihydrate","","- C20 H26 Mn N12 O6 -","- C20 H26 Mn N12 O6 -","- C80 H104 Mn4 N48 O24 -","4","0.5","ZS2182","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; Li, Shi-Jie; An, Jing-Bo","cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl-κN^3^)phenyl]tetrazolido}manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m433","m434","10.1107/S1600536812010446","","","0.71073","MoKα","","0.0656","0.0563","","","0.1391","0.1419","","","","","","1.307","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234496","19.239","0.003","13.141","0.002","13.417","0.002","90","","129.912","0.002","90","","2601.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl- κN^3^)phenyl]tetrazolido}manganese(II) dihydrate","","- C20 H26 Mn N12 O6 -","- C20 H26 Mn N12 O6 -","- C80 H104 Mn4 N48 O24 -","4","0.5","ZS2184","Wang, Xin; Yan, Shi-Wei; Chang, Suo-Cheng; Liang, Yan-Chen; Zhang, Fu-Tian","cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl-κN^3^)phenyl]tetrazolido}manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","4","m413","m414","10.1107/S1600536812010380","","","0.71073","MoKα","","0.054","0.037","","","0.0899","0.0987","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234497","11.1706","0.0008","8.6735","0.0006","19.0956","0.0014","90","","100.978","0.001","90","","1816.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κS)methyl]pyridin-2- yl-κN}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato- κ^2^N:S]","","- C16 H13 Cu N6 S3 -","- C16 H13 Cu N6 S3 -","- C64 H52 Cu4 N24 S12 -","4","1","ZS2186","Peng, Rong; Ng, Seik Weng","catena-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κS)methyl]pyridin-2-yl-κN}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato-κ^2^N:S]","Acta Crystallographica Section E","2012","68","4","m429","","10.1107/S160053681201063X","","","0.71073","MoKα","","0.0629","0.0456","","","0.1152","0.1249","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234498","12.7461","0.0007","12.9824","0.0007","34.4022","0.0012","90","","90","","90","","5692.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","41-Azido-41-deoxyrapamycin","","- C51 H78 N4 O12 -","- C51 H78 N4 O12 -","- C204 H312 N16 O48 -","4","1","ZS2189","Xie, Lijun; Huang, Jie; Zuo, Jian; Yu, Hui; Cheng, Yuanrong","41-Azido-41-deoxyrapamycin","Acta Crystallographica Section E","2012","68","4","o1206","o1207","10.1107/S1600536812012548","","","1.54184","CuKα","","0.1406","0.0925","","","0.2715","0.3314","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234499","7.621","0.0006","8.0589","0.0007","9.1641","0.0009","102.783","0.001","97.544","0.001","106.036","0.002","516.29","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[(diaquastrontium)-bis{μ-5-[4-(1H-imidazol- 1-yl)phenyl]tetrazolido}]","","- C20 H18 N12 O2 Sr -","- C20 H18 N12 O2 Sr -","- C20 H18 N12 O2 Sr -","1","0.5","ZS2191","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Deng, Qi","catena-Poly[(diaquastrontium)-bis{μ-5-[4-(1H-imidazol-1-yl)phenyl]tetrazolido}]","Acta Crystallographica Section E","2012","68","4","m523","m524","10.1107/S1600536812013347","","","0.71073","MoKα","","0.0379","0.0361","","","0.1156","0.1184","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234500","11.599","0.002","9.0747","0.0018","10.743","0.002","90","","107.081","0.003","90","","1080.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(2-Hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]phenol","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","ZS2192","Zhang, Li-Li; Yu, Kai; Liu, Ling-Ling; Guo, Dian-Shun","2-[4-(2-Hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]phenol","Acta Crystallographica Section E","2012","68","4","o1262","","10.1107/S1600536812012925","","","0.71073","MoKα","","0.0487","0.0413","","","0.1048","0.1089","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234501","12.587","0.003","13.466","0.003","15.872","0.003","91.82","0.03","107.75","0.03","112.2","0.03","2339.1","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","6,7,8,14,15,16-Hexaphenyldibenzo[c,gh]naphtho[3,2,1,8- pqra]tetraphene-5,13-dione dichloromethane monosolvate","6,7,8,14,15,16-Hexaphenyldibenzo[c,gh]naphtho[3,2,1,8- pqra]tetraphene-5,13-dione dichloromethane monosolvate","","- C67 H40 Cl2 O2 -","- C67 H40 Cl2 O2 -","- C134 H80 Cl4 O4 -","2","1","AA2047","Li, Shuhong; Chen, Limin; Xu, Caihong","6,7,8,14,15,16-Hexaphenyldibenzo[c,gh]naphtho[3,2,1,8-pqra]tetraphene-5,13-dione dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","o1284","","10.1107/S1600536812013621","","","0.71073","MoKα","","0.1343","0.0868","","","0.1351","0.1475","","","","","","1.255","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234502","27.016","0.005","10.267","0.002","13.835","0.003","90","","117.04","0.03","90","","3418","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Bis(thiophen-2-yl)pyrazine[2,3-f][1,10]phenanthroline","","- C22 H12 N4 S2 -","- C22 H12 N4 S2 -","- C176 H96 N32 S16 -","8","1","AA2049","Zheng, Chang-Ge; Kong, Jun; Zhang, Peng; Dong, Wen-Xian","2,3-Bis(thiophen-2-yl)pyrazine[2,3-f][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1443","","10.1107/S160053681201522X","","","0.71073","MoKα","","0.0864","0.0632","","","0.1189","0.13","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234503","16.674","0.004","12.197","0.003","17.936","0.004","90","","96.445","0.004","90","","3624.6","1.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3',6'-Bis(diethylamino)-2-[(E)-2-(4-hydroxy-3- methoxybenzylideneamino)ethyl]spiro[isoindoline-1,9'-xanthen]-3-one ethanol monosolvate","","- C40 H48 N4 O5 -","- C40 H48 N4 O5 -","- C160 H192 N16 O20 -","4","1","BG2444","Wei, Zhen; Guo, Jinlong; Zheng, Xujun; Chen, Shunwei; Wan, Qun","3',6'-Bis(diethylamino)-2-[(E)-2-(4-hydroxy-3-methoxybenzylideneamino)ethyl]spiro[isoindoline-1,9'-xanthen]-3-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1479","","10.1107/S1600536812016741","","","0.71073","MoKα","","0.0606","0.0491","","","0.1122","0.1188","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234504","9.3014","0.0017","9.3146","0.0017","11.009","0.002","105.413","0.003","91.798","0.003","100.985","0.003","899.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","5,6,7,5'-Tetramethoxy-3',4'-methylenedioxyflavone monohydrate","5,6,7-trimethoxy-2-(7-methoxy-1,3-dihydro-2-benzofuran-5-yl)- 4H-chromen-4-one monohydrate","","- C20 H20 O9 -","- C20 H20 O9 -","- C40 H40 O18 -","2","1","BG2446","Li, Hou-Jin; Zhou, Da-Lang; Xu, Ting-Juan; Lam, Chi-Keung; Lan, Wen-Jian","5,6,7,5'-Tetramethoxy-3',4'-methylenedioxyflavone monohydrate","Acta Crystallographica Section E","2012","68","5","o1390","","10.1107/S1600536812015139","","","0.71073","MoKα","","0.049","0.0399","","","0.1085","0.1168","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234505","7.3795","0.0008","20.706","0.004","11.028","0.002","90","","90","","90","","1685.1","0.5","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","","- C4 H14 Bi Cl5 N8 O2 -","- C4 H14 Bi Cl5 N8 O2 -","- C16 H56 Bi4 Cl20 N32 O8 -","4","0.5","BG2453","Ferjani, Hel; Boughzala, Habib; Driss, Ahmed","Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]","Acta Crystallographica Section E","2012","68","5","m615","","10.1107/S1600536812015668","","","0.71073","MoKα","","0.0371","0.0292","","","0.0761","0.0798","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234506","6.6764","0.0013","6.7958","0.0014","10.251","0.002","93.66","0.03","103.3","0.03","96.77","0.03","447.48","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1H-imidazol-3-ium) naphthalene-1,5-disulfonate","","- C16 H16 N4 O6 S2 -","- C16 H16 N4 O6 S2 -","- C16 H16 N4 O6 S2 -","1","0.5","BH2419","Wei, Bin","Bis(1H-imidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","5","o1529","","10.1107/S1600536812016972","","","0.71073","MoKα","","0.0389","0.036","","","0.093","0.0945","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234507","10.1929","0.0019","14.576","0.002","9.2565","0.0015","90","","96.499","0.014","90","","1366.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(1H-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κN^3^]dichloridocopper(II)","","- C24 H30 Cl2 Cu N6 O4 -","- C24 H30 Cl2 Cu N6 O4 -","- C48 H60 Cl4 Cu2 N12 O8 -","2","0.5","BH2425","Cao, Gang; Guo, Ting; Xu, Sen","Bis[(1H-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κN^3^]dichloridocopper(II)","Acta Crystallographica Section E","2012","68","5","m607","","10.1107/S1600536812015486","","","0.71073","MoKα","","0.0652","0.052","","","0.0967","0.1014","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234508","9.4779","0.0004","11.4478","0.0005","13.1117","0.0007","95.155","0.004","104.118","0.004","94.626","0.003","1366.31","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4-Butoxyphenyl)(1H-pyrrol-2-yl)methanone","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","2","BH2427","Prakash, V.; Kapoor, Kamini; Shet Prakash, M.; Gupta, Vivek K.; Kant, Rajni","(4-Butoxyphenyl)(1H-pyrrol-2-yl)methanone","Acta Crystallographica Section E","2012","68","5","o1521","","10.1107/S1600536812017370","","","0.71073","MoKα","","0.0942","0.0556","","","0.1349","0.1604","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234509","7.2061","0.0008","9.521","0.001","14.2862","0.0016","104.132","0.001","90.804","0.001","95.82","0.001","944.84","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N-(4-Bromophenyl)-2-[(1-cyclohexylmethyl-1H-1,2,4-triazol- 3-yl)sulfanyl]acetamide","","- C17 H21 Br N4 O S -","- C17 H21 Br N4 O S -","- C34 H42 Br2 N8 O2 S2 -","2","1","BQ2348","Wang, Yue-Ping; Yan, Wan-Lu; Guo, Qiong; He, Yan-Ping","N-(4-Bromophenyl)-2-[(1-cyclohexylmethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2012","68","5","o1495","","10.1107/S1600536812015991","","","0.71073","MoKα","","0.0719","0.0379","","","0.0789","0.0917","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234510","8.3521","0.0003","7.7547","0.0002","15.1953","0.0005","90","","104.447","0.003","90","","953.05","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κO)bis[2-(pyridin-2-yl)ethanol- κ^2^N,O]copper(II)","","- C18 H24 Cu N2 O6 -","- C18 H24 Cu N2 O6 -","- C36 H48 Cu2 N4 O12 -","2","0.5","BQ2349","Lapanje, Katja; Leban, Ivan; Lah, Nina","Bis(acetato-κO)bis[2-(pyridin-2-yl)ethanol-κ^2^N,O]copper(II)","Acta Crystallographica Section E","2012","68","5","m599","","10.1107/S1600536812015747","","","0.71073","MoKα","","0.035","0.0276","","","0.0672","0.0721","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234511","13.5502","0.0014","3.8932","0.0004","29.816","0.003","90","","103.075","0.002","90","","1532.1","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1Z,2E)-N'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide","","- C14 H12 Br Cl N4 O S -","- C14.008 H12 Br Cl N4 O S -","- C56.032 H48 Br4 Cl4 N16 O4 S4 -","4","1","BQ2351","Fun, Hoong-Kun; Chantrapromma, Suchada; Abdel-Aziz, Hatem A.","(1Z,2E)-N'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1510","o1511","10.1107/S1600536812017114","","","0.71073","MoKα","","0.0502","0.031","","","0.0669","0.0745","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234512","7.8949","0.0004","9.1639","0.0005","11.0285","0.0006","81.392","0.004","81.276","0.003","81.682","0.004","773.68","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-carboxypyridinium chloride hemihydrate","","- C6 H8 Cl N2 O2.5 -","- C6 H8 Cl N2 O2.5 -","- C24 H32 Cl4 N8 O10 -","4","2","BQ2352","Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Daran, Jean-Claude","2-Amino-3-carboxypyridinium chloride hemihydrate","Acta Crystallographica Section E","2012","68","5","o1493","o1494","10.1107/S1600536812017230","","","0.71073","MoKα","","0.0427","0.0297","","","0.0744","0.08","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234513","7.4425","0.0004","5.0493","0.0003","15.2452","0.0007","90","","107.381","0.003","90","","546.75","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lithiotantite","lithium tritantalum octaoxide","","- Li0.96 Mn0.03 Na0.01 Nb0.82 O8 Ta2.18 -","- Li0.96 Mn0.03 Na0.01 Nb0.82 O8 Ta2.18 -","- Li3.84 Mn0.12 Na0.04 Nb3.28 O32 Ta8.72 -","4","1","BR2193","Menezes Filho, Luiz A.D.; Yang, Hexiong; Downs, Robert T.; Chaves, Mário L. S. C.; Persiano, Aba C.","Lithiotantite, ideally LiTa~3~O~8~","Acta Crystallographica Section E","2012","68","5","i27","i28","10.1107/S1600536812013566","","","0.71073","MoKα","","0.0348","0.0275","","","0.0558","0.0583","","","","","","1.348","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234514","11.24742","0.00018","24.4932","0.0003","11.49947","0.00016","90","","99.5311","0.0014","90","","3124.2","0.08","110","1","110","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","bis(pentane-1,5-diaminium) iodide tris(triiodide)","","- C10 H32 I10 N4 -","- C10 H32 I10 N4 -","- C40 H128 I40 N16 -","4","1","BR2194","van Megen, Martin; Reiss, Guido J.","The pseudosymmetric structure of bis(pentane-1,5-diaminium) iodide tris(triiodide)","Acta Crystallographica Section E","2012","68","5","o1331","o1332","10.1107/S1600536812014420","","","0.71073","MoKα","","0.0265","0.0237","","","0.0479","0.0484","","","","","","1.784","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234515","10.567","0.003","20.531","0.004","6.388","0.001","90","","90","","90","","1385.9","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","potassium strontium trialuminium tetraarsenate","","- Al3 As4 K1.8 O16 Sr0.6 -","- Al3 As4 K1.8 O16 Sr0.6 -","- Al12 As16 K7.2 O64 Sr2.4 -","4","","BR2195","Haj Abdallah, Anissa; Haddad, Amor","The aluminoarsenate K~1.8~Sr~0.6~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2012","68","5","i29","","10.1107/S1600536812014304","","","0.71073","MoKα","","0.0444","0.0387","","","0.107","0.1118","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234516","8.609","0.005","6.486","0.004","12.868","0.008","90","","106.91","0.01","90","","687.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Distrontium lithium beryllium triborate","","- B3 Be Li O8 Sr2 -","- B3 Be Li O8 Sr2 -","- B12 Be4 Li4 O32 Sr8 -","4","1","BR2197","Yu, Na; Ye, Ning","Distrontium lithium beryllium triborate, Sr~2~LiBeB~3~O~8~","Acta Crystallographica Section E","2012","68","5","i32","","10.1107/S1600536812015164","","","0.71073","MoKα","","0.0301","0.0259","","","0.0585","0.0602","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234517","13.5003","0.001","10.2566","0.0006","16.7453","0.0012","90","","97.027","0.006","90","","2301.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-nitro-2-{[2- (oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate","","- C36 H44 Cl2 Fe2 N4 O12 S4 -","- C36 H44 Cl2 Fe2 N4 O12 S4 -","- C72 H88 Cl4 Fe4 N8 O24 S8 -","2","0.5","BR2198","Chygorin, Eduard N.; Rusanova, Julia A.; Zubatyuk, Roman I.; Shishkin, Oleg V.","Bis(μ-4-nitro-2-{[2-(oxidomethyl)phenyl]iminomethyl}phenolato)bis[chlorido(dimethyl sulfoxide)iron(III)] dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2012","68","5","m668","","10.1107/S1600536812017424","","","0.7107","MoKα","","0.1085","0.0589","","","0.1377","0.1601","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234518","6.5336","0.0003","16.3869","0.0007","7.7048","0.0003","90","","98.506","0.004","90","","815.84","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraaquatetramanganese(II) catena-[germanodihydroxidodi(hydrogenphosphate)diphosphate]","","- Ge H12 Mn4 O22 P4 -","- Ge H12 Mn4 O22 P4 -","- Ge2 H24 Mn8 O44 P8 -","2","0.5","BR2199","Zhang, Xin; Wen, Lei; Chen, Hong-Ming; Mi, Jin-Xiao; Huang, Ya-Xi","Tetraaquatetramanganese(II) catena-[germanodihydroxidodi(hydrogenphosphate)diphosphate]","Acta Crystallographica Section E","2012","68","5","i37","i38","10.1107/S160053681201673X","","","0.71073","MoKα","","0.0581","0.0423","","","0.061","0.0642","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234519","18.2243","0.0017","3.8253","0.0005","23.622","0.003","90","","96.61","0.01","90","","1635.8","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7-Dichloroquinoline","","- C9 H5 Cl2 N -","- C9 H5 Cl2 N -","- C72 H40 Cl16 N8 -","8","2","BT5833","Kulkarni, Amol A.; King, Christopher; Butcher, Ray J.; Fortunak, Joseph M. D.","4,7-Dichloroquinoline","Acta Crystallographica Section E","2012","68","5","o1498","","10.1107/S1600536812014924","","","1.54178","CuKα","","0.1271","0.0961","","","0.272","0.3267","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234520","11.2039","0.001","12.2665","0.0011","19.9774","0.0018","90","","90","","90","","2745.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lurasidone hydrochloride","4-(1,2-benzothiazol-3-yl)-1-({2-[(3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]decan- 4-yl)methyl]cyclohexyl}methyl)piperazin-1-ium chloride","","- C28 H37 Cl N4 O2 S -","- C28 H37 Cl N4 O2 S -","- C112 H148 Cl4 N16 O8 S4 -","4","1","BT5835","Zhang, Hua; Wang, Hubo; Zhu, Xueyan; Yuan, Zhedong; Jiang, Huijuan","Lurasidone hydrochloride","Acta Crystallographica Section E","2012","68","5","o1357","","10.1107/S1600536812012883","","","0.71073","MoKα","","0.0561","0.0473","","","0.1037","0.1079","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234521","7.0048","0.0006","7.8297","0.0008","21.4256","0.0019","91.371","0.008","91.292","0.007","95.21","0.008","1169.55","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7-Chloro-4-(piperazin-1-yl)quinoline","","- C13 H14 Cl N3 -","- C13 H14 Cl N3 -","- C52 H56 Cl4 N12 -","4","2","BT5836","Kulkarni, Amol A.; King, Christopher L.; Fortunak, Joseph M. D.; Butcher, Ray J.","7-Chloro-4-(piperazin-1-yl)quinoline","Acta Crystallographica Section E","2012","68","5","o1497","","10.1107/S1600536812014912","","","1.54184","CuKα","","0.0883","0.074","","","0.2183","0.2284","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234522","5.0379","0.0005","10.5453","0.001","13.3936","0.0013","85.274","0.008","82.17","0.008","83.034","0.008","698.14","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(2-Methoxyethyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine- 5-carbonitrile","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C24 H34 N6 O4 S2 -","2","1","BT5854","El-Emam, Ali A.; Demirtaş, Güneş; Dege, Necmi; Al-Deeb, Omar A.; El-Brollosy, Nasser R.","2-[(2-Methoxyethyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1379","","10.1107/S1600536812013372","","","0.71073","MoKα","","0.0612","0.0444","","","0.1165","0.1261","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234523","8.651","0.002","41.235","0.01","6.0517","0.0014","90","","90","","90","","2158.8","0.9","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","","- C28 H22 S2 -","- C28 H22 S2 -","- C112 H88 S8 -","4","0.5","BT5855","Padilla-Mata, Esteban; German-Acacio, Juan M.; García-Eleno, Marco A.; Reyes-Martínez, Reyna; Morales-Morales, David","1,3-Bis[(naphthalen-2-ylsulfanyl)methyl]benzene","Acta Crystallographica Section E","2012","68","5","o1429","","10.1107/S1600536812015280","","","0.71073","MoKα","","0.0859","0.0537","","","0.1117","0.1235","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234524","6.865","0.002","16.229","0.005","19.019","0.007","67.43","0.008","86.597","0.013","81.626","0.014","1935.8","1.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Heptaaqua(3,4,5,6-tetrachlorophthalato-κO^1^)erbium(III) 2-carboxy-3,4,5,6-tetrachlorobenzoate‒3,4,5,6-tetrachlorophthalic acid‒water (1/1/1)","","- C24 H19 Cl12 Er O20 -","- C24 H19 Cl12 Er O20 -","- C48 H38 Cl24 Er2 O40 -","2","1","BT5856","Ouyang, Yan; Shao, Jia; Hao, Lanfang; Lu, Jixin","Heptaaqua(3,4,5,6-tetrachlorophthalato-κO^1^)erbium(III) 2-carboxy-3,4,5,6-tetrachlorobenzoate‒3,4,5,6-tetrachlorophthalic acid‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","m662","m663","10.1107/S1600536812016923","","","0.7107","MoKα","","0.0281","0.0238","","","0.0616","0.0628","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234525","24.545","0.008","8.689","0.003","15.809","0.005","90","","90","","90","","3371.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl (2E)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","","- C19 H17 N O3 S -","- C19 H17 N O3 S -","- C152 H136 N8 O24 S8 -","8","1","BT5861","Anand, S.; Narayanan, S.; Sundaramoorthy, S.; Velmurugan, D.","Methyl (2E)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","5","o1496","","10.1107/S1600536812014560","","","0.71073","MoKα","","0.0682","0.0407","","","0.107","0.1221","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234526","14.8888","0.0018","5.8395","0.0006","16.6778","0.0019","90","","91.448","0.003","90","","1449.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Octyl-1H-benzimidazol-2(3H)-one","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","BT5862","Belaziz, Dounia; Kandri Rodi, Youssef; Essassi, El Mokhtar; El Ammari, Lahcen","1-Octyl-1H-benzimidazol-2(3H)-one","Acta Crystallographica Section E","2012","68","5","o1276","","10.1107/S1600536812013384","","","0.71073","MoKα","","0.0801","0.0474","","","0.1226","0.1432","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234527","8.0978","0.0002","10.366","0.0003","28.8194","0.0008","90","","90","","90","","2419.15","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H34 N2 O6 -","- C25 H34 N2 O6 -","- C100 H136 N8 O24 -","4","1","BT5864","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","5","o1309","o1310","10.1107/S1600536812013876","","","0.71073","MoKα","","0.0407","0.0343","","","0.0883","0.0933","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234528","4.8322","0.0003","12.7817","0.001","21.8544","0.0012","90","","90.778","0.005","90","","1349.68","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-N-(2,6-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","BT5865","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-N-(2,6-dimethylphenyl)benzamide","Acta Crystallographica Section E","2012","68","5","o1408","","10.1107/S1600536812015607","","","0.71073","MoKα","","0.1187","0.0924","","","","0.2481","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234529","11.6028","0.0008","35.1","0.003","10.4886","0.0008","90","","100.92","0.007","90","","4194.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Methylbenzoyl)benzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C168 H156 N12 O36 S12 -","12","3","BT5866","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(3-Methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1327","","10.1107/S1600536812013931","","","0.71073","MoKα","","0.1657","0.0968","","","0.1264","0.1462","","","","","","1.292","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234530","9.1117","0.0005","12.2995","0.0007","10.1177","0.0005","90","","91.837","0.001","90","","1133.3","0.11","292","2","292","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,9-trihydroxy-8-oxatetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca- 2,4,6,10(15),11,13-hexaen-16-one","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","BT5867","Devi, T. Uma; Priya, S.; Kalpana, G.; Selvanayagam, S.; Sridhar, B.","Resorcinol ninhydrin complex: 1,5,9-trihydroxy-8-oxatetracyclo[7.7.0.0^2,7^.0^10,15^]hexadeca-2,4,6,10(15),11,13-hexaen-16-one","Acta Crystallographica Section E","2012","68","5","o1323","","10.1107/S1600536812014249","","","0.71073","MoKα","","0.0419","0.0391","","","0.1037","0.1064","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234531","24.935","0.003","7.1911","0.0006","13.9283","0.0016","90","","112.199","0.013","90","","2312.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[3-(pyridin-4-yl)benzoato-κN]manganese(II)","","- C24 H24 Mn N2 O8 -","- C24 H24 Mn N2 O8 -","- C96 H96 Mn4 N8 O32 -","4","0.5","BT5868","Gao, Ru-Qin; Li, Guo-Ting","Tetraaquabis[3-(pyridin-4-yl)benzoato-κN]manganese(II)","Acta Crystallographica Section E","2012","68","5","m562","","10.1107/S1600536812014602","","","0.71073","MoKα","","0.0452","0.0335","","","0.0747","0.0792","","","","","","1.05","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2234532","10.298","0.0008","10.0586","0.0009","19.2595","0.0017","90","","90","","90","","1995","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethylammonium 4-hydroxybenzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","BT5869","Sornamurthy, B. M.; Peramaiyan, G.; Chakkaravarthi, G.; Kumar, R. Mohan; Manivannan, V.","Dimethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1445","","10.1107/S1600536812016145","","","0.71073","MoKα","","0.0699","0.047","","","0.1251","0.1431","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234533","3.6477","0.0003","16.9661","0.0012","9.5465","0.0007","90","","97.465","0.001","90","","585.8","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(diaminomethylidene)azanium] 5-(1-oxido-1H-1,2,3,4-tetrazol-5-yl)- 1H-1,2,3,4-tetrazol-1-olate","","- C4 H12 N14 O2 -","- C4 H12 N14 O2 -","- C8 H24 N28 O4 -","2","0.5","BT5870","Fan, Rong; Li, Ping; Ng, Seik Weng","Bis[(diaminomethylidene)azanium] 5-(1-oxido-1H-1,2,3,4-tetrazol-5-yl)-1H-1,2,3,4-tetrazol-1-olate","Acta Crystallographica Section E","2012","68","5","o1376","","10.1107/S1600536812014456","","","0.71073","MoKα","","0.0406","0.0386","","","0.1046","0.107","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234534","9.8866","0.0004","5.6332","0.0002","18.6577","0.0008","90","","96.199","0.003","90","","1033.03","0.07","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dipotassium trisodium triphosphate","","- K2 Na3 O10 P3 -","- K2 Na3 O10 P3 -","- K8 Na12 O40 P12 -","4","0.5","BT5872","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Dipotassium trisodium triphosphate, K~2~Na~3~P~3~O~10~","Acta Crystallographica Section E","2012","68","5","i31","","10.1107/S1600536812014894","","","0.71073","MoKα","","0.0505","0.032","","","0.0738","0.0795","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234535","25.819","0.002","6.006","0.0004","20.1176","0.0015","90","","136.222","0.004","90","","2158.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(2-aminopyrimidine-κN^1^)(thiocyanato- κS)mercury(II)]-μ-thiocyanato-κ^2^S:N]","","- C6 H5 Hg N5 S2 -","- C6 H5 Hg N5 S2 -","- C48 H40 Hg8 N40 S16 -","8","1","BT5873","Hoseinzadeh, Fatemeh; Shirvan, Sadif A.; Haydari Dezfuli, Sara","catena-Poly[[(2-aminopyrimidine-κN^1^)(thiocyanato-κS)mercury(II)]-μ-thiocyanato-κ^2^S:N]","Acta Crystallographica Section E","2012","68","5","m646","","10.1107/S1600536812016790","","","0.71073","MoKα","","0.0732","0.0487","","","0.0824","0.088","","","","","","1.099","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234536","10.5657","0.0004","10.9275","0.0005","11.8961","0.0005","71.25","0.002","77.889","0.003","76.656","0.002","1251.7","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl (2E)-2-({2-[(2E)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-\ dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate","","- C31 H26 O6 -","- C31 H26 O6 -","- C62 H52 O12 -","2","1","BT5874","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","Methyl (2E)-2-({2-[(2E)-2-benzylidene-3-methoxy-3-oxopropyl]-1,3-dioxoindan-2-yl}methyl)-3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","5","o1563","o1564","10.1107/S1600536812017965","","","0.71073","MoKα","","0.0649","0.0444","","","0.1146","0.1281","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234537","11.2553","0.0006","23.9104","0.0015","9.4741","0.0005","90","","91.229","0.003","90","","2549.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl [(2-bromoanilino)(1,3-diphenyl-1H-pyrazol-4-yl)methyl]phosphonate","","- C26 H27 Br N3 O3 P -","- C26 H27 Br N3 O3 P -","- C104 H108 Br4 N12 O12 P4 -","4","1","BT5876","Suresh, G.; Sabari, V.; Nandakumar, A.; Perumal, P. T.; Aravindhan, S.","Diethyl [(2-bromoanilino)(1,3-diphenyl-1H-pyrazol-4-yl)methyl]phosphonate","Acta Crystallographica Section E","2012","68","5","o1554","","10.1107/S1600536812017849","","","0.71073","MoKα","","0.0784","0.0466","","","0.1112","0.1288","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234538","9.8452","0.0002","13.0116","0.0003","13.1736","0.0005","116.495","0.001","105.757","0.001","96.122","0.001","1401.81","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Bis(2-acetylpyridine-(4-phenylthiosemicarbazonate)cadmiun(II)","Bis{4-phenyl-1-[1-(pyridin-2-yl-κN)ethylidene]thiosemicarbazidato- κ^2^N^1^,S}cadmium","","- C28 H26 Cd N8 S2 -","- C28 H26 Cd N8 S2 -","- C56 H52 Cd2 N16 S4 -","2","1","BT5877","de Fonseca, Alexandra; Gervini, Vanessa Carratu; Bresolin, Leandro; Locatelli, Aline; de Oliveira, Adriano Bof","Bis{4-phenyl-1-[1-(pyridin-2-yl-κN)ethylidene]thiosemicarbazidato-κ^2^N^1^,S}cadmium","Acta Crystallographica Section E","2012","68","5","m635","m636","10.1107/S1600536812016558","","","0.71073","MoKα","","0.062","0.0376","","","0.0718","0.0801","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234539","5.1053","0.0005","13.078","0.001","20.163","0.002","90","","90","","90","","1346.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-Nitrobenzoyl)benzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","BT5879","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(3-Nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1507","","10.1107/S1600536812016765","","","0.71073","MoKα","","0.0931","0.0645","","","0.1211","0.1373","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234540","4.0165","0.0001","10.8098","0.0004","21.4036","0.0007","90","","99.535","0.002","90","","916.45","0.05","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C20 H18 N4 O8 -","- C20 H18 N4 O8 -","- C40 H36 N8 O16 -","2","0.5","BT5880","Rodrigues, V. H.; Hakimi, Mohammad; Motieiyan, Elham","Bis(2-aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1524","","10.1107/S1600536812017254","","","0.71073","MoKα","","0.0556","0.0373","","","0.0918","0.102","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234541","7.1681","0.0009","10.8147","0.0013","12.3448","0.0018","90","","103.155","0.001","90","","931.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3- amine","","- C6 H4 N8 O3 -","- C6 H4 N8 O3 -","- C24 H16 N32 O12 -","4","0.5","BT5881","Jia, Si-Yuan; Wang, Bo-Zhou; Fan, Xue-Zhong; Li, Ping; Ng, Seik Weng","4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine","Acta Crystallographica Section E","2012","68","5","o1573","","10.1107/S1600536812017825","","","0.71073","MoKα","","0.0341","0.031","","","0.093","0.0961","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234542","11.0871","0.0008","9.8779","0.0007","12.879","0.0009","90","","115.135","0.001","90","","1276.91","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyrimidine-κ^2^N^1^,N^1'^)bis(thiocyanato- κN)platinum(II)","","- C10 H6 N6 Pt S2 -","- C10 H6 N6 Pt S2 -","- C40 H24 N24 Pt4 S8 -","4","1","BT5882","Ha, Kwang","(2,2'-Bipyrimidine-κ^2^N^1^,N^1'^)bis(thiocyanato-κN)platinum(II)","Acta Crystallographica Section E","2012","68","5","m676","","10.1107/S1600536812017552","","","0.71073","MoKα","","0.0508","0.0429","","","0.0953","0.1045","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234543","13.3976","0.0008","6.2101","0.0006","13.6079","0.0009","90","","90","","90","","1132.18","0.15","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methoxypyridin-3-yl)diazene","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","0.5","BT5885","Thies, Steffen; Näther, Christian; Herges, Rainer","Bis(4-methoxypyridin-3-yl)diazene","Acta Crystallographica Section E","2012","68","5","o1568","","10.1107/S1600536812018326","","","0.71073","MoKα","","0.051","0.0385","","","0.098","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234544","5.9447","0.0003","18.7233","0.001","8.7548","0.0005","90","","94.02","0.004","90","","972.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(3-acetylpyridine-κN)cadmium]-di-μ- selenocyanato-κ^2^N:Se;κ^2^Se:N]","","- C16 H14 Cd N4 O2 Se2 -","- C16 H14 Cd N4 O2 Se2 -","- C32 H28 Cd2 N8 O4 Se4 -","2","0.5","BT5897","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","catena-Poly[[bis(3-acetylpyridine-κN)cadmium]-di-μ-selenocyanato-κ^2^N:Se;κ^2^Se:N]","Acta Crystallographica Section E","2012","68","5","m704","","10.1107/S1600536812018375","","","0.71073","MoKα","","0.0351","0.0306","","","0.0593","0.0609","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234545","19.1098","0.0006","9.0064","0.0004","14.9734","0.0005","90","","128.203","0.002","90","","2025.13","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(3-acetylpyridine-κN)diaquabis(selenocyanato-κN)cobalt(II)","","- C16 H18 Co N4 O4 Se2 -","- C16 H18 Co N4 O4 Se2 -","- C64 H72 Co4 N16 O16 Se8 -","4","0.5","BT5898","Werner, Julia; Boeckmann, Jan; Jess, Inke; Näther, Christian","Bis(3-acetylpyridine-κN)diaquabis(selenocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","5","m703","","10.1107/S1600536812018387","","","0.71073","MoKα","","0.0318","0.0287","","","0.0642","0.0656","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234546","8.1796","0.0012","8.4125","0.0012","8.9643","0.0011","81.364","0.016","66.027","0.015","84.879","0.017","556.97","0.15","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyanamido-κN)tetrakis(pyridazine-κN)nickel(II)","","- C20 H16 N14 Ni -","- C20 H16 N14 Ni -","- C20 H16 N14 Ni -","1","0.5","BT5900","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Bis(dicyanamido-κN)tetrakis(pyridazine-κN)nickel(II)","Acta Crystallographica Section E","2012","68","5","m696","","10.1107/S1600536812018363","","","0.71073","MoKα","","0.0818","0.048","","","0.086","0.0967","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234547","13.1155","0.0007","16.9619","0.0011","10.7399","0.0005","90","","105.509","0.003","90","","2302.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-N- phenylhydrazinecarboxamide dimethylformamide monosolvate","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","BV2201","Annie, C. F.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2E)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-N-phenylhydrazinecarboxamide dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","o1519","o1520","10.1107/S1600536812017382","","","0.71073","MoKα","","0.0731","0.0516","","","0.1389","0.1575","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234548","6.8462","0.0001","24.7903","0.0005","8.3719","0.0001","90","","125.249","0.001","90","","1160.36","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide","","- C13 H9 F2 N3 O -","- C13 H9 F2 N3 O -","- C52 H36 F8 N12 O4 -","4","1","BV2204","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","N'-(2,6-Difluorobenzylidene)pyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1484","","10.1107/S1600536812016716","","","0.71073","MoKα","","0.0551","0.0445","","","0.1094","0.1168","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234549","8.7127","0.0004","9.5712","0.0004","11.3379","0.0005","87.225","0.002","72.014","0.002","67.673","0.002","829.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,6,7-Tetrabromo-9-butyl-9H-carbazole","","- C16 H13 Br4 N -","- C16 H13 Br4 N -","- C32 H26 Br8 N2 -","2","1","BX2400","Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin","2,3,6,7-Tetrabromo-9-butyl-9H-carbazole","Acta Crystallographica Section E","2012","68","5","o1339","","10.1107/S1600536812013761","","","0.71073","MoKα","","0.0643","0.0378","","","0.0842","0.0924","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234550","9.2151","0.0018","6.6673","0.0013","17.267","0.004","90","","101.46","0.03","90","","1039.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Diammonio-1,2,3-trideoxy-cis-inositol sulfate","","- C6 H16 N2 O7 S -","- C6 H16 N2 O7 S -","- C24 H64 N8 O28 S4 -","4","1","BX2402","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","1,3-Diammonio-1,2,3-trideoxy-cis-inositol sulfate","Acta Crystallographica Section E","2012","68","5","o1425","o1426","10.1107/S1600536812016029","","","0.71073","MoKα","","0.0273","0.0255","","","0.0642","0.0656","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234551","14.569","0.002","7.8623","0.0012","17.042","0.003","90","","90","","90","","1952.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5,11,14-tetraazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),2(6),3,7,9,11,14,16-octaene","5H-Imidazo[4,5-f][1,10]phenanthroline","","- C13 H8 N4 -","- C13 H8 N4 -","- C104 H64 N32 -","8","1","BX2404","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","5H-Imidazo[4,5-f][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1448","","10.1107/S1600536812016595","","","0.71073","MoKα","","0.0903","0.0415","","","0.0986","0.1225","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234552","12.1004","0.0003","8.1992","0.0002","18.0607","0.0004","90","","90.577","0.003","90","","1791.78","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata- s-indacene","2,2-difluoro-8-(4-iodophenyl)-4,6,10,12-tetramethyl-1λ^5^,3-diaza-2λ^4^- boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","1","CV5238","Sun, Yongling","4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata-s-indacene","Acta Crystallographica Section E","2012","68","5","o1302","","10.1107/S1600536812004072","","","1.54184","CuKα","","0.0717","0.0615","","","0.1528","0.1658","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234553","5.3848","0.0011","8.4482","0.0017","24.238","0.005","90","","92.59","0.03","90","","1101.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-nitrophenoxy)acetate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","CV5259","Sun, Su-Wen","Ethyl 2-(4-nitrophenoxy)acetate","Acta Crystallographica Section E","2012","68","5","o1534","","10.1107/S1600536812017242","","","0.71073","MoKα","","0.1284","0.068","","","0.1315","0.1561","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234554","9.687","0.003","26.608","0.009","8.876","0.005","90","","108.408","0.017","90","","2170.7","1.6","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]- 1,3-dithiolo[4,5-c]pyrrole-4-carboxylate","","- C19 H25 N O2 S6 -","- C19 H25 N O2 S6 -","- C76 H100 N4 O8 S24 -","4","1","CV5262","Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin","Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-c]pyrrole-4-carboxylate","Acta Crystallographica Section E","2012","68","5","o1400","","10.1107/S1600536812015309","","","0.71073","MoKα","","0.0525","0.0421","","","0.1131","0.1198","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234555","12.525","0.0018","7.8885","0.0012","19.143","0.003","90","","106.812","0.003","90","","1810.6","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Benzoyl-13-bromo-4-hydroxy[2.2]paracyclophane","","- C23 H19 Br O2 -","- C23 H19 Br O2 -","- C92 H76 Br4 O8 -","4","1","CV5263","Ma, Kelin; Duan, Wenzeng; He, Fuyan; Ma, Yudao","5-Benzoyl-13-bromo-4-hydroxy[2.2]paracyclophane","Acta Crystallographica Section E","2012","68","5","o1380","","10.1107/S1600536812013803","","","0.71073","MoKα","","0.0752","0.0486","","","0.1267","0.1465","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234556","16.5762","0.0004","9.1158","0.0002","15.0288","0.0004","90","","90","","90","","2270.93","0.1","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridine-κ^2^N,N')tris(nitrato- κ^2^O,O')erbium(III)","","- C20 H16 Er N7 O9 -","- C20 H16 Er N7 O9 -","- C80 H64 Er4 N28 O36 -","4","0.5","CV5264","Yang, Hua","Bis(2,2'-bipyridine-κ^2^N,N')tris(nitrato-κ^2^O,O')erbium(III)","Acta Crystallographica Section E","2012","68","5","m577","","10.1107/S1600536812014031","","","0.71073","MoKα","","0.031","0.0184","","","0.0417","0.0505","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234557","32.692","0.006","6.3772","0.0011","18.215","0.003","90","","92.985","0.002","90","","3792.4","1.1","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-5-yl)-2-{4-[3- (trifluoromethyl)phenyl]piperazin-1-yl}ethanone","","- C20 H22 F3 N3 O S -","- C20 H22 F3 N3 O S -","- C160 H176 F24 N24 O8 S8 -","8","1","CV5266","Zhi, Shuang; Zheng, Guo; Liu, Ying; Liu, Deng-Ke","1-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-5-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone","Acta Crystallographica Section E","2012","68","5","o1293","","10.1107/S1600536812013591","","","0.71073","MoKα","","0.0421","0.0324","","","0.089","0.0967","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234558","9.9418","0.0005","12.8955","0.0006","16.7076","0.0008","68.239","0.001","77.563","0.001","67.561","0.001","1831.91","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(1-phenyl-1H-imidazole-κN^3^)bis(thiocyanato- κN)nickel(II)","","- C38 H32 N10 Ni S2 -","- C38 H32 N10 Ni S2 -","- C76 H64 N20 Ni2 S4 -","2","1","CV5267","Zheng, Shao-Mei; Liu, Bao-Cheng","Tetrakis(1-phenyl-1H-imidazole-κN^3^)bis(thiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2012","68","5","m623","","10.1107/S1600536812015437","","","0.71073","MoKα","","0.095","0.0622","","","0.1739","0.2357","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234559","9.6796","0.0002","10.9426","0.0003","13.1833","0.0004","111.122","0.001","90.961","0.001","107.19","0.001","1232.41","0.06","296","2","296","2","101.325","","","","","","","4","P -1","-P 1","2","1,4-Bis(tosyloxy)anthraquinone","9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)","","- C28 H20 O8 S2 -","- C28 H20 O8 S2 -","- C56 H40 O16 S4 -","2","1","CV5268","Teerawatananond, Thapong; Kerdsamut, Chiaranan; Kokpol, Sirirat; Muangsin, Nongnuj","9,10-Dioxoanthracene-1,4-diyl bis(4-methylbenzenesulfonate)","Acta Crystallographica Section E","2012","68","5","o1423","o1424","10.1107/S1600536812015814","","","0.71073","MoKα","","0.0676","0.0436","","","0.1112","0.1267","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234560","10.1155","0.0004","15.2482","0.0005","19.4882","0.0006","90","","99.853","0.003","90","","2961.58","0.18","129.9","","129.9","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tert-Butyl 6-amino-5-cyano-2-(2-methoxyethyl)nicotinate","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C112 H152 N24 O24 -","8","1","CV5269","Chen, Yi-Ning; Zhao, Xing-Dong; Deng, Jie; Li, Qin-Geng","tert-Butyl 6-amino-5-cyano-2-(2-methoxyethyl)nicotinate","Acta Crystallographica Section E","2012","68","5","o1375","","10.1107/S1600536812014328","","","0.7107","MoKα","","0.0531","0.0401","","","0.0919","0.1004","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234561","9.903","0.0004","9.931","0.0004","10.415","0.0004","85.727","0.002","68.475","0.002","62.295","0.002","837.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane- κP]rhodium(I)","","- C41 H34 Cl O P2 Rh -","- C41 H34 Cl O P2 Rh -","- C41 H34 Cl O P2 Rh -","1","0.5","CV5270","Ogutu, Hezron; Kirsten, Leo; Meijboom, Reinout","trans-Carbonylchloridobis[diphenyl(4-vinylphenyl)phosphane-κP]rhodium(I)","Acta Crystallographica Section E","2012","68","5","m545","","10.1107/S1600536812013669","","","1.54178","CuKα","","0.0237","0.0235","","","","0.0573","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234562","23.398","0.005","5.8343","0.0012","7.3934","0.0015","90","","90","","90","","1009.3","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(pyridin-4-ylmethoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","CV5271","Wang, Guang-Tu; Zhang, Yong; Yang, Jin-Xin; Zou, Ping; Hou, Guang-Feng","A second orthorhombic polymorph of 2-(pyridin-4-ylmethoxy)phenol","Acta Crystallographica Section E","2012","68","5","o1366","","10.1107/S1600536812014067","","","0.71073","MoKα","","0.0906","0.0427","","","0.0662","0.0769","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234563","8.8779","0.0003","20.3438","0.0006","13.574","0.0005","90","","102.213","0.003","90","","2396.12","0.14","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-methoxyoxalyl-3,5-diphenylpyrrolidine-2,2-dicarboxylate","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","CV5272","He, Yan-Qin; Chen, Jin-Quan","Diethyl 4-methoxyoxalyl-3,5-diphenylpyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1325","","10.1107/S160053681201392X","","","0.71073","MoKα","","0.092","0.0514","","","0.1136","0.1334","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234564","11.2518","0.0014","18.38","0.002","25.86","0.003","90","","90","","90","","5348.1","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","","- C35 H24 N4 O2 -","- C35 H24 N4 O2 -","- C280 H192 N32 O16 -","8","1","CV5273","Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","Acta Crystallographica Section E","2012","68","5","o1358","","10.1107/S1600536812014833","","","0.71073","MoKα","","0.0671","0.0422","","","0.1053","0.1232","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234565","16.703","0.003","17.878","0.004","8.929","0.002","90","","114.915","0.005","90","","2418.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2-amino-2-oxo-N-[(1E)-1-(pyridin-2- yl-κN)ethylidene]acetohydrazidato-κ^2^N',O^1^}nickel(II)","","- C18 H18 N8 Ni O4 -","- C18 H18 N8 Ni O4 -","- C72 H72 N32 Ni4 O16 -","4","0.5","CV5274","Kane, Cheikh Hamidou; Thiam, Ibrahima Elhadj; Tamboura, Farba Bouyagui; Gaye, Mohamed; Retailleau, Pascal","Bis{2-amino-2-oxo-N-[(1E)-1-(pyridin-2-yl-κN)ethylidene]acetohydrazidato-κ^2^N',O^1^}nickel(II)","Acta Crystallographica Section E","2012","68","5","m553","","10.1107/S1600536812014109","","","0.7107","MoKα","","0.084","0.051","","","0.1216","0.1371","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234566","11.327","0.002","10.207","0.002","14.452","0.003","90","","90","","90","","1670.9","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[(dichloridozinc)-μ-1-{4-[(1H-imidazol-1- yl)methyl]benzyl}-1H-imidazole-κ^2^N^3^:N^3'^]","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C56 H56 Cl8 N16 Zn4 -","4","0.5","CV5275","Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng","catena-Poly[(dichloridozinc)-μ-1-{4-[(1H-imidazol-1-yl)methyl]benzyl}-1H-imidazole-κ^2^N^3^:N^3'^]","Acta Crystallographica Section E","2012","68","5","m621","","10.1107/S1600536812015395","","","0.71073","MoKα","","0.0263","0.0231","","","0.0616","0.0629","","","","","","1.081","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234567","6.6873","0.0013","12.433","0.003","6.9298","0.0014","90","","116.96","0.03","90","","513.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-Aza-1-azoniabicyclo[2.2.2]octane-κN^4^)trichloridocobalt(II)","","- C6 H13 Cl3 Co N2 -","- C6 H13 Cl3 Co N2 -","- C12 H26 Cl6 Co2 N4 -","2","1","CV5276","Zhou, Qinqin; Zhu, Bo-Han","(4-Aza-1-azoniabicyclo[2.2.2]octane-κN^4^)trichloridocobalt(II)","Acta Crystallographica Section E","2012","68","5","m675","","10.1107/S1600536812017199","","","0.71073","MoKα","","0.025","0.0238","","","0.0531","0.0537","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234568","18.381","0.004","4.4429","0.0009","14.846","0.003","90","","90.85","0.003","90","","1212.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(5-Amino-2H-tetrazol-2-yl)acetic acid","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","CV5277","Zhang, Guo-Chun; Qiao, Cheng-Fang; Zhou, Chun-Sheng; Xia, Zheng-Qiang","2-(5-Amino-2H-tetrazol-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","5","o1330","","10.1107/S1600536812014389","","","0.71073","MoKα","","0.0615","0.0444","","","0.1121","0.1239","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234569","19.8137","0.0019","6.1588","0.0004","18.0784","0.0014","90","","108.881","0.009","90","","2087.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","CV5278","Dutkiewicz, Grzegorz; Shetty, Divya N.; Narayana, B.; Yathirajan, H. S.; Kubicki, Maciej","4-[(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","Acta Crystallographica Section E","2012","68","5","o1324","","10.1107/S1600536812014262","","","0.71073","MoKα","","0.0728","0.0515","","","0.1094","0.1193","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234570","7.5995","0.0015","23.165","0.005","11.453","0.002","90","","90","","90","","2016.2","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","0.5","CV5279","Xu, Qian","Bis(2-methylpiperidinium) pentachloridoantimonate(III)","Acta Crystallographica Section E","2012","68","5","m671","","10.1107/S1600536812017163","","","0.71073","MoKα","","0.0459","0.0331","","","0.0615","0.0652","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234571","10.9914","0.0006","11.7868","0.0006","13.7725","0.0007","114.306","0.001","91.211","0.001","91.984","0.001","1623.92","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-[23-oxo-22,24-diphenyl-8,11,14-trioxa-25- azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaen-25-yl]but-2-enedioate","","- C39 H37 N O8 -","- C39 H37 N O8 -","- C78 H74 N2 O16 -","2","1","CV5280","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.","Dimethyl 2-[23-oxo-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","5","o1386","o1387","10.1107/S1600536812015206","","","0.71073","MoKα","","0.0532","0.0416","","","0.0999","0.1075","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234572","12.1741","0.0013","5.2613","0.0006","15.3113","0.0016","90","","94.428","0.002","90","","977.79","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-Hydroxyphenyl)nicotinamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","CV5281","Ge, Chunhua; Zhang, Rui; Zhang, Xiangdong; Zhang, Chenglong; Zhang, Meiyin","N-(3-Hydroxyphenyl)nicotinamide","Acta Crystallographica Section E","2012","68","5","o1499","","10.1107/S1600536812015620","","","0.71073","MoKα","","0.0505","0.0396","","","0.0929","0.0977","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234573","13.2751","0.0003","8.5002","0.0002","13.9854","0.0003","90","","116.773","0.001","90","","1408.95","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(1E)-3-(2,6-Dichloro-3-fluorophenyl)-3-oxoprop-1-en-1-yl]benzonitrile","","- C16 H8 Cl2 F N O -","- C16 H8 Cl2 F N O -","- C64 H32 Cl8 F4 N4 O4 -","4","1","CV5282","Praveen, Aletti S.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-[(1E)-3-(2,6-Dichloro-3-fluorophenyl)-3-oxoprop-1-en-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","5","o1413","","10.1107/S1600536812015589","","","0.71073","MoKα","","0.0472","0.0374","","","0.0895","0.0975","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234574","8.3085","0.0017","13.604","0.003","12.185","0.002","90","","93.78","0.03","90","","1374.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocobaltate(II)","","- C8 H15 Cl4 Co N3 -","- C8 H15 Cl4 Co N3 -","- C32 H60 Cl16 Co4 N12 -","4","1","CV5283","Zhang, Yi; Zhu, Bo-Han","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","5","m665","","10.1107/S1600536812017187","","","0.71073","MoKα","","0.0528","0.0459","","","0.1312","0.1349","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234575","6.4274","0.0005","11.4727","0.0009","11.587","0.0009","113.51","0.006","94.721","0.006","94.837","0.006","774.4","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(Adamantan-1-yl)-3-(4-fluorophenyl)thiourea","","- C17 H21 F N2 S -","- C17 H21 F N2 S -","- C34 H42 F2 N4 S2 -","2","1","CV5285","Demirtaş, Güneş; Dege, Necmi; Al-Shehri, Mona M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Büyükgüngör, Orhan","1-(Adamantan-1-yl)-3-(4-fluorophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1523","","10.1107/S1600536812017515","","","0.71073","MoKα","","0.0723","0.0477","","","0.1084","0.1177","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234576","5.8884","0.0017","19.44","0.005","12.469","0.004","90","","100.614","0.004","90","","1402.9","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methyl 4-methylbenzenesulfonate","","- C12 H15 O7 P S -","- C12 H15 O7 P S -","- C48 H60 O28 P4 S4 -","4","1","CV5286","Hou, Xu-Feng; Yan, Jin-Long","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","5","o1473","","10.1107/S1600536812016674","","","0.71073","MoKα","","0.0407","0.0343","","","0.0919","0.095","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234577","14.396","0.003","10.941","0.002","18.093","0.004","90","","109.399","0.004","90","","2688","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobutanoyl)-3-(2-chlorophenyl)thiourea","","- C11 H12 Cl2 N2 O S -","- C11 H12 Cl2 N2 O S -","- C88 H96 Cl16 N16 O8 S8 -","8","2","CV5287","Yusof, M. Sukeri M.; Embong, Nur Farhana; Yamin, Bohari M.; Ngah, Nurziana","1-(4-Chlorobutanoyl)-3-(2-chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1536","","10.1107/S160053681201759X","","","0.71073","MoKα","","0.0502","0.0387","","","0.0992","0.109","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234578","17.527","0.004","9.6576","0.0019","14.237","0.003","90","","106.92","0.03","90","","2305.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,3-Dimethoxyphenyl)-1H-pyrrole-3-carbonitrile","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","2","CV5288","Chen, Qing-Hao; Meng, Fan-Wei; Dong, Gui-Jun; Wang, Xiao-Dan; Gao, Jin-Sheng","4-(2,3-Dimethoxyphenyl)-1H-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1567","","10.1107/S1600536812018302","","","0.71073","MoKα","","0.0601","0.045","","","0.1209","0.1287","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234579","10.21","0.002","20.364","0.005","12.171","0.003","90","","90.906","0.004","90","","2530.2","1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-2-Bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H- pyrazol-4-yl)iminomethyl]-6-methoxyphenyl 4-methylbenzenesulfonate","","- C26 H24 Br N3 O5 S -","- C26 H24 Br N3 O5 S -","- C104 H96 Br4 N12 O20 S4 -","4","1","DS2184","Duan, Zhong-Yu; Yang, Lin; Yang, Li-Ping; Liu, Xiu-Wu","(E)-2-Bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]-6-methoxyphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","5","o1335","","10.1107/S160053681201447X","","","0.71073","MoKα","","0.0338","0.0287","","","0.0692","0.0714","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234580","10.487","0.0003","10.9123","0.0003","12.9248","0.0003","90","","99.694","0.002","90","","1457.96","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[chloridodimethanol(μ~3~-pyridine-2,3-dicarboxylato)europium(III)] methanol monosolvate]","","- C10 H15 Cl Eu N O7 -","- C10 H15 Cl Eu N O7 -","- C40 H60 Cl4 Eu4 N4 O28 -","4","1","DS2185","Wu, Dayu; Chen, Liyang; Wu, Genhua","Poly[[chloridodimethanol(μ~3~-pyridine-2,3-dicarboxylato)europium(III)] methanol monosolvate]","Acta Crystallographica Section E","2012","68","5","m682","","10.1107/S1600536812017862","","","0.71073","MoKα","","0.0328","0.0262","","","0.0553","0.0573","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234581","5.778","0.003","6.354","0.003","10.013","0.005","102.295","0.005","93.861","0.005","97.781","0.005","354.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Cyclohexa-2,5-diene-1,4-dione‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","","- C12 H4 F4 I2 O2 -","- C12 H4 F4 I2 O2 -","- C12 H4 F4 I2 O2 -","1","0.5","DS2186","Liu, Peng; Ruan, Chuansheng; Li, Tiesheng; Ji, Baoming","Cyclohexa-2,5-diene-1,4-dione‒1,2,4,5-tetrafluoro-3,6-diiodobenzene (1/1)","Acta Crystallographica Section E","2012","68","5","o1431","","10.1107/S1600536812015930","","","0.71073","MoKα","","0.0406","0.0325","","","0.0801","0.0869","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234582","14.2445","0.0012","14.2445","0.0012","51.591","0.004","90","","90","","120","","9065.7","1.3","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triphenylphosphane-κP)silver(I) tetrafluoridoborate","","- C72 H60 Ag B F4 P4 -","- C72 H60 Ag B F3.96 P4 -","- C432 H360 Ag6 B6 F23.76 P24 -","6","0.333333","EZ2286","Huang, Xu; Qiu, Qi-Ming; Wang, Xin; Jin, Qiong-Hua; Zhang, Cun-Lin","Tetrakis(triphenylphosphane-κP)silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","5","m706","","10.1107/S1600536812018247","","","0.71073","MoKα","","0.1006","0.0627","","","0.1443","0.1603","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234583","7.6197","0.0015","11.671","0.002","18.473","0.004","90","","91.51","0.03","90","","1642.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyltriethylammonium tetrachloridoferrate(III)","","- C10 H24 Cl4 Fe N -","- C10 H24 Cl4 Fe N -","- C40 H96 Cl16 Fe4 N4 -","4","1","EZ2288","Jin, Lei; Li, Yong-Jun","Butyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","5","m656","","10.1107/S1600536812017047","","","0.71073","MoKα","","0.0695","0.0475","","","0.1083","0.1174","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234584","9.552","0.0009","10.2011","0.001","17.9656","0.0017","91.03","0.002","98.957","0.002","90.377","0.002","1728.9","0.3","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","N-(2,4-Dimethylphenyl)-2,2-diphenylacetamide","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","2","EZ2289","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(2,4-Dimethylphenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1316","o1317","10.1107/S1600536812014079","","","0.71073","MoKα","","0.0957","0.0847","","","0.252","0.2611","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234585","9.0177","0.0006","14.0654","0.0009","12.9008","0.0008","90","","111.768","0.002","90","","1519.63","0.17","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,4E)-2-Cyano-5-dipropylamino-N,N- dimethylpenta-2,4-dienamide","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","FB2241","Zhou, Xian-Feng; Du, Xiao-Hua","(2E,4E)-2-Cyano-5-dipropylamino-N,N-dimethylpenta-2,4-dienamide","Acta Crystallographica Section E","2012","68","5","o1311","","10.1107/S1600536812013797","","","0.71073","MoKα","","0.1049","0.044","","","0.0973","0.1151","","","","","","1.49","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234586","10.684","0.007","16.973","0.012","11.174","0.008","90","","101.49","0.009","90","","1986","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H- dibenzo[b,e][1,4]diazepin-1-one monohydrate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","FF2060","Fadare, Olatomide A.; Adelani, Pius O.; Ikotun, Adebomi A.; Obafemi, Craig A.","11-(4-Methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one monohydrate","Acta Crystallographica Section E","2012","68","5","o1508","o1509","10.1107/S1600536812016194","","","0.71073","MoKα","","0.1067","0.043","","","0.089","0.1058","","","","","","0.829","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234587","7.591","0.0015","18.436","0.004","12.162","0.002","90","","94.43","0.03","90","","1697","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","FF2061","Xing, Honglong; Tang, Fan; Wang, Wei","Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1430","","10.1107/S1600536812015656","","","0.71073","MoKα","","0.0888","0.0558","","","0.1552","0.1791","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234588","10.3665","0.0016","11.1585","0.0019","9.5248","0.0012","90","","90.257","0.001","90","","1101.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-[4-(Dimethylamino)benzylidene]-4H-1,2,4-triazol-4-amine","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","FF2062","Zhou, Hui-Liang; Zhang, Xiao-Min","N-[4-(Dimethylamino)benzylidene]-4H-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2012","68","5","o1343","","10.1107/S1600536812014511","","","0.71073","MoKα","","0.0791","0.0474","","","0.1078","0.1186","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234589","6.5617","0.0007","13.9716","0.0013","12.3351","0.0008","90","","96.466","0.007","90","","1123.66","0.18","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-(butane-1,4-diyl)bis[2-(pyridin-2-yl)-1H-benzimidazole]","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","0.5","FF2063","Zhou, Shao-Chuan; Xie, Hong-Zhen","1,1'-(Butane-1,4-diyl)bis[2-(pyridin-2-yl)-1H-benzimidazole]","Acta Crystallographica Section E","2012","68","5","o1434","","10.1107/S1600536812015899","","","0.71073","MoKα","","0.1521","0.0638","","","0.1142","0.1461","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234590","15.2667","0.0011","6.717","0.0004","30.8598","0.0016","90","","90","","90","","3164.6","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","","- C14 H12 Ag B F4 N2 O4 -","- C14 H12 Ag B F4 N2 O4 -","- C112 H96 Ag8 B8 F32 N16 O32 -","8","1","FF2064","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","Acta Crystallographica Section E","2012","68","5","m705","","10.1107/S1600536812018399","","","0.71073","MoKα","","0.1155","0.0578","","","0.121","0.1439","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234591","5.0739","0.001","8.993","0.0018","7.029","0.002","90","","123.6","0.02","90","","267.14","0.12","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trisodium scandium bis(orthoborate)","","- B2 Na3 O6 Sc -","- B2 Na3 O6 Sc -","- B4 Na6 O12 Sc2 -","2","0.5","FI2123","Fang, Jinzhi; Zhang, Xinyuan; Yao, Jiyong; Zhang, Guochun; Wang, Kunpeng","Trisodium scandium bis(orthoborate)","Acta Crystallographica Section E","2012","68","5","i36","","10.1107/S1600536812015061","","","0.71073","MoKα","","0.0319","0.0269","","","0.0653","0.0669","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234592","9.975","0.003","11.056","0.004","12.382","0.004","99.01","0.004","103.527","0.003","112.734","0.003","1177.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","3-[(8-Butoxyquinolin-2-yl)methyl]-1-(pyridin-2-ylmethyl)- 1H-imidazol-3-ium hexafluoridophosphate","","- C23 H25 F6 N4 O P -","- C23 H25 F6 N4 O P -","- C46 H50 F12 N8 O2 P2 -","2","1","FJ2531","Zhang, Ping; Jing, Jing; Qin, Da-Bin","3-[(8-Butoxyquinolin-2-yl)methyl]-1-(pyridin-2-ylmethyl)-1H-imidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","5","o1278","","10.1107/S1600536812013414","","","0.71073","MoKα","","0.0634","0.0376","","","0.0831","0.0874","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234593","24.301","0.005","8.2794","0.0017","14.069","0.003","90","","101.69","0.03","90","","2771.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquatrichlorido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane- κN^4^)copper(II) monohydrate","","- C8 H18 Cl3 Cu N3 O2 -","- C8 H18 Cl3 Cu N3 O2 -","- C64 H144 Cl24 Cu8 N24 O16 -","8","1","FJ2535","Zhou, Qinqin; Zhang, Yi","Aquatrichlorido(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κN^4^)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","5","m674","","10.1107/S1600536812017205","","","0.71073","MoKα","","0.0392","0.0359","","","0.091","0.0928","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234594","13.562","0.005","16.729","0.006","17.258","0.006","90","","90","","90","","3915","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- yl)(thiophen-2-yl)methylidene]benzohydrazide","","- C22 H18 N4 O2 S -","- C22 H18 N4 O2 S -","- C176 H144 N32 O16 S8 -","8","2","FJ2536","Zhu, Hualing; Zhu, Jinhua; Bu, Luxia; Shi, Jun; Wang, Juan","N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(thiophen-2-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1368","o1369","10.1107/S1600536812014821","","","0.71073","MoKα","","0.0647","0.0497","","","0.0939","0.103","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234595","4.6275","0.0007","6.5332","0.0011","31.856","0.005","90","","92.417","0.004","90","","962.2","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C42 H38 N6 O12 -","2","1","FJ2537","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","5","o1421","o1422","10.1107/S1600536812015401","","","0.71073","MoKα","","0.0317","0.0304","","","0.0857","0.0875","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234596","19.2249","0.0013","13.2036","0.0007","7.7468","0.0005","90","","101.079","0.007","90","","1929.8","0.2","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1H-1,2,4-triazol-4-ium-3-carboxylate","","- C9 H16 N13 O13 P -","- C9 H16 N13 O13 P -","- C36 H64 N52 O52 P4 -","4","1","FJ2538","Berrah, Fadila; Bouchene, Rafika; Bouacida, Sofiane; Daran, Jean-Claude","Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) dihydrogenphosphate nitrate 5-amino-1H-1,2,4-triazol-4-ium-3-carboxylate","Acta Crystallographica Section E","2012","68","5","o1333","o1334","10.1107/S1600536812014481","","","0.71073","MoKα","","0.0276","0.0268","","","0.0662","0.0672","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234597","10.2029","0.0003","15.4175","0.0003","8.04875","0.00019","90","","108.628","0.003","90","","1199.77","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis{[N,N-dimethyl-N'-(thiophen-2- ylmethylidene)ethane-1,2-diamine]copper(I)]}","","- C18 H28 Br2 Cu2 N4 S2 -","- C18 H28 Br2 Cu2 N4 S2 -","- C36 H56 Br4 Cu4 N8 S4 -","2","0.5","FJ2540","Goh, Christopher; Remillard, Zachary D.; Martinez, Andre P.; Keeley, Amanda C.; Jasinski, Jerry P.","Di-μ-bromido-bis{[N,N-dimethyl-N'-(thiophen-2-ylmethylidene)ethane-1,2-diamine]copper(I)]}","Acta Crystallographica Section E","2012","68","5","m691","m692","10.1107/S1600536812017989","","","0.71073","MoKα","","0.0555","0.0363","","","0.0702","0.0783","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234598","12.7631","0.0005","13.6077","0.0006","14.2614","0.0007","102.785","0.003","96.943","0.003","104.316","0.003","2299.68","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]","","- C49 H53 Cl Nd2 O17 -","- C39 H33 Cl Nd2 O12 -","- C78 H66 Cl2 Nd4 O24 -","2","1","FJ2541","Bertke, Jeffrey A.; Oliver, Allen G.; Henderson, Kenneth W.","catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]","Acta Crystallographica Section E","2012","68","5","m690","","10.1107/S1600536812017746","","","0.71073","MoKα","","0.0971","0.0517","","","0.1072","0.119","","","","","","0.896","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234599","8.2727","0.0011","24.579","0.003","9.3703","0.0014","90","","90","","90","","1905.3","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2- benzoxacyclotetradecine-1,7(8H)-dione monohydrate","","- C18 H26 O6 -","- C18 H26 O6 -","- C72 H104 O24 -","4","1","FJ2544","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3S)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione (zearalanone) monohydrate","Acta Crystallographica Section E","2012","68","5","o1577","","10.1107/S1600536812018168","","","0.71073","MoKα","","0.0886","0.0513","","","0.123","0.1339","","","","","","0.901","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234600","3.8949","0.0002","12.051","0.0005","21.991","0.0009","90","","90","","90","","1032.2","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-3-[(E)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C44 H40 Cl4 N12 O4 -","4","1","FJ2545","Bouacida, Sofiane; Bouraiou, Abdelmalek; Benhamoud, Nassima; Roisnel, Thierry; Belfaitah, Ali","2-Chloro-3-[(E)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","Acta Crystallographica Section E","2012","68","5","o1548","","10.1107/S1600536812017977","","","0.71073","MoKα","","0.0411","0.032","","","0.0712","0.0732","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234601","30.0601","0.0009","9.9321","0.0003","18.2054","0.0006","90","","90","","90","","5435.4","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","","- C64 H76 B2 N4 O2 -","- C64 H76 B2 N4 O2 -","- C256 H304 B8 N16 O8 -","4","1","FK2058","Tiritiris, Ioannis; Kantlehner, Willi","1,1,2,2-Tetrakis(dimethylamino)ethane-1,2-diium bis(tetraphenylborate) acetone disolvate","Acta Crystallographica Section E","2012","68","5","o1371","","10.1107/S1600536812015085","","","0.71073","MoKα","","0.0646","0.0455","","","0.1","0.1088","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234602","5.8479","0.0002","13.3438","0.0006","15.0883","0.0008","90","","90","","90","","1177.39","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-Methyl-3,4,5,6-tetrahydropyrimidin-2-one","1-Methyl-1,3-diazinan-2-one","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C40 H80 N16 O8 -","8","1","FK2059","Tiritiris, Ioannis; Kantlehner, Willi","1-Methyl-1,3-diazinan-2-one","Acta Crystallographica Section E","2012","68","5","o1478","","10.1107/S1600536812016522","","","0.71073","MoKα","","0.0486","0.0367","","","0.0858","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234603","15.762","0.003","8.1144","0.0016","16.015","0.003","90","","90","","90","","2048.3","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-Cyclopentylidenepyridine-4-carbohydrazide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","FY2050","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","N'-Cyclopentylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1299","","10.1107/S1600536812013815","","","0.71073","MoKα","","","0.0324","","","","0.0813","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234604","13.072","0.002","6.179","0.0011","17.979","0.003","90","","90","","90","","1452.2","0.4","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","FY2054","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5-Dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1410","","10.1107/S1600536812015450","","","0.71073","MoKα","","0.0449","0.0356","","","0.0842","0.0897","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234605","15.0055","0.0002","8.0884","0.0001","17.8088","0.0003","90","","90","","90","","2161.46","0.05","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","","- C10 H14 Cl N3 -","- C10 H14 Cl N3 -","- C80 H112 Cl8 N24 -","8","1","GK2441","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Kovačević, Goran; Bajić, Miroslav","2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","5","o1360","","10.1107/S1600536812014493","","","1.54184","CuKα","","","0.0314","","","","0.0984","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234606","7.1894","0.0014","32.38","0.007","17.319","0.004","90","","100.4","0.03","90","","3965.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ-4,4'-bipyridine-κ^2^N:N')copper(I)] perchlorate 0.24-hydrate]","","- C20 H16.48 Cl Cu N4 O4.24 -","- C20 H16 Cl Cu N4 O4.24 -","- C160 H128 Cl8 Cu8 N32 O33.92 -","8","2","GK2464","Zhang, Chun-Yan; Yao, Xue-Jun; Wang, Run-Ling; Xie, Cheng-Zhi","Poly[[bis(μ-4,4'-bipyridine-κ^2^N:N')copper(I)] perchlorate 0.24-hydrate]","Acta Crystallographica Section E","2012","68","5","m660","m661","10.1107/S1600536812017266","","","0.71073","MoKα","","0.1044","0.07","","","0.1769","0.2009","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234607","11.9282","0.0013","8.3715","0.0009","13.1421","0.0014","90","","113.138","0.002","90","","1206.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridin-1-ium 3-carboxybenzoate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","GK2468","Campos-Gaxiola, Jose J.; Hernández-Ortega, Simón; Morales-Morales, David; Cruz Enríquez, Adriana","3-Aminopyridin-1-ium 3-carboxybenzoate","Acta Crystallographica Section E","2012","68","5","o1444","","10.1107/S1600536812016108","","","0.71073","MoKα","","0.0713","0.0553","","","0.1441","0.1538","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234608","9.2133","0.0017","11.611","0.002","12.473","0.002","87.714","0.007","83.297","0.006","89.576","0.007","1324.1","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-2,6-bis(1H-indol-3-yl)-1,4-dihydropyridine- 3,5-dicarbonitrile ethanol monosolvate","","- C31 H24 Cl N5 O -","- C31 H24 Cl N5 O -","- C62 H48 Cl2 N10 O2 -","2","1","GK2473","Zhu, Song-Lei; Zheng, Jun-Nian","4-(4-Chlorophenyl)-2,6-bis(1H-indol-3-yl)-1,4-dihydropyridine-3,5-dicarbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1300","o1301","10.1107/S1600536812013906","","","0.7107","MoKα","","0.0658","0.0537","","","0.1123","0.1188","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234609","7.6209","0.0015","10.393","0.002","13.093","0.003","90","","97.63","0.03","90","","1027.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Nitro-2-trifluoromethyl-1H-benzimidazole monohydrate","","- C8 H6 F3 N3 O3 -","- C8 H6 F3 N3 O3 -","- C32 H24 F12 N12 O12 -","4","1","GO2048","Liu, Ming-Liang","5-Nitro-2-trifluoromethyl-1H-benzimidazole monohydrate","Acta Crystallographica Section E","2012","68","5","o1487","","10.1107/S1600536812017060","","","0.71073","MoKα","","0.1073","0.0712","","","0.1964","0.2208","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234610","8.3761","0.0009","8.5438","0.0009","9.1083","0.001","88.832","0.002","75.376","0.001","65.17","0.001","569.67","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-(Ethylsulfinyl)imidazo[1,2-a]pyridine-3-sulfonamide","","- C9 H11 N3 O3 S2 -","- C9 H11 N3 O3 S2 -","- C18 H22 N6 O6 S4 -","2","1","GO2050","Gong, Yaling; Ma, Haixia; Li, Jing","2-(Ethylsulfinyl)imidazo[1,2-a]pyridine-3-sulfonamide","Acta Crystallographica Section E","2012","68","5","o1342","","10.1107/S1600536812013992","","","0.71073","MoKα","","0.0297","0.0259","","","0.0654","0.0677","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234611","6.9041","0.0006","11.8791","0.0007","14.0282","0.0011","90","","101.6","0.007","90","","1127.02","0.15","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","GO2051","Aazam, Elham S.; Büyükgüngör, Orhan","2-Amino-3-[(E)-(2-hydroxy-3-methylbenzylidene)amino]but-2-enedinitrile","Acta Crystallographica Section E","2012","68","5","o1406","","10.1107/S1600536812015243","","","0.71073","MoKα","","0.0929","0.0586","","","0.1195","0.1324","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234612","11.859","0.002","7.2154","0.0014","19.508","0.004","90","","90","","90","","1669.2","0.5","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Trifluoromethyl-1H-benzimidazole","","- C8 H5 F3 N2 -","- C8 H5 F3 N2 -","- C64 H40 F24 N16 -","8","1","GO2052","Liu, Ming-Liang","2-Trifluoromethyl-1H-benzimidazole","Acta Crystallographica Section E","2012","68","5","o1518","","10.1107/S1600536812017357","","","0.71073","MoKα","","0.1127","0.0707","","","0.1467","0.1676","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234613","9.264","0.002","8.756","0.002","13.549","0.003","90","","108.835","0.002","90","","1040.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Diiodo-3-nitroanisole","1,3-diiodo-4-methoxy-2-nitrobenzene","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C28 H20 I8 N4 O12 -","4","1","HB6662","Li, Xianfei; Cao, Lei; Ruan, Chuansheng; Ji, Baoming; Zhou, Le","2,4-Diiodo-3-nitroanisole","Acta Crystallographica Section E","2012","68","5","o1500","","10.1107/S160053681200952X","","","0.71073","MoKα","","0.032","0.027","","","0.0622","0.0652","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234614","10.1768","0.0008","23.6035","0.0018","7.9994","0.0007","90","","109.134","0.003","90","","1815.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-1- yl]ethanone","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","HB6687","Zhang, Shi-Lu; Huang, Kun; Qin, Da-Bin","1-[3-(Anthracen-9-yl)-5-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","5","o1370","","10.1107/S160053681201505X","","","0.7107","MoKα","","0.0466","0.0399","","","0.0972","0.102","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234615","8.4295","0.0018","9.924","0.002","15.351","0.004","90","","90","","90","","1284.2","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(1H-benzimidazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","HB6688","Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang","2,2'-(Ethane-1,2-diyl)bis(1H-benzimidazole)","Acta Crystallographica Section E","2012","68","5","o1321","","10.1107/S1600536812013839","","","0.71073","MoKα","","","0.0445","","","0.1055","0.1215","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234616","14.9237","0.0005","10.5064","0.0003","24.6015","0.0007","90","","93.116","0.001","90","","3851.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6,8-Tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one O-benzyloxime acetone monosolvate","","- C41 H37 Cl4 N3 O2 -","- C41 H37 Cl4 N3 O2 -","- C164 H148 Cl16 N12 O8 -","4","1","HB6689","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4,6,8-Tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one O-benzyloxime acetone monosolvate","Acta Crystallographica Section E","2012","68","5","o1481","","10.1107/S1600536812016509","","","0.71073","MoKα","","0.109","0.062","","","0.1581","0.188","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234617","11.572","0.002","22.82","0.005","8.5426","0.0017","90","","117.03","0.03","90","","2009.5","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(cyclohexylammonium) terephthalate","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C80 H128 N8 O16 -","4","1","HB6690","Han, Meng Ting","Bis(cyclohexylammonium) terephthalate","Acta Crystallographica Section E","2012","68","5","o1579","","10.1107/S1600536812017035","","","0.71073","MoKα","","0.1798","0.084","","","0.139","0.1708","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234618","14.465","0.01","15.83","0.01","6.99","0.005","90","","90","","90","","1600.6","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[[diaquabis(2-ethyl-1H-imidazole- κN^3^)cadmium]-μ-sulfato-κ^2^O:O']","","- C10 H20 Cd N4 O6 S -","- C10 H20 Cd N4 O6 S -","- C40 H80 Cd4 N16 O24 S4 -","4","0.5","HB6691","Yu, Chua-Hua","catena-Poly[[diaquabis(2-ethyl-1H-imidazole-κN^3^)cadmium]-μ-sulfato-κ^2^O:O']","Acta Crystallographica Section E","2012","68","5","m655","","10.1107/S1600536812017059","","","0.71073","MoKα","","0.0394","0.035","","","0.0789","0.0815","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234619","14.9566","0.0018","11.1123","0.0016","19.351","0.002","90","","90","","90","","3216.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C128 H136 F8 N16 O32 -","8","1","HB6695","Zong, Qian-Shou","N'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1338","","10.1107/S1600536812012196","","","0.71073","MoKα","","0.0608","0.0431","","","0.1286","0.1613","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234620","22.4861","0.0006","6.9006","0.0002","28.6933","0.0008","90","","101.286","0.002","90","","4366.2","0.2","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2E)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''- terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Br F2 O2 -","- C28 H19 Br F2 O2 -","- C224 H152 Br8 F16 O16 -","8","1","HB6704","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2E)-3-(2-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1314","o1315","10.1107/S1600536812013852","","","0.71073","MoKα","","0.1141","0.071","","","0.1227","0.1344","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234621","7.6776","0.0004","12.7671","0.0007","9.813","0.0004","90","","124.432","0.003","90","","793.35","0.07","100","1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Chloro-4-fluorophenyl)acetamide","","- C8 H7 Cl F N O -","- C8 H7 Cl F N O -","- C32 H28 Cl4 F4 N4 O4 -","4","1","HB6705","Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","N-(3-Chloro-4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","5","o1348","","10.1107/S160053681201416X","","","0.71073","MoKα","","0.0613","0.0471","","","0.1317","0.1434","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234622","9.6192","0.0019","11.127","0.002","26.574","0.005","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-N-p-tolylpiperidine-1-carboxamide","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C112 H160 N16 O8 -","8","1","HB6706","Li, Yu-Feng","4-Methyl-N-p-tolylpiperidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1472","","10.1107/S1600536812016248","","","0.71073","MoKα","","0.146","0.072","","","0.1765","0.2203","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234623","10.7181","0.0004","6.4826","0.0002","18.7076","0.0007","90","","96.773","0.003","90","","1290.75","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1H-1,2,3-Benzotriazol-1-yl)methyl benzoate","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","HB6707","Guo, Ting; Cao, Gang; Xu, Sen","(1H-1,2,3-Benzotriazol-1-yl)methyl benzoate","Acta Crystallographica Section E","2012","68","5","o1409","","10.1107/S1600536812015140","","","0.71073","MoKα","","0.1119","0.0597","","","0.1314","0.162","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234624","7.7967","0.0017","8.4205","0.0019","19.138","0.004","90","","99.78","0.004","90","","1238.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-4-[(E)-(4-fluorobenzylidene)amino]-1H-1,2,4-triazole- 5(4H)-thione","","- C11 H11 F N4 S -","- C11 H11 F N4 S -","- C44 H44 F4 N16 S4 -","4","1","HB6709","Jeyaseelan, S.; Devarajegowda, H. C.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","3-Ethyl-4-[(E)-(4-fluorobenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","5","o1407","","10.1107/S1600536812015346","","","0.71073","MoKα","","0.0697","0.0453","","","0.1046","0.1148","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234625","9.742","0.0019","15.304","0.003","18.302","0.005","90","","116.01","0.02","90","","2452.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Methanol-κO){1-[2-(piperazin-4-ium-1-yl- κN^1^)ethyliminomethyl-κN]naphthalen-2-olato- κO}bis(thiocyanato-κN)nickel(II) methanol monosolvate","","- C21 H29 N5 Ni O3 S2 -","- C21 H29 N5 Ni O3 S2 -","- C84 H116 N20 Ni4 O12 S8 -","4","1","HB6710","Li, Pin-Ai","(Methanol-κO){1-[2-(piperazin-4-ium-1-yl-κN^1^)ethyliminomethyl-κN]naphthalen-2-olato-κO}bis(thiocyanato-κN)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2012","68","5","m549","","10.1107/S1600536812013773","","","0.71073","MoKα","","0.1661","0.092","","","0.1799","0.2091","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234626","8.495","0.0004","13.756","0.0005","7.6677","0.0003","90","","113.214","0.001","90","","823.48","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihydro-1λ^6^,2-benzothiazine-1,1,4-trione","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C32 H28 N4 O12 S4 -","4","1","HB6713","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,3-Dihydro-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","5","o1306","","10.1107/S1600536812013827","","","0.71073","MoKα","","0.0435","0.0358","","","0.0928","0.0978","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234627","9.977","0.002","11.715","0.002","11.734","0.002","65.28","0.03","77.52","0.03","77.15","0.03","1202.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato- κ^2^O,O')(2,2'-bipyridyl-κ^2^N,N')cadmium]- μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^N^1^:O,O']","","- C26 H18 Cd N6 O4 S2 -","- C26 H18 Cd N6 O4 S2 -","- C52 H36 Cd2 N12 O8 S4 -","2","1","HB6715","Gao, Dan; Fang, Xin; Zhang, Ke-Ke; Cai, Li-Mao; Wang, Jun-Dong","catena-Poly[[(2-amino-1,3-benzothiazole-6-carboxylato-κ^2^O,O')(2,2'-bipyridyl-κ^2^N,N')cadmium]-μ-2-amino-1,3-benzothiazole-6-carboxylato-κ^3^N^1^:O,O']","Acta Crystallographica Section E","2012","68","5","m641","m642","10.1107/S160053681201642X","","","0.71073","MoKα","","0.0437","0.0398","","","0.0853","0.0877","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234628","9.5151","0.0003","23.7391","0.0009","12.155","0.0004","90","","96.209","0.001","90","","2729.46","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[5-chloro-2-(phenyldiazenyl-κN^2^)pyridine- κN]bis(thiocyanato-κN)iron(II)","","- C24 H16 Cl2 Fe N8 S2 -","- C24 H16 Cl2 Fe N8 S2 -","- C96 H64 Cl8 Fe4 N32 S8 -","4","1","HB6716","Vittaya, Luksamee; Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Hansongnern, Kanidtha","Bis[5-chloro-2-(phenyldiazenyl-κN^2^)pyridine-κN]bis(thiocyanato-κN)iron(II)","Acta Crystallographica Section E","2012","68","5","m555","m556","10.1107/S1600536812014286","","","0.71073","MoKα","","0.0497","0.0431","","","0.1053","0.1099","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234629","8.1382","0.0016","6.3666","0.0013","15.758","0.003","90","","99.55","0.03","90","","805.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate","","- C6 H20 F12 N2 O2 P2 -","- C6 H20 F12 N2 O2 P2 -","- C12 H40 F24 N4 O4 P4 -","2","0.5","HB6717","Sun, Su-Wen","1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate","Acta Crystallographica Section E","2012","68","5","o1514","","10.1107/S1600536812017229","","","0.71073","MoKα","","0.1223","0.0675","","","0.1376","0.1632","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234630","5.5781","0.0011","12.931","0.003","9.81","0.002","90","","97.69","0.03","90","","701.2","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl- 1H-1,2,4-triazole-5(4H)-thione-κ^2^S:S]]","","- C3 H5 Br Cu N3 S -","- C3 H5 Br Cu N3 S -","- C12 H20 Br4 Cu4 N12 S4 -","4","1","HB6718","Saithong, Saowanit; Charmant, Jonathan; Pakawatchai, Chaveng","catena-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl-1H-1,2,4-triazole-5(4H)-thione-κ^2^S:S]]","Acta Crystallographica Section E","2012","68","5","m565","m566","10.1107/S1600536812014444","","","0.71074","MoKα","","0.0298","0.0268","","","0.0552","0.0563","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234631","18.0371","0.0007","12.0249","0.0004","7.843","0.0002","90","","90","","90","","1701.1","0.1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","","- C17 H18 N2 O5 S -","- C17 H18 N2 O5 S -","- C68 H72 N8 O20 S4 -","4","1","HB6720","Mustafa, Ghulam; Khan, Islam Ullah; Khan, Farhan Mehmood; Akkurt, Mehmet","2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid","Acta Crystallographica Section E","2012","68","5","o1305","","10.1107/S1600536812013864","","","0.71073","MoKα","","0.0426","0.0348","","","0.0885","0.0927","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234632","13.3212","0.0004","8.9093","0.0003","16.067","0.0005","90","","104.385","0.001","90","","1847.09","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium hydrogen phenylphosphonate","","- C18 H30 N O3 P -","- C18 H30 N O3 P -","- C72 H120 N4 O12 P4 -","4","1","HB6721","Diop, Tidiane; Diop, Libasse; Maris, Thierry; Stoeckli-Evans, Helen","Dicyclohexylammonium hydrogen phenylphosphonate","Acta Crystallographica Section E","2012","68","5","o1432","","10.1107/S160053681201553X","","","1.54178","CuKα","","0.038","0.0355","","","0.0953","0.0976","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234633","7.6372","0.0015","10.318","0.002","11.185","0.002","76.7","0.03","72.22","0.03","85.57","0.03","816.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Butyltriethylammonium di-μ-bromido-bis[dibromidomercurate(II)]","","- C20 H48 Br6 Hg2 N2 -","- C20 H48 Br6 Hg2 N2 -","- C20 H48 Br6 Hg2 N2 -","1","0.5","HB6722","Jin, Lei","Bis(butyltriethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]","Acta Crystallographica Section E","2012","68","5","m657","","10.1107/S1600536812017011","","","0.71073","MoKα","","0.0733","0.0558","","","0.1408","0.1506","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234634","7.8909","0.0016","11.153","0.002","14.709","0.003","90","","92","0.03","90","","1293.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(E)-4-Amino-N'-(3-nitrobenzylidene)benzohydrazide","(E)-4-Amino-N'-(3-nitrobenzylidene)benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","HB6724","Xu, Shu-Qing","(E)-4-Amino-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1320","","10.1107/S1600536812014110","","","0.71073","MoKα","","0.0623","0.0573","","","0.1564","0.161","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234635","7.5725","0.0015","13.339","0.003","18.881","0.005","90","","113.42","0.03","90","","1750","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aquabis(1H-imidazole-κN^3^)copper(II)]- μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] trihydrate]","","- C12 H18 Cu N4 O9 -","- C12 H18 Cu N4 O9 -","- C48 H72 Cu4 N16 O36 -","4","1","HB6727","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan; Gao, Yue","catena-Poly[[[aquabis(1H-imidazole-κN^3^)copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] trihydrate]","Acta Crystallographica Section E","2012","68","5","m659","","10.1107/S1600536812016856","","","0.71073","MoKα","","0.0452","0.0333","","","0.0808","0.0835","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234636","15.9625","0.0007","10.97","0.0005","21.6801","0.0009","90","","94.104","0.001","90","","3786.6","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dipotassium tetrakis(thiocyanato-κS)palladate(II)‒ (2,2'-bipyrimidine-κ^2^N^1^,N^1'^)bis(thiocyanato- κS)palladium(II) (1/2)","","- C24 H12 K2 N16 Pd3 S8 -","- C24 H12 K2 N16 Pd3 S8 -","- C96 H48 K8 N64 Pd12 S32 -","4","1","HB6728","Ha, Kwang","Dipotassium tetrakis(thiocyanato-κS)palladate(II)‒(2,2'-bipyrimidine-κ^2^N^1^,N^1'^)bis(thiocyanato-κS)palladium(II) (1/2)","Acta Crystallographica Section E","2012","68","5","m616","m617","10.1107/S1600536812015383","","","0.71073","MoKα","","0.0462","0.03","","","0.0688","0.0795","","","","","","1.079","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234637","9.019","0.002","18.427","0.004","9.658","0.002","90","","110.14","0.04","90","","1506.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-Dichloridobis[diphenyl(thiophen-2-yl)phosphane- κP]palladium(II)","","- C32 H26 Cl2 P2 Pd S2 -","- C32 H26 Cl2 P2 Pd S2 -","- C64 H52 Cl4 P4 Pd2 S4 -","2","0.5","HB6729","Burgoyne, Andrew R.; Meijboom, Reinout; Chiririwa, Haleden; Kirsten, Leo","trans-Dichloridobis[diphenyl(thiophen-2-yl)phosphane-κP]palladium(II)","Acta Crystallographica Section E","2012","68","5","m588","","10.1107/S160053681201478X","","","0.71073","MoKα","","0.0525","0.0507","","","0.1099","0.1113","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234638","12.1626","0.0016","12.2384","0.0016","27.778","0.004","80.388","0.002","84.699","0.002","87.431","0.002","4057.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Benzyl-N,N-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato- κ^2^S^4^,S^5^)nickelate(III)","","- C33 H50 N Ni S10 -","- C33 H50 N Ni S10 -","- C132 H200 N4 Ni4 S40 -","4","2","HB6730","Liu, Guang-Xiang","N-Benzyl-N,N-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickelate(III)","Acta Crystallographica Section E","2012","68","5","m678","","10.1107/S1600536812016698","","","0.71073","MoKα","","0.1045","0.0476","","","0.1009","0.1276","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234639","13.1918","0.0013","4.7199","0.0005","24.878","0.002","90","","103.127","0.003","90","","1508.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,6-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","HB6731","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(2,6-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","5","o1385","","10.1107/S1600536812014869","","","0.71073","MoKα","","0.0989","0.0682","","","0.1535","0.1681","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234640","9.8299","0.0009","15.3823","0.0014","12.0833","0.001","90","","108.717","0.004","90","","1730.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one","","- C21 H23 N O S -","- C21 H23 N O S -","- C84 H92 N4 O4 S4 -","4","1","HB6732","Fun, Hoong-Kun; Chia, Tze Shyang; Shanmugavelan, Poovan; Ponnuswamy, Alagusundaram","4-Benzyl-8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one","Acta Crystallographica Section E","2012","68","5","o1438","","10.1107/S1600536812015358","","","0.71073","MoKα","","0.1164","0.0617","","","0.1219","0.1446","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234641","6.3166","0.0013","15.149","0.003","17.293","0.004","90","","92.55","0.03","90","","1653.1","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethyl(3-oxo-3-phenylpropyl)azanium tetrachloridoferrate(III)","","- C11 H16 Cl4 Fe N O -","- C11 H16 Cl4 Fe N O -","- C44 H64 Cl16 Fe4 N4 O4 -","4","1","HB6733","Jin, Lei","Dimethyl(3-oxo-3-phenylpropyl)azanium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","5","m709","","10.1107/S1600536812018600","","","0.71073","MoKα","","0.1259","0.0711","","","0.1544","0.1724","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234642","5.9082","0.0005","18.8626","0.0015","9.0088","0.0007","90","","91.867","0.002","90","","1003.44","0.14","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,R)-4,4'-dibromo-2,2'- [cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","1","HB6734","Ha, Kwang","A monoclinic polymorph of (R,R)-4,4'-dibromo-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","5","o1449","","10.1107/S1600536812016376","","","0.71073","MoKα","","0.0765","0.039","","","0.0814","0.1083","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234643","7.3925","0.0018","8.3419","0.0019","25.626","0.006","90.226","0.006","92.753","0.006","114.409","0.006","1436.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(E)-Oxido(pyridin-2-ylmethylidene)amine- κ^2^N,N'][(E)-N-(pyridin-2- ylmethylidene)hydroxylamine-κ^2^N,N']silver(I) perchlorate‒ bis[(E)-N-(pyridin-2-ylmethylidene)hydroxylamine- κ^2^N,N']silver(I) (1/1)","","- C24 H23 Ag2 Cl N8 O8 -","- C24 H23 Ag2 Cl N8 O8 -","- C48 H46 Ag4 Cl2 N16 O16 -","2","1","HB6736","Xu, Jing; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","[(E)-Oxido(pyridin-2-ylmethylidene)amine-κ^2^N,N'][(E)-N-(pyridin-2-ylmethylidene)hydroxylamine-κ^2^N,N']silver(I) perchlorate‒bis[(E)-N-(pyridin-2-ylmethylidene)hydroxylamine-κ^2^N,N']silver(I) (1/1)","Acta Crystallographica Section E","2012","68","5","m639","m640","10.1107/S160053681201625X","","","0.71073","MoKα","","0.0767","0.0589","","","0.1571","0.1869","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234644","7.4663","0.0004","15.0789","0.0013","19.7266","0.0012","109.016","0.007","90.949","0.005","93.717","0.006","2093.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine","","- C27 H27 N3 -","- C27 H27 N3 -","- C108 H108 N12 -","4","2","HB6737","Huang, Jin-Sheng; Li, Mao-Kui; Yang, Yang-Yi; Ng, Seik Weng; Tiekink, Edward R. T.","2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine","Acta Crystallographica Section E","2012","68","5","o1463","o1464","10.1107/S1600536812016261","","","0.71073","MoKα","","0.147","0.0854","","","0.1844","0.2216","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234645","17.0029","0.0007","8.0198","0.0003","19.6532","0.0007","90","","90","","90","","2679.91","0.18","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","","- C12 H18.5 Cu N2 O2.25 -","- C12 H18.5 Cu N2 O2.25 -","- C96 H148 Cu8 N16 O18 -","8","1","HB6739","Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Hussain, Ajaz; Ahmed, Waseem; Arshad, Muhammad Nadeem","[4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2-olato)]copper(II) 0.25-hydrate","Acta Crystallographica Section E","2012","68","5","m670","","10.1107/S1600536812017102","","","0.71073","MoKα","","0.1273","0.0604","","","0.147","0.1901","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234646","3.9829","0.0008","9.095","0.0019","12.122","0.003","90","","95.162","0.009","90","","437.33","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 5-bromo-2-hydroxybenzoate","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C16 H14 Br2 O6 -","2","1","HB6740","Mustafa, Ghulam; Khan, Islam Ullah; Ashiq, Muhammad Zar; Akkurt, Mehmet","Methyl 5-bromo-2-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1467","","10.1107/S1600536812016297","","","0.71073","MoKα","","0.0879","0.0584","","","0.127","0.1423","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234647","4.9046","0.0003","19.1113","0.0012","12.9469","0.0009","90","","91.565","0.005","90","","1213.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C48 H32 Cl8 N8 O8 -","4","1","HB6741","Xu, Jun","N'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1455","","10.1107/S160053681201639X","","","0.71073","MoKα","","0.0795","0.047","","","0.1065","0.1264","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234648","9.4305","0.0005","13.9334","0.0008","25.6417","0.0014","90","","90","","90","","3369.3","0.3","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C144 H128 Cl16 O32 -","8","1","HB6742","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(2E)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1465","","10.1107/S1600536812016339","","","0.71073","MoKα","","0.0345","0.0299","","","0.0831","0.0863","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234649","7.3199","0.0004","11.6311","0.0006","45.875","0.002","90","","90","","90","","3905.7","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylbenzoic acid‒N'-[(E)-4-methylbenzylidene]pyridine-4-carbohydrazide‒ water (1/1/1)","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C176 H184 N24 O32 -","8","1","HB6743","Fun, Hoong-Kun; Ooi, Chin Wei; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","4-Methylbenzoic acid‒N'-[(E)-4-methylbenzylidene]pyridine-4-carbohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","o1492","","10.1107/S1600536812016868","","","0.71073","MoKα","","0.0489","0.0403","","","0.1013","0.1077","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234650","4.1992","0.0001","11.6081","0.0003","22.1035","0.0006","90","","94.815","0.001","90","","1073.63","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Nitrophenylcarbamothioyl)acetamide","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","1","HB6744","Shahwar, Durre; Tahir, M. Nawaz; Chohan, Muhammad Mansha; Khan, Muhammad Akmal; Ahmad, Nadeem","N-(2-Nitrophenylcarbamothioyl)acetamide","Acta Crystallographica Section E","2012","68","5","o1578","","10.1107/S1600536812016947","","","0.71073","MoKα","","0.0594","0.0387","","","0.0931","0.1051","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234651","7.2545","0.0015","13.847","0.003","6.9975","0.0014","90","","115.46","0.03","90","","634.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(1H-imidazol-3-ium-4,5-dicarboxylato- κ^2^O^4^,O^5^)magnesium","","- C10 H10 Mg N4 O10 -","- C10 H10 Mg N4 O10 -","- C20 H20 Mg2 N8 O20 -","2","0.5","HB6745","Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","trans-Diaquabis(1H imidazolium-4,5-dicarboxylato-κ^2^O^4^,O^5^)magnesium","Acta Crystallographica Section E","2012","68","5","m688","","10.1107/S1600536812017667","","","0.71073","MoKα","","0.0508","0.0328","","","0.0904","0.1007","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234652","6.6983","0.0007","10.1497","0.0011","13.2082","0.0014","90.172","0.007","91.097","0.007","99.251","0.007","886.11","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^3^O^2^,O^3^,O^7^)zincate hexahydrate","","- C30 H42 N4 O16 S2 Zn -","- C30 H42 N4 O16 S2 Zn -","- C30 H42 N4 O16 S2 Zn -","1","0.5","HB6746","Zhang, Fan; Lv, Tian-Xi; Feng, Jie; Lin, Qiu-Yue","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^O^2^,O^3^,O^7^)zincate hexahydrate","Acta Crystallographica Section E","2012","68","5","m684","","10.1107/S1600536812017886","","","0.71073","MoKα","","","0.0468","","","0.0728","0.0873","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234653","17.8","0.002","10.5804","0.0013","18.107","0.002","90","","118.374","0.001","90","","3000.4","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido[N,N'-dibenzyl-N,N'-bis(pyridin-2- ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate","","- C29 H34 Cl2 Cu N4 O5 -","- C29 H34 Cl2 Cu N4 O5 -","- C116 H136 Cl8 Cu4 N16 O20 -","4","1","HB6747","Song, Hui-Ting; Mao, Jia-Wei; Liu, Ming; Pan, Zhi-Quan","Chlorido[N,N'-dibenzyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate","Acta Crystallographica Section E","2012","68","5","m694","m695","10.1107/S1600536812017941","","","0.71073","MoKα","","0.0614","0.0474","","","0.1069","0.1099","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234654","21.2454","0.0015","13.2363","0.0007","12.1954","0.0007","90","","90","","90","","3429.5","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Phenyl-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","1","HB6748","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1551","","10.1107/S1600536812018065","","","0.71073","MoKα","","0.0907","0.0441","","","0.0916","0.1132","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234655","8.0436","0.0009","21.775","0.002","12.8809","0.0011","90","","125.613","0.005","90","","1834.1","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-(2-Bromophenyl)-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H15 Br O4 -","- C22 H15 Br O4 -","- C88 H60 Br4 O16 -","4","1","HB6749","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1552","","10.1107/S1600536812018053","","","0.71073","MoKα","","0.0748","0.039","","","0.0892","0.1021","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234656","6.7223","0.0002","8.0369","0.0002","15.4101","0.0005","75.32","0.002","88.482","0.001","78.842","0.001","789.93","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(6-Methoxy-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C32 H34 N2 O6 S4 -","2","1","HB6751","Mahabaleshwaraiah, N. M.; Kumar, K. Mahesh; Kotresh, O.; Al-eryani, Waleed Fadl Ali; Devarajegowda, H. C.","(6-Methoxy-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","5","o1566","","10.1107/S1600536812017953","","","0.71073","MoKα","","0.0504","0.0453","","","0.1243","0.128","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234657","8.0504","0.0003","9.6941","0.0004","11.1893","0.0004","106.426","0.001","91.798","0.001","98.606","0.001","825.65","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Dimethyl 1-(3-hydroxy-2-iodo-1-phenylpropyl)-1H-1,2,3-triazole-4,5-dicarboxylate","","- C15 H16 I N3 O5 -","- C15 H16 I N3 O5 -","- C30 H32 I2 N6 O10 -","2","1","HB6752","Fun, Hoong-Kun; Chia, Tze Shyang; Archana, Sivasubramanian; Dinesh, Murugan; Ponnuswamy, Alagusundaram","Dimethyl 1-(3-hydroxy-2-iodo-1-phenylpropyl)-1H-1,2,3-triazole-4,5-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1559","","10.1107/S1600536812018193","","","0.71073","MoKα","","0.0151","0.0147","","","0.038","0.0382","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234658","8.9624","0.0005","10.2127","0.0006","13.3281","0.0007","67.78","0.001","86.776","0.001","85.293","0.001","1125.1","0.11","100","1","100","","","","","","","","","4","P -1","-P 1","2","","(2E)- 1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- (2,6-difluorophenyl)prop-2-en-1-one","","- C28 H18 F4 O2 -","- C28 H18 F4 O2 -","- C56 H36 F8 O4 -","2","1","HB6753","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2,6-difluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1560","o1561","10.1107/S160053681201820X","","","0.71073","MoKα","","0.0652","0.0462","","","0.1281","0.1435","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234659","7.7975","0.0011","13.638","0.002","24.854","0.004","90","","90","","90","","2643","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^N,N',O]copper(II)","","- C13 H10 Cl2 Cu N2 O -","- C13 H10 Cl2 Cu N2 O -","- C104 H80 Cl16 Cu8 N16 O8 -","8","1","HG5195","Wang, Haixia; Lang, Yuehe; Wang, Shaohong","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^N,N',O]copper(II)","Acta Crystallographica Section E","2012","68","5","m540","","10.1107/S1600536812013359","","","0.71073","MoKα","","0.0684","0.0381","","","0.0825","0.0975","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234660","8.576","0.004","10.735","0.004","13.438","0.006","73.752","0.009","86.085","0.009","71.886","0.008","1128.6","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazoniacyclotetradeca-4,11-diene dichloride trihydrate","","- C16 H40 Cl2 N4 O3 -","- C16 H40 Cl2 N4 O3 -","- C32 H80 Cl4 N8 O6 -","2","1","HG5196","Ismail, Wafiuddin; Yamin, Bohari M.; Daran, Jean-Claude","5,5,7,12,14,14-Hexamethyl-1,8-diaza-4,11-diazoniacyclotetradeca-4,11-diene dichloride trihydrate","Acta Crystallographica Section E","2012","68","5","o1476","o1477","10.1107/S1600536812016649","","","0.71073","MoKα","","0.082","0.0546","","","0.1223","0.1358","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234661","7.2576","0.0015","12.008","0.002","11.917","0.002","90","","97.76","0.03","90","","1029","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Diaquabis[5-(pyridine-3-carboxamido)tetrazolido- κ^2^O,N^1^]zinc dihydrate","","- C14 H18 N12 O6 Zn -","- C14 H18 N12 O6 Zn -","- C28 H36 N24 O12 Zn2 -","2","0.5","HG5200","Li, Fang; Ou, Xiang-Ping; Huang, Chang-Cang","trans-Diaquabis[5-(pyridine-3-carboxamido)tetrazolido-κ^2^O,N^1^]zinc dihydrate","Acta Crystallographica Section E","2012","68","5","m653","m654","10.1107/S1600536812014997","","","0.71073","MoKα","","0.0507","0.0451","","","0.0969","0.0996","","","","","","1.188","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234662","11.297","0.0006","6.6094","0.0003","11.248","0.0006","90","","97.243","0.005","90","","833.15","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine","","- C7 H7 N3 S2 -","- C7 H7 N3 S2 -","- C28 H28 N12 S8 -","4","1","HG5202","Köysal, Yavuz; Deniz, Sadık; Butcher, Ray J.; Öztürk Yildirim, Sema; Jasinski, Jerry P.; Keeley, Amanda C.","5-(Thiophen-2-ylmethyl)-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2012","68","5","o1279","","10.1107/S1600536812013633","","","1.54184","CuKα","","0.0452","0.0446","","","0.119","0.1201","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234663","8.177","0.005","17.243","0.005","11.191","0.005","90","","102.07","0.005","90","","1543","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","HG5204","Liao, Shang-Tie","Ethyl 2-benzoyl-6-methylindolizine-7-carboxylate","Acta Crystallographica Section E","2012","68","5","o1457","","10.1107/S1600536812016212","","","0.71069","MoKα","","0.0707","0.056","","","0.1465","0.1662","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234664","11.4915","0.0004","12.0673","0.0005","13.0695","0.0006","111.864","0.004","92.141","0.003","93.705","0.003","1674.79","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C21 H19 N O -","- C21 H19 N O -","- C84 H76 N4 O4 -","4","2","HG5205","Prasath, R.; Bhavana, P.; Butcher, Ray J.","(E)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1501","","10.1107/S1600536812015498","","","1.54178","CuKα","","0.056","0.0482","","","0.1328","0.1427","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234665","14.3353","0.001","8.7683","0.0005","11.9839","0.0008","90","","102.181","0.007","90","","1472.42","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)quinoline- κN]zinc","","- C14 H13 Cl2 N3 Zn -","- C14 H13 Cl2 N3 Zn -","- C56 H52 Cl8 N12 Zn4 -","4","1","HG5206","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)quinoline-κN]zinc","Acta Crystallographica Section E","2012","68","5","m571","m572","10.1107/S1600536812014390","","","0.71073","MoKα","","0.0803","0.0503","","","0.1065","0.1237","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234666","7.1819","0.0007","8.9393","0.0008","10.2511","0.001","105.296","0.005","105.174","0.004","101.43","0.004","586.9","0.1","160","2","160","2","","","","","","","","3","P -1","-P 1","2","Alternariol 9-O-methyl ether","3,7-dihydroxy-9-methoxy-1-methyl-6H-benzo[c]chromen-6-one","","- C15 H12 O5 -","- C15 H12 O5 -","- C30 H24 O10 -","2","1","HG5207","Dasari, Sreekanth; Bhadbhade, Mohan; Neilan, Brett A.","Alternariol 9-O-methyl ether","Acta Crystallographica Section E","2012","68","5","o1471","","10.1107/S1600536812015000","","","0.71073","MoKα","","0.0412","0.0329","","","0.0901","0.0959","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234667","16.206","0.005","8.513","0.002","12.021","0.003","90","","92.352","0.002","90","","1657","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propyl 2-(4-methylbenzenesulfonamido)benzoate","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C68 H76 N4 O16 S4 -","4","1","HG5208","Mustafa, Ghulam; Muhmood, Tahir; Khan, Islam Ullah; Akkurt, Mehmet","Propyl 2-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1388","","10.1107/S1600536812015528","","","0.71073","MoKα","","0.0943","0.0564","","","0.1569","0.1782","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234668","5.7","0.0001","11.0136","0.0002","22.7545","0.0004","90","","95.198","0.002","90","","1422.6","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-{[(Benzylsulfanyl)methanethioyl]amino}-2-methylaniline","Benzyl 3-(2-methylphenyl)dithiocarbazate","","- C15 H16 N2 S2 -","- C15 H16 N2 S2 -","- C60 H64 N8 S8 -","4","1","HG5209","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Benzyl 3-(2-methylphenyl)dithiocarbazate","Acta Crystallographica Section E","2012","68","5","o1402","","10.1107/S160053681201567X","","","1.5418","CuKα","","0.0365","0.0349","","","0.0956","0.0972","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234669","8.989","0.003","11.163","0.004","13.722","0.004","90","","90","","90","","1376.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-4'-ethyl-3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]","","- C14 H18 Cl N S -","- C14 H18 Cl N S -","- C56 H72 Cl4 N4 S4 -","4","1","HG5210","Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Türktekin-Çelikesir, Sevim; Tahir, Muhammad Nawaz","5-Chloro-4'-ethyl-3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]","Acta Crystallographica Section E","2012","68","5","o1466","","10.1107/S1600536812016479","","","0.71073","MoKα","","0.0484","0.0384","","","0.0856","0.0916","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234670","9.798","0.002","12.042","0.002","15.389","0.003","112.31","0.03","94.51","0.03","108.93","0.03","1546.1","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tri-tert-butylphosphonium hydroxytris(pentafluorophenyl)borate","","- C30 H29 B F15 O P -","- C30 H29 B F15 O P -","- C60 H58 B2 F30 O2 P2 -","2","1","HG5215","Klahn, Marcus; Spannenberg, Anke; Rosenthal, Uwe","Tri-tert-butylphosphonium hydroxytris(pentafluorophenyl)borate","Acta Crystallographica Section E","2012","68","5","o1549","","10.1107/S1600536812018144","","","0.71073","MoKα","","0.0522","0.03","","","0.066","0.0694","","","","","","0.839","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234671","5.8428","0.0001","16.3177","0.0002","32.1286","0.0005","90","","90","","90","","3063.17","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium [1-(tert-butoxycarbonyl)-1H-indol-3-yl]trifluoroborate hemihydrate","","- C13 H15 B F3 K N O2.5 -","- C13 H15 B F3 K N O2.5 -","- C104 H120 B8 F24 K8 N8 O20 -","8","2","HP2034","Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Potassium [1-(tert-butoxycarbonyl)-1H-indol-3-yl]trifluoroborate hemihydrate","Acta Crystallographica Section E","2012","68","5","m551","m552","10.1107/S1600536812014225","","","0.71073","MoKα","","0.0375","0.0317","","","0.0717","0.0745","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234672","15.6635","0.0002","15.6635","0.0002","27.1833","0.0006","90","","90","","90","","6669.29","0.19","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis[μ~3~-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2- yl)benzamidato]tetrakis[methanolsodium(I)]","","- C64 H52 N16 Na4 O20 -","- C64 H52 N16 Na4 O20 -","- C256 H208 N64 Na16 O80 -","4","0.25","HP2035","Yin, Guo-Jie; Zhang, Qing; Li, Dong","Tetrakis[μ~3~-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetrakis[methanolsodium(I)]","Acta Crystallographica Section E","2012","68","5","m570","","10.1107/S1600536812014791","","","0.71073","MoKα","","0.0564","0.0399","","","0.0968","0.1057","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234673","7.3384","0.0007","24.582","0.002","8.8559","0.0008","90","","111.158","0.001","90","","1489.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(1-methyl-1H-imidazole-κN^3^)bis[2-(naphthalen- 1-yl)acetato-κO]cobalt(II)","","- C32 H34 Co N4 O6 -","- C32 H34 Co N4 O6 -","- C64 H68 Co2 N8 O12 -","2","0.5","HY2522","Zhao, Hong; Yin, Fu-Jun; Xu, Xing-You; Han, Li-Jun","Diaquabis(1-methyl-1H-imidazole-κN^3^)bis[2-(naphthalen-1-yl)acetato-κO]cobalt(II)","Acta Crystallographica Section E","2012","68","5","m533","","10.1107/S1600536812013505","","","0.71073","MoKα","","0.0398","0.0318","","","0.0802","0.084","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234674","13.243","0.005","7.983","0.005","15.248","0.005","90","","94.873","0.005","90","","1606.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-Ferrocenymethyl-N-phenylpropionamide","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C80 H84 Fe4 N4 O4 -","4","1","HY2528","Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","N-Ferrocenymethyl-N-phenylpropionamide","Acta Crystallographica Section E","2012","68","5","m647","","10.1107/S1600536812016303","","","0.71073","MoKα","","0.0534","0.0343","","","0.0766","0.0942","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234675","22.837","0.005","5.9004","0.0012","16.012","0.003","90","","117.08","0.03","90","","1921","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[(dichloridozinc)-μ-4,4'-bis[(1H-imidazol-1- yl)methyl]biphenyl-κ^2^N^3^:N^3'^]","","- C20 H18 Cl2 N4 Zn -","- C20 H18 Cl2 N4 Zn -","- C80 H72 Cl8 N16 Zn4 -","4","0.5","HY2529","Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng","catena-Poly[(dichloridozinc)-μ-4,4'-bis[(1H-imidazol-1-yl)methyl]biphenyl-κ^2^N^3^:N^3'^]","Acta Crystallographica Section E","2012","68","5","m576","","10.1107/S1600536812014043","","","0.71073","MoKα","","0.0378","0.0308","","","0.0799","0.0829","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234676","7.3363","0.001","6.1934","0.0009","25.219","0.004","90","","97.708","0.002","90","","1135.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaquabis{μ-5-[4-(1H-imidazol-1- ylmethyl)phenyl]tetrazolato}copper(II)]","","- C22 H22 Cu N12 O2 -","- C22 H22 Cu N12 O2 -","- C44 H44 Cu2 N24 O4 -","2","0.5","HY2532","Li, Yuan; Chen, Ruizhan","Poly[diaquabis{μ-5-[4-(1H-imidazol-1-ylmethyl)phenyl]tetrazolato}copper(II)]","Acta Crystallographica Section E","2012","68","5","m622","","10.1107/S1600536812015176","","","0.71073","MoKα","","0.0336","0.031","","","0.0831","0.085","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234677","11.462","0.009","7.121","0.005","16.116","0.012","90","","95.418","0.014","90","","1309.5","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[5-(pyrazin-2-yl-κN^1^)-3-(pyridin-4-yl)-1H-1,2,4- triazol-1-ido-κN^1^]cobalt(II) methanol disolvate","","- C24 H26 Co N12 O4 -","- C24 H26 Co N12 O4 -","- C48 H52 Co2 N24 O8 -","2","0.5","HY2533","Bi, Yan; Wu, Na; Chen, Jing","Diaquabis[5-(pyrazin-2-yl-κN^1^)-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-ido-κN^1^]cobalt(II) methanol disolvate","Acta Crystallographica Section E","2012","68","5","m600","","10.1107/S160053681201495X","","","0.71073","MoKα","","0.0632","0.0404","","","0.0932","0.1036","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234678","16.07","0.004","9.471","0.002","23.54","0.006","90","","107.685","0.004","90","","3413.4","1.4","113","2","113","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine- 2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]","","- C42 H63 Ca3 Eu2 N6 O46.5 -","- C42 H54 Ca3 Eu2 N6 O46.5 -","- C84 H108 Ca6 Eu4 N12 O93 -","2","0.5","HY2534","Shi, Fengjuan; Deng, Jiguang; Dai, Hongxing","Poly[[dodecaaquabis(μ~3~-pyridine-2,6-dicarboxylato)tetrakis(μ~2~-pyridine-2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate]","Acta Crystallographica Section E","2012","68","5","m685","m686","10.1107/S1600536812018028","","","0.71073","MoKα","","0.0515","0.0424","","","0.0903","0.0937","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234679","10.0074","0.001","17.7556","0.0017","14.5125","0.0014","90","","102.924","0.001","90","","2513.4","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(2,2'-bipyidine-2κ^2^N,N')-μ-cyanido- 1:2κ^2^N:C-dicopper(I)]-μ-bromido-[(2,2'-bipyidine- 2κ^2^N,N')-μ-cyanido-1:2κ^2^N:C-dicopper(I)]- μ-cyanido-κ^2^N:C]","","- C23 H16 Br Cu4 N7 -","- C23 H16 Br Cu4 N7 -","- C92 H64 Br4 Cu16 N28 -","4","1","HY2536","Gu, Jia; Jiang, Xuee; Su, Zhanhua; Zhou, Baibin","catena-Poly[[(2,2'-bipyidine-2κ^2^N,N')-μ-cyanido-1:2κ^2^N:C-dicopper(I)]-μ-bromido-[(2,2'-bipyidine-2κ^2^N,N')-μ-cyanido-1:2κ^2^N:C-dicopper(I)]-μ-cyanido-κ^2^N:C]","Acta Crystallographica Section E","2012","68","5","m693","","10.1107/S1600536812018120","","","0.71073","MoKα","","0.0817","0.0352","","","0.0697","0.0839","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234680","7.9191","0.0007","12.3873","0.0005","15.393","0.006","90","","90","","90","","1510","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato- κ^2^N,O]rhodium(I)","","- C15 H16 N O3 Rh -","- C15 H16 N O3 Rh -","- C60 H64 N4 O12 Rh4 -","4","1","HY2537","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato-κ^2^N,O]rhodium(I)","Acta Crystallographica Section E","2012","68","5","m666","m667","10.1107/S1600536812017175","","","0.71073","MoKα","","0.0166","0.0165","","","","0.042","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234681","20.467","0.004","7.1699","0.0014","7.7569","0.0016","90","","93.83","0.03","90","","1135.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Bis(3-methylanilinium) hexachloridostannate(IV) dihydrate","","- C14 H24 Cl6 N2 O2 Sn -","- C14 H24 Cl6 N2 O2 Sn -","- C28 H48 Cl12 N4 O4 Sn2 -","2","0.25","HY2538","Liu, Ming-Liang","Bis(3-methylanilinium) hexachloridostannate(IV) dihydrate","Acta Crystallographica Section E","2012","68","5","m681","","10.1107/S1600536812017618","","","0.71073","MoKα","","0.0304","0.0298","","","0.0952","0.0958","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234682","10.4533","0.0018","10.5018","0.0018","12.626","0.002","104.745","0.009","91.146","0.01","96.21","0.01","1330.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]- 4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)","","- C20 H25 Cl3 N6 O8 -","- C20 H25 Cl3 N6 O8 -","- C40 H50 Cl6 N12 O16 -","2","1","IM2363","Jiang, Nan; Zuo, Jian; Wang, Haiyan; Han, Ming; Zhai, Xin","(E)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]-4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)","Acta Crystallographica Section E","2012","68","5","o1557","o1558","10.1107/S1600536812018272","","","0.71073","MoKα","","0.0833","0.0714","","","0.2066","0.2191","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234683","28.667","0.007","3.9702","0.001","17.95","0.004","90","","112.92","0.003","90","","1881.7","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile","","- C9 H9 N5 -","- C9 H9 N5 -","- C72 H72 N40 -","8","1","IM2369","Mohamed, Shaaban K.; Soliman, Ahmed M.; Abdel-Raheem, Eman M. M.; Saeed, Sohail; Wong, Wing-Tak","2-Amino-6-(dimethylamino)pyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","5","o1532","","10.1107/S1600536812017278","","","0.71073","MoKα","","0.0723","0.048","","","0.1316","0.1469","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234684","12.2627","0.001","11.1044","0.0008","23.2861","0.0017","90","","98.391","0.002","90","","3136.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(nitrato-κ^2^O,O')bis[4,4,5,5-tetramethyl-2-(pyridin- 2-yl-κN)imidazoline-1-oxyl 3-oxide-κO]holmium(III)","","- C24 H32 Ho N9 O13 -","- C24 H32 Ho N9 O13 -","- C96 H128 Ho4 N36 O52 -","4","1","IS5078","Li, Dong-Jiao","Tris(nitrato-κ^2^O,O')bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κN)imidazoline-1-oxyl 3-oxide-κO]holmium(III)","Acta Crystallographica Section E","2012","68","5","m550","","10.1107/S1600536812012445","","","0.71075","MoKα","","0.0565","0.0438","","","0.0586","0.061","","","","","","1.253","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234685","5.1997","0.001","27.188","0.005","6.4347","0.0013","90","","111.24","0.03","90","","847.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-\ μ-pyrazine-2-carboxylato] nitrate dihydrate]","","- C10 H14 Ag N5 Ni O11 -","- C10 H14 Ag N5 Ni O11 -","- C20 H28 Ag2 N10 Ni2 O22 -","2","0.5","IS5099","Yang, Min; Chai, Li-Yuan; Yi, Xiao-Yi","catena-Poly[[[diaquanickel(II)]-μ-pyrazine-2-carboxylato-silver(I)-μ-pyrazine-2-carboxylato] nitrate dihydrate]","Acta Crystallographica Section E","2012","68","5","m689","","10.1107/S1600536812018119","","","0.71073","MoKα","","0.0947","0.0699","","","0.2245","0.2445","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234686","12.0606","0.001","16.6747","0.0013","8.9469","0.0007","90","","108.08","0.002","90","","1710.4","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2,6-Dimethylphenyl)-2,2-diphenylacetamide","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","IS5102","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(2,6-Dimethylphenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1287","o1288","10.1107/S1600536812013451","","","0.71073","MoKα","","0.0809","0.0559","","","0.1235","0.1393","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234687","8.521","0.0005","10.7809","0.0006","11.2707","0.0007","90.411","0.001","97.205","0.001","94.21","0.001","1024.28","0.1","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Diethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4- dihydropyridine-3,5-dicarboxylate","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","1","IS5103","Fun, Hoong-Kun; Loh, Wan-Sin; Vijesh, A. M.; Isloor, Arun M.; Malladi, Shridhar","Diethyl 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1289","o1290","10.1107/S160053681201344X","","","0.71073","MoKα","","0.0457","0.0382","","","0.1009","0.1073","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234688","3.8626","0.0002","27.9946","0.001","14.4943","0.0005","90","","95.64","0.003","90","","1559.71","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-1H-1,2,3,4-tetrazole","","- C7 H5 Cl N4 -","- C7 H5 Cl N4 -","- C56 H40 Cl8 N32 -","8","2","IS5104","Kim, Jong Tae; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","1-(4-Chlorophenyl)-1H-1,2,3,4-tetrazole","Acta Crystallographica Section E","2012","68","5","o1344","","10.1107/S1600536812014353","","","0.71073","MoKα","","0.0693","0.0494","","","0.0937","0.1005","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234689","10.077","0.002","8.1235","0.0016","17.101","0.003","90","","124.86","0.03","90","","1148.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-Poly[(aquadimethanolzinc)-μ-furan-2,5- dicarboxylato-κ^3^O^2^:O^2^,O^2'^]","","- C8 H12 O8 Zn -","- C8 H12 O8 Zn -","- C32 H48 O32 Zn4 -","4","1","IS5106","Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan","catena-Poly[(aquadimethanolzinc)-μ-furan-2,5-dicarboxylato-κ^3^O^2^:O^2^,O^2'^]","Acta Crystallographica Section E","2012","68","5","m595","","10.1107/S1600536812014936","","","0.71073","MoKα","","0.1123","0.0616","","","0.1252","0.142","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234690","11.9682","0.0008","7.4526","0.0005","17.0749","0.0014","90","","108.072","0.006","90","","1447.85","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole- 2(3H)-thione","","- C14 H13 N3 O S2 -","- C14 H13 N3 O S2 -","- C56 H52 N12 O4 S8 -","4","1","IS5107","El-Emam, Ali A.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione","Acta Crystallographica Section E","2012","68","5","o1345","o1346","10.1107/S1600536812014419","","","1.54178","CuKα","","0.0852","0.0484","","","0.1378","0.1555","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234691","13.8329","0.0007","7.3107","0.0004","17.5302","0.0012","90","","128.157","0.004","90","","1393.99","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C14 H21 N3 S -","- C14 H21 N3 S -","- C56 H84 N12 S4 -","4","1","IS5108","El-Emam, Ali A.; El-Brollosy, Nasser R.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","5","o1347","","10.1107/S1600536812014407","","","1.54178","CuKα","","0.0969","0.0616","","","0.1538","0.1669","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234692","10.2307","0.001","9.3038","0.0011","20.652","0.002","90","","90","","90","","1965.7","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2- yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","","- C17 H23 N3 O6 -","- C17 H23 N3 O6 -","- C68 H92 N12 O24 -","4","1","IS5109","Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","Methyl 2-({6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridin-2-yl}formamido)-2-methylpropanoate","Acta Crystallographica Section E","2012","68","5","o1377","o1378","10.1107/S1600536812014651","","","1.54178","CuKα","","0.0668","0.0502","","","0.1233","0.1331","","","","","","0.905","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234693","6.112","0.004","14.278","0.008","22.395","0.012","90","","90","","90","","1954","2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine- κ^2^N:N')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","","- C17 H22 Ce N O12 -","- C17 H22 Ce N O12 -","- C68 H88 Ce4 N4 O48 -","4","0.5","IS5110","Kumagai, Hitoshi; Sakamoto, Yoshiyuki; Kawata, Satoshi; Inagaki, Shinji","Poly[[dodecaaqua(μ~4~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine-κ^2^N:N')dicerium(III)] bis(benzene-1,4-dicarboxylate)]","Acta Crystallographica Section E","2012","68","5","m643","m644","10.1107/S1600536812016388","","","0.7107","MoKα","","","0.0338","","","","0.0678","","","","","","1.392","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234694","6.1984","0.0002","17.0998","0.0004","13.7007","0.0003","90","","91.036","0.001","90","","1451.92","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Xerophenone A","(1R,3R,4R,6S,8E,10R)-10-hydroxy-8- [hydroxy(phenyl)methylene]-4-methyl-1,6-bis(3-methylbut-2-en-1-yl)-3-(3- methylbut-3-en-1-yl)-11-oxatricyclo[4.3.1.1^4,10^]undecane-7,9-dione","","- C33 H42 O5 -","- C33 H42 O5 -","- C66 H84 O10 -","2","1","IS5112","Fun, Hoong-Kun; Tantapakul, Cholpisut; Laphookhieo, Surat; Boonnak, Nawong; Chantrapromma, Suchada","Absolute configuration of xerophenone A","Acta Crystallographica Section E","2012","68","5","o1451","o1452","10.1107/S1600536812015267","","","1.54178","CuKα","","0.0371","0.0365","","","0.0985","0.099","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234695","14.9549","0.0015","13.2642","0.0011","17.9393","0.0017","90","","109.015","0.003","90","","3364.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N- [8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate","","- C32 H39 Br N4 O5 S2 -","- C32 H39 Br N4 O5 S2 -","- C128 H156 Br4 N16 O20 S8 -","4","1","IS5113","Akkurt, Mehmet; Gürsoy, Elif; Güzeldemirci, Nuray Ulusoy; Türktekin-Çelikesir, Sevim; Tahir, Muhammad Nawaz","2-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[8-(4-hydroxyphenyl)-2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl]acetamide ethanol disolvate","Acta Crystallographica Section E","2012","68","5","o1505","o1506","10.1107/S1600536812015371","","","0.71073","MoKα","","0.1708","0.056","","","0.1155","0.1498","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234696","11.9409","0.0003","9.5478","0.0003","22.0034","0.0006","90","","103.61","0.002","90","","2438.15","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-Adamantyl)-4-amino-1-(2-benzoyl-1-phenylethyl)-1H-1,2,4-triazol- 5(4H)-thione","","- C27 H30 N4 O S -","- C27 H30 N4 O S -","- C108 H120 N16 O4 S4 -","4","1","IS5114","Lahsasni, Siham; El-Emam, Ali A.; El-Brollosy, Nasser R.; Quah, Ching Kheng; Fun, Hoong-Kun","3-(1-Adamantyl)-4-amino-1-(2-benzoyl-1-phenylethyl)-1H-1,2,4-triazol-5(4H)-thione","Acta Crystallographica Section E","2012","68","5","o1439","o1440","10.1107/S1600536812015929","","","1.54178","CuKα","","0.0755","0.0565","","","0.13","0.1402","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234697","10.4357","0.0006","12.4953","0.0008","12.8706","0.0005","90","","107.019","0.003","90","","1604.79","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","2","IS5115","Ghorab, Mostafa M.; Al-Said, Mansour S.; Alqasoumi, Saleh I.; Chia, Tze Shyang; Fun, Hoong-Kun","3-[(1-Hydroxy-1-phenylpropan-2-yl)amino]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2012","68","5","o1436","o1437","10.1107/S160053681201570X","","","1.54178","CuKα","","0.0699","0.0515","","","0.1391","0.1504","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234698","7.0182","0.0004","7.3443","0.0004","13.7142","0.0008","91.742","0.001","100.836","0.001","112.878","0.001","635.47","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","(Z)-2-(4-Chlorobenzylidene)benzo[d]thiazolo[3,2-a]imidazol-3(2H)-one","","- C16 H9 Cl N2 O S -","- C16 H9 Cl N2 O S -","- C32 H18 Cl2 N4 O2 S2 -","2","1","IS5117","Fun, Hoong-Kun; Chantrapromma, Suchada; Abdel-Aziz, Hatem A.","(Z)-2-(4-Chlorobenzylidene)benzo[d]thiazolo[3,2-a]imidazol-3(2H)-one","Acta Crystallographica Section E","2012","68","5","o1393","o1394","10.1107/S1600536812015516","","","0.71073","MoKα","","0.0343","0.0295","","","0.0777","0.0819","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234699","6.6666","0.0015","7.5437","0.0017","24.781","0.006","81.526","0.004","82.969","0.004","66.632","0.004","1128.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4- carbohydrazide acetic acid monosolvate monohydrate","","- C22 H20 Cl N3 O6 -","- C22 H20 Cl N3 O6 -","- C44 H40 Cl2 N6 O12 -","2","1","IS5118","Diao, Chun-Hua; Fan, Zhi","(E)-N'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4-carbohydrazide acetic acid monosolvate monohydrate","Acta Crystallographica Section E","2012","68","5","o1517","","10.1107/S1600536812017369","","","0.71073","MoKα","","0.0801","0.043","","","0.0986","0.1185","","","","","","1.03","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234700","4.6611","0.0002","19.8907","0.0009","20.9081","0.0009","90","","91.988","0.004","90","","1937.28","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-Ethyl 2-cyano-3-(furan-2-yl)acrylate","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","IS5119","Kalkhambkar, Rajesh G.; Gayathri, D.; Gupta, Vivek K.; Kant, Rajni; Jeong, Yeon Tae","(E)-Ethyl 2-cyano-3-(furan-2-yl)acrylate","Acta Crystallographica Section E","2012","68","5","o1482","","10.1107/S1600536812016510","","","0.71073","MoKα","","0.1288","0.0662","","","0.1695","0.2085","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234701","8.0494","0.0001","8.5317","0.0001","10.711","0.0002","87.624","0.001","81.378","0.001","66.709","0.001","667.871","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15 H10 Br F O2 S -","- C30 H20 Br2 F2 O4 S2 -","2","1","IS5120","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1470","","10.1107/S1600536812016789","","","0.71073","MoKα","","0.0272","0.0245","","","0.0628","0.064","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234702","17.9868","0.0007","10.383","0.0003","21.2154","0.0006","90","","124.671","0.002","90","","3258.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-7-[2-(4-Bromophenyl)hydrazin-1-ylidene]-6-methyl-3-(pyridin-4-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","- C16 H12 Br N7 S -","- C16 H12 Br N7 S -","- C128 H96 Br8 N56 S8 -","8","2","IS5121","Fun, Hoong-Kun; Chantrapromma, Suchada; Bhat, Mashooq A.; Abdel-Aziz, Hatem A.","(Z)-7-[2-(4-Bromophenyl)hydrazin-1-ylidene]-6-methyl-3-(pyridin-4-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","5","o1512","o1513","10.1107/S1600536812017412","","","0.71073","MoKα","","0.1284","0.047","","","0.0872","0.1122","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234703","8.2291","0.0009","22.02","0.003","7.3355","0.0011","90","","90","","90","","1329.2","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-[2-(Trifluoromethyl)phenyl]-2H-1-benzopyran-4(3H)-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","KJ2198","Francuski, Bojana M.; Ivković, Branka; Stojanović, Ivana; Vladimirov, Sote; Francuski, Djordje","2-[2-(Trifluoromethyl)phenyl]-2H-1-benzopyran-4(3H)-one","Acta Crystallographica Section E","2012","68","5","o1522","","10.1107/S160053681201687X","","","0.71073","MoKα","","0.1537","0.0868","","","0.0934","0.1093","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234704","7.7255","0.0006","13.2184","0.0011","15.8335","0.0012","90","","118.148","0.005","90","","1425.7","0.2","296","","296","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-Amino-4-nitrophenol‒1-(2,4,6-trihydroxyphenyl)ethanone (1/1)","","- C14 H14 N2 O7 -","- C14 H14 N2 O7 -","- C56 H56 N8 O28 -","4","1","KJ2199","Kocabıyık, Can; Paşaoğlu, Hümeyra; Basılı, Taşkın; Ağar, Erbil","2-Amino-4-nitrophenol‒1-(2,4,6-trihydroxyphenyl)ethanone (1/1)","Acta Crystallographica Section E","2012","68","5","o1527","o1528","10.1107/S1600536812017497","","","0.71073","MoKα","","0.09","0.0462","","","0.0868","0.0982","","","","","","0.968","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234705","13.831","0.003","8.9904","0.0018","14.978","0.003","90","","112.79","0.03","90","","1717.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethoxymethyl-5-methyl-9-phenyl-6,7,8,9-tetrahydro-1H- pyrimido[4,5-b][1,4]diazepine-2,4(3H,5H)-dione","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C68 H88 N16 O12 -","4","1","KP2397","Li, Gong; Wang, Xiaowei; Zhang, Zhili; Liu, Junyi","1-Ethoxymethyl-5-methyl-9-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepine-2,4(3H,5H)-dione","Acta Crystallographica Section E","2012","68","5","o1396","","10.1107/S1600536812014985","","","0.71073","MoKα","","0.1481","0.0791","","","0.2249","0.2504","","","","","","0.863","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234706","7.607","0.0006","8.0621","0.0008","9.1509","0.0009","102.762","0.001","97.495","0.001","106.073","0.002","514.84","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[(trans-diaquacadmium)-bis{μ- 5-[4-(1H-imidazol-1-yl)phenyl]tetrazol-1-ido}]","","- C20 H18 Cd N12 O2 -","- C20 H18 Cd N12 O2 -","- C20 H18 Cd N12 O2 -","1","0.5","KP2399","Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","catena-Poly[(trans-diaquacadmium)-bis{μ-5-[4-(1H-imidazol-1-yl)phenyl]tetrazol-1-ido}]","Acta Crystallographica Section E","2012","68","5","m585","m586","10.1107/S1600536812014626","","","0.71073","MoKα","","0.0278","0.0265","","","0.064","0.065","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234707","16.2714","0.0014","7.6529","0.0007","20.2448","0.0018","90","","91.691","0.001","90","","2519.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxy-4'-nitro-1,1'-biphenyl","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C112 H104 N8 O32 -","8","2","KP2400","Li, Xin-Min; Hou, Yan-Jun; Chu, Wen-Yi; Sun, Zhi-Zhong","3,4-Dimethoxy-4'-nitro-1,1'-biphenyl","Acta Crystallographica Section E","2012","68","5","o1292","","10.1107/S1600536812013657","","","0.71073","MoKα","","0.0572","0.0377","","","0.0945","0.1035","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234708","18.3004","0.001","8.3399","0.0007","5.6563","0.0001","90","","90","","90","","863.28","0.09","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1,3-Dimethyl-1H-indazol-6-amine","","- C9 H11 N3 -","- C9 H11 N3 -","- C36 H44 N12 -","4","1","KP2401","Zhang, Xiao-Kai; Liu, Bing-Ni; Liu, Mo; Liu, Deng-Ke; Wang, Ping-Bao","1,3-Dimethyl-1H-indazol-6-amine","Acta Crystallographica Section E","2012","68","5","o1291","","10.1107/S1600536812013694","","","0.71073","MoKα","","0.0675","0.0546","","","0.1376","0.1487","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234709","14.38","0.003","9.31","0.0019","13.27","0.003","90","","106.21","0.03","90","","1705.9","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,5SR)-9-Benzyl-2-[(1RS)-1-hydroxybenzyl]- 9-azabicyclo[3.3.1]nonan-3-one","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","KP2402","Lazny, Ryszard; Wolosewicz, Karol; Dauter, Zbigniew; Brzezinski, Krzysztof","(1RS,2SR,5SR)-9-Benzyl-2-[(1RS)-1-hydroxybenzyl]-9-azabicyclo[3.3.1]nonan-3-one from synchrotron data","Acta Crystallographica Section E","2012","68","5","o1367","","10.1107/S1600536812014754","","","0.61992","synchrotron","","0.0431","0.0398","","","0.1169","0.1194","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234710","9.5361","0.0019","15.941","0.003","24.853","0.005","90","","90","","90","","3778","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7- (trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C20 H11 Cl2 F4 N3 -","- C20 H11 Cl2 F4 N3 -","- C160 H88 Cl16 F32 N24 -","8","1","KP2407","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Jiang, Ming-Jun; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","Acta Crystallographica Section E","2012","68","5","o1515","","10.1107/S1600536812017345","","","0.71073","MoKα","","0.0717","0.0552","","","0.1399","0.1525","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234711","16.024","0.003","14.808","0.003","15.872","0.003","90","","100.065","0.003","90","","3708.2","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,17-Dibromo-26,28-bis[(methoxycarbonyl)methoxy]-25,27-dipropoxy-2,8,14,20- tetrathiacalix[4]arene","","- C36 H34 Br2 O8 S4 -","- C36 H34 Br2 O8 S4 -","- C144 H136 Br8 O32 S16 -","4","1","LD2052","Zhang, Li-Jing; Liu, Ling-Ling; Liu, Qi-Kui; Guo, Dian-Shun","5,17-Dibromo-26,28-bis[(methoxycarbonyl)methoxy]-25,27-dipropoxy-2,8,14,20-tetrathiacalix[4]arene","Acta Crystallographica Section E","2012","68","5","o1353","o1354","10.1107/S1600536812014559","","","0.71073","MoKα","","0.0651","0.0415","","","0.0846","0.0909","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234712","12.11","0.0009","15.5996","0.0012","16.0253","0.0012","90","","90","","90","","3027.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","[2-(1H-Indol-4-yl)ethyl]dipropylamine","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","LD2053","Wang, De-Cai; Pan, Hua-Yang; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","[2-(1H-Indol-4-yl)ethyl]dipropylamine","Acta Crystallographica Section E","2012","68","5","o1502","","10.1107/S1600536812015474","","","0.71073","MoKα","","0.1464","0.0598","","","0.1007","0.1222","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234713","10.8558","0.0012","10.9385","0.0012","11.8946","0.0013","74.443","0.001","80.967","0.001","71.448","0.001","1286","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3,11-Dibromo-14-(4-chlorophenyl)-14H-dibenzo[a,j]xanthene dimethylformamide monosolvate","","- C30 H22 Br2 Cl N O2 -","- C30 H22 Br2 Cl N O2 -","- C60 H44 Br4 Cl2 N2 O4 -","2","1","LD2054","Song, Yong Bin; Liu, Bo","3,11-Dibromo-14-(4-chlorophenyl)-14H-dibenzo[a,j]xanthene dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","o1460","","10.1107/S1600536812016200","","","0.71073","MoKα","","0.0703","0.0388","","","0.0838","0.0912","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234714","10.8061","0.0003","9.9466","0.0003","18.4288","0.0005","90","","98.23","0.003","90","","1960.4","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(p-toluenesulfonato-κO)silver(I)]- μ-1,3-bis(pyridin-4-yl)propane-κ^2^N:N']","","- C20 H21 Ag N2 O3 S -","- C20 H21 Ag N2 O3 S -","- C80 H84 Ag4 N8 O12 S4 -","4","1","LH5431","Ma, Feng; Wei, Dai-Bao; Cao, Zhi-Min","catena-Poly[[(p-toluenesulfonato-κO)silver(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^N:N']","Acta Crystallographica Section E","2012","68","5","m611","m612","10.1107/S1600536812015218","","","0.7107","MoKα","","0.0413","0.0303","","","0.0731","0.075","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234715","7.7264","0.0004","11.8757","0.0006","12.9471","0.0005","90","","93.332","0.003","90","","1185.97","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Tetrachloridobis(1H-imidazole-κN^3^)platinum(IV)","","- C6 H8 Cl4 N4 Pt -","- C6 H8 Cl4 N4 Pt -","- C24 H32 Cl16 N16 Pt4 -","4","0.5","LH5433","Bokach, Nadezhda A.; Kukushkin, Vadim Yu.; Izotova, Yulia A.; Usenko, Natalia I.; Haukka, Matti","cis-Tetrachloridobis(1H-imidazole-κN^3^)platinum(IV)","Acta Crystallographica Section E","2012","68","5","m547","m548","10.1107/S1600536812013323","","","0.71073","MoKα","","0.0223","0.0185","","","0.0354","0.0368","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234716","7.4577","0.0015","9.0399","0.0019","9.792","0.002","86.895","0.002","86.51","0.002","84.707","0.002","655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(acetato-κ^2^O,O')aqua(μ~4~-1H-benzimidazole-5,6- dicarboxylato- κ^6^N^3^:O^5^,O^5'^:O^5^,O^6^: O^6'^)cerium(III)]","","- C11 H9 Ce N2 O7 -","- C11 H9 Ce N2 O7 -","- C22 H18 Ce2 N4 O14 -","2","1","LH5440","Chen, Jinhua; Wang, Yuezhu; Zheng, Chun; Luo, Yifan","Poly[(acetato-κ^2^O,O')aqua(μ~4~-1H-benzimidazole-5,6-dicarboxylato-κ^6^N^3^:O^5^,O^5'^:O^5^,O^6^:O^6'^)cerium(III)]","Acta Crystallographica Section E","2012","68","5","m673","","10.1107/S1600536812017503","","","0.71073","MoKα","","0.0243","0.0228","","","0.0532","0.054","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234717","9.232","0.003","16.144","0.006","16.67","0.006","90","","104.439","0.006","90","","2406","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridyl-κ^2^N,N')bis(dicyanamido- κN)manganese(II)","","- C24 H16 Mn N10 -","- C24 H16 Mn N10 -","- C96 H64 Mn4 N40 -","4","1","LH5441","Wang, Haixia; Wang, Shaohong; Lang, Yuehe","Bis(2,2'-bipyridyl-κ^2^N,N')bis(dicyanamido-κN)manganese(II)","Acta Crystallographica Section E","2012","68","5","m569","","10.1107/S1600536812014183","","","0.71073","MoKα","","0.0963","0.0558","","","0.1431","0.1776","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234718","12.419","0.007","19.722","0.01","17.588","0.007","90","","123.25","0.03","90","","3603","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-[1,4-Bis(diphenylphosphanyl)butane- κ^2^P,P']dichlorido(cyclohexane-1,2-diamine- κ^2^N,N')ruthenium(II) dichloromethane monosolvate","","- C35 H44 Cl4 N2 P2 Ru -","- C35 H44 Cl4 N2 P2 Ru -","- C140 H176 Cl16 N8 P8 Ru4 -","4","1","LH5442","Warad, Ismail","cis-[1,4-Bis(diphenylphosphanyl)butane-κ^2^P,P']dichlorido(cyclohexane-1,2-diamine-κ^2^N,N')ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m563","m564","10.1107/S1600536812014080","","","0.71073","MoKα","","0.0615","0.0496","","","0.1254","0.1349","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234719","8.6638","0.0001","19.9429","0.0002","13.5225","0.0001","90","","94.937","0.001","90","","2327.77","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine- 3',2''-indane]-2,1''(1H)-dione","","- C30 H22 Br N O2 -","- C30 H22 Br N O2 -","- C120 H88 Br4 N4 O8 -","4","1","LH5443","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","4'-(4-Bromophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione","Acta Crystallographica Section E","2012","68","5","o1340","o1341","10.1107/S1600536812014213","","","0.71073","MoKα","","0.0624","0.0363","","","0.0742","0.0845","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234720","10.264","0.002","10.803","0.002","10.168","0.002","90","","98.61","0.03","90","","1114.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-p-Tolylpyrrolidine-1-carboxamide","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","LH5444","Li, Yu-Feng","N-p-Tolylpyrrolidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1275","","10.1107/S1600536812013578","","","0.71073","MoKα","","0.0687","0.0522","","","0.1584","0.1834","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234721","9.282","0.002","15.849","0.004","14.711","0.004","90","","108.048","0.004","90","","2057.7","0.9","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^)-μ-chlorido- bis[bis(4-bromo-3,5-dimethylpyrazole-κN^2^)chloridocopper(II)] acetonitrile monosolvate","","- C27 H37 Br5 Cl3 Cu2 N11 -","- C27 H37 Br5 Cl3 Cu2 N11 -","- C54 H74 Br10 Cl6 Cu4 N22 -","2","1","LH5445","Wei, Wei; Xu, Yanhui","(μ-4-Bromo-3,5-dimethylpyrazolato-κ^2^N^1^:N^2^)-μ-chlorido-bis[bis(4-bromo-3,5-dimethylpyrazole-κN^2^)chloridocopper(II)] acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","5","m557","","10.1107/S160053681201402X","","","0.71073","MoKα","","0.0284","0.0244","","","0.0352","0.036","","","","","","0.875","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234722","5.6915","0.0001","15.1889","0.0002","16.5967","0.0002","90","","97.845","0.001","90","","1421.32","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-Diphenyl-N-(1,3-thiazol-2-yl)acetamide","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","LH5446","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-N-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","5","o1312","o1313","10.1107/S1600536812013840","","","0.71073","MoKα","","0.0533","0.042","","","0.0982","0.1057","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234723","10.8608","0.0013","12.6158","0.0014","29.419","0.003","90","","90","","90","","4030.9","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","","- C24 H22 O4 -","- C24 H22 O4 -","- C192 H176 O32 -","8","2","LH5447","Zhou, Liang; Eli, Wumanjiang","(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","Acta Crystallographica Section E","2012","68","5","o1361","","10.1107/S1600536812014699","","","0.71073","MoKα","","0.082","0.0613","","","0.1333","0.1486","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234724","5.5938","0.0003","11.2522","0.0006","14.4864","0.0009","90","","104.571","0.003","90","","882.48","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Dibromo-1,2-dimethyl-1H-imidazol-3-ium bromide","","- C5 H7 Br3 N2 -","- C5 H7 Br3 N2 -","- C20 H28 Br12 N8 -","4","1","LH5448","Bahnous, Mebarek; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","4,5-Dibromo-1,2-dimethyl-1H-imidazol-3-ium bromide","Acta Crystallographica Section E","2012","68","5","o1391","","10.1107/S1600536812015310","","","0.71073","MoKα","","0.0355","0.0269","","","0.0575","0.0601","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234725","15.3351","0.0007","15.3898","0.0007","14.3398","0.0007","90","","109.178","0.001","90","","3196.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-bromido-bis({2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6- dimethylpyrimidine-κ^2^N^1^,S^2^}copper(I))","","- C24 H28 Br2 Cu2 N8 S4 -","- C24 H28 Br2 Cu2 N8 S4 -","- C96 H112 Br8 Cu8 N32 S16 -","4","0.5","LH5449","Nimthong, Ruthairat; Pakawatchai, Chaveng; Wattanakanjana, Yupa","Di-μ-bromido-bis({2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine-κ^2^N^1^,S^2^}copper(I))","Acta Crystallographica Section E","2012","68","5","m645","","10.1107/S1600536812016315","","","0.71073","MoKα","","0.0347","0.0282","","","0.0733","0.0769","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234726","17.576","0.004","7.999","0.0016","10.152","0.002","90","","105.88","0.03","90","","1372.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Carbamoyl-1-(2-nitrobenzyl)pyridinium bromide","","- C13 H12 Br N3 O3 -","- C13 H12 Br N3 O3 -","- C52 H48 Br4 N12 O12 -","4","1","LH5450","Kim, Kyung Beom; Jung, Kwang-Deog; Kim, Cheal; Kim, Youngmee","3-Carbamoyl-1-(2-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","5","o1441","o1442","10.1107/S1600536812015917","","","0.71073","MoKα","","0.0515","0.0359","","","0.0805","0.0857","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234727","10.759","0.001","11.8778","0.0011","15.013","0.0015","90","","107.047","0.004","90","","1834.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate","","- C19 H18 Cl2 O4 -","- C19 H18 Cl2 O4 -","- C76 H72 Cl8 O16 -","4","1","LH5451","Kong, Fan-rui; Wang, Qiang; Xu, Liang-zhong","3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2-methylprop-2-enoate","Acta Crystallographica Section E","2012","68","5","o1531","","10.1107/S1600536812016340","","","0.71073","MoKα","","0.043","0.0346","","","0.0881","0.0917","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234728","13.753","0.004","11.077","0.003","19.37","0.006","90","","107.856","0.005","90","","2808.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3- carbonitrile","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","LH5452","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; Allahverdiyev, M. A.","2-Amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1414","o1415","10.1107/S1600536812015838","","","0.71073","MoKα","","0.066","0.0486","","","0.1144","0.1216","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234729","5.588","0.003","11.85","0.007","12.653","0.008","74.787","0.01","88.884","0.009","86.461","0.009","806.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-1,3-Bis(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en- 1-one","","- C17 H11 Cl2 N3 O -","- C17 H11 Cl2 N3 O -","- C34 H22 Cl4 N6 O2 -","2","1","LH5453","Dai, Ling-Ling; Yin, Ben-Tao; Lv, Jing-Song; Cui, Sheng-Feng; Zhou, Cheng-He","(Z)-1,3-Bis(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1456","","10.1107/S1600536812016170","","","0.71073","MoKα","","0.0479","0.0371","","","0.0971","0.105","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234730","7.7565","0.0002","11.4103","0.0002","10.3339","0.0003","90","","94.888","0.002","90","","911.27","0.04","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-azaniumyl-7-carboxytricyclo[2.2.1.0^2,6^]heptane-3-carboxylate monohydrate","rac-3-exo-Ammonio-7-anti- carboxytricyclo[2.2.1.0^2,6^]heptane-3-endo-carboxylate monohydrate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C36 H52 N4 O20 -","4","1","LH5454","Smith, Graham; Wermuth, Urs D.; Jenkins, Ian D.","rac-3-exo-Ammonio-7-anti-carboxytricyclo[2.2.1.0.^2,6^]heptane-3-endo-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","5","o1468","o1469","10.1107/S1600536812016236","","","0.71073","MoKα","","0.0582","0.0375","","","0.0858","0.0913","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234731","5.936","0.0003","8.1992","0.0004","15.9068","0.0008","90","","91.222","0.003","90","","774.02","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","LH5455","Mustafa, Ghulam; Akkurt, Mehmet; Khan, Islam Ullah; Muhmood, Tahir","Cyanomethyl 4-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1488","","10.1107/S1600536812017126","","","0.71073","MoKα","","0.0707","0.0461","","","0.0957","0.1064","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234732","8.5647","0.0003","10.0019","0.0004","18.7031","0.0007","90","","90","","90","","1602.17","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene- 3-C-methyl-D-allononitrile","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","LH5456","Ayers, Benjamin J.; Jenkinson, Sarah F.; Fleet, George W. J.; Thompson, Amber L.","2-N-Benzyl-2,6-dideoxy-2,6-imino-3,4-O-isopropylidene-3-C-methyl-D-allononitrile","Acta Crystallographica Section E","2012","68","5","o1474","","10.1107/S1600536812016273","","","0.71073","MoKα","","0.0494","0.0405","","0.1064","0.1001","0.1064","","","","","","0.9711","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234733","14.5262","0.0004","14.6086","0.0006","10.8338","0.0004","90","","90","","90","","2299.01","0.14","193","2","193","2","","","","","","","","7","P n n m","-P 2 2n","58","","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato- κ^2^S,S')tin(IV)]","","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C22 H52 Cl6 N2 O2 S4 Sn6 -","- C44 H104 Cl12 N4 O4 S8 Sn12 -","2","0.25","LR2051","Rodríguez, Nicolás; Brandão, Pedro F. B.; Okio, Coco K. Y. A.","Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato-κ^2^S,S')tin(IV)]","Acta Crystallographica Section E","2012","68","5","m672","","10.1107/S1600536812017485","","","0.71073","MoKα","","0.0348","0.0284","","","0.0637","0.0661","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234734","10.1933","0.0012","13.6224","0.0016","12.5249","0.0015","90","","105.409","0.002","90","","1676.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin- 4(3H)-one] ethanol disolvate","","- C36 H40 N6 O6 -","- C36 H40 N6 O6 -","- C72 H80 N12 O12 -","2","0.5","LR2054","Li, Li; Qu, Yong-Nian; Gong, Jian; Hu, Yang-Gen","3,3'-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate","Acta Crystallographica Section E","2012","68","5","o1282","o1283","10.1107/S160053681201375X","","","0.71073","MoKα","","0.0665","0.0542","","","0.143","0.1509","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234735","17.112","0.003","11.135","0.002","12.126","0.002","90","","104.85","0.03","90","","2233.3","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[tetraaquacopper(II)]-μ-4,4'bipyridyl- κ^2^N:N'] tetrafluoridosuccinate tetrahydrate]","","- C14 H24 Cu F4 N2 O12 -","- C14 H24 Cu F4 N2 O12 -","- C56 H96 Cu4 F16 N8 O48 -","4","0.5","MW2062","Yu, Guo-Jun; Xu, Lan-Ping; Qin, Lan; Han, Lei","catena-Poly[[[tetraaquacopper(II)]-μ-4,4'-bipyridyl-κ^2^N:N'] tetrafluoridosuccinate tetrahydrate]","Acta Crystallographica Section E","2012","68","5","m598","","10.1107/S1600536812014948","","","0.71073","MoKα","","0.0415","0.0271","","","0.0577","0.085","","","","","","1.282","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234736","8.6644","0.0015","10.959","0.002","15.856","0.003","94.241","0.01","101.501","0.009","95.204","0.01","1462.7","0.5","90","0.5","90","2","","","","","","","","4","P -1","-P 1","2","","(E)-3,3',4,4',7,7',8,8'-Octamethyl-2H,2'H-1,1'- bi(cyclopenta[fg]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate","","- C37 H26 Cl2 O6 -","- C37 H26 Cl2 O6 -","- C74 H52 Cl4 O12 -","2","1","MW2064","McCandless, Gregory T.; Sygula, Andrzej; Rabideau, Peter W.; Watkins, Steven F.; Fronczek, Frank R.","(E)-3,3',4,4',7,7',8,8'-Octamethyl-2H,2'H-1,1'-bi(cyclopenta[fg]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","o1458","o1459","10.1107/S1600536812016091","","","0.71073","MoKα","","0.0691","0.0448","","","","0.1139","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234737","25.079","0.004","8.1963","0.0007","18.397","0.003","90","","131.77","0.01","90","","2820.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(2-Chlorobenzoyl)-4-methylbenzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","NC2273","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chlorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1403","","10.1107/S1600536812015681","","","0.71073","MoKα","","0.1204","0.0709","","","0.0995","0.1147","","","","","","1.159","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234738","13.6286","0.0005","6.4269","0.0002","14.129","0.0005","90","","116.937","0.002","90","","1103.29","0.07","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis[4-(tert-butylsulfanyl)phenyl]buta-1,3-diyne","","- C24 H26 S2 -","- C24 H26 S2 -","- C48 H52 S4 -","2","0.5","NC2274","Seidel, Nadine; Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","1,4-Bis[4-(tert-butylsulfanyl)phenyl]buta-1,3-diyne","Acta Crystallographica Section E","2012","68","5","o1543","","10.1107/S1600536812017710","","","0.71073","MoKα","","0.0469","0.0339","","","0.0823","0.0909","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234739","20.047","0.004","9.592","0.002","13.67","0.003","90","","117.81","0.002","90","","2325","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~3~-5-azaniumylisophthalato)(μ-oxalato)neodymium(III)]","","- C10 H8 N Nd O9 -","- C10 H8 N Nd O9 -","- C80 H64 N8 Nd8 O72 -","8","1","NG5259","Yin, Xia; Xiao, Tian-Tian; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Poly[aqua(μ~3~-5-azaniumylisophthalato)(μ-oxalato)neodymium(III)]","Acta Crystallographica Section E","2012","68","5","m537","","10.1107/S1600536812013554","","","0.71073","MoKα","","0.0312","0.0244","","","0.0534","0.0563","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234740","16.3722","0.0018","6.9543","0.0007","16.0422","0.0017","90","","118.684","0.002","90","","1602.4","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Dichloridobis(quinoline-κN)platinum(II)","","- C18 H14 Cl2 N2 Pt -","- C18 H14 Cl2 N2 Pt -","- C72 H56 Cl8 N8 Pt4 -","4","0.5","NG5260","Ha, Kwang","trans-Dichloridobis(quinoline-κN)platinum(II)","Acta Crystallographica Section E","2012","68","5","m536","","10.1107/S1600536812013608","","","0.71073","MoKα","","0.0661","0.0339","","","0.0699","0.0795","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234741","33.688","0.0015","4.7962","0.0003","12.3337","0.0006","90","","90","","90","","1992.81","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,4-Bis[4-(methoxycarbonyl)benzyl]-1H-1,2,4-triazol-4-ium bromide","","- C20 H20 Br N3 O4 -","- C20 H20 Br N3 O4 -","- C80 H80 Br4 N12 O16 -","4","1","NG5263","Guo, Wen-Jiao; Huang, Hua-Rong; Du, Zhi-Yun; Fang, Yan-Xiong; Zhang, Kun","1,4-Bis[4-(methoxycarbonyl)benzyl]-1H-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2012","68","5","o1553","","10.1107/S1600536812016728","","","1.5418","CuKα","","0.03","0.0271","","","0.0671","0.0693","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234742","7.8198","0.0011","8.9417","0.0013","12.3507","0.0019","85.325","0.012","72.84","0.012","80.411","0.012","813.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Iodido(tri-tert-butylphosphane-κP)gold(I)","","- C12 H27 Au I P -","- C12 H27 Au I P -","- C24 H54 Au2 I2 P2 -","2","1","NG5264","Sänger, Inge; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael","Iodido(tri-tert-butylphosphane-κP)gold(I)","Acta Crystallographica Section E","2012","68","5","m708","","10.1107/S1600536812018569","","","0.71073","MoKα","","0.0391","0.0375","","","0.095","0.0964","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234743","10.7858","0.0002","23.2456","0.0004","15.153","0.0003","90","","91.916","0.001","90","","3797.07","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^P,P'](η^5^- cyclopentadienyl)(dicyanamido-κN)ruthenium(II) dichloromethane monosolvate","","- C42 H35 Cl2 Fe N3 P2 Ru -","- C42 H35 Cl2 Fe N3 P2 Ru -","- C168 H140 Cl8 Fe4 N12 P8 Ru4 -","4","1","NK2142","Gao, Libin","[1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^P,P'](η^5^-cyclopentadienyl)(dicyanamido-κN)ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m560","","10.1107/S1600536812014274","","","0.71073","MoKα","","0.0755","0.05","","","0.0962","0.1109","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234744","10.3039","0.0004","24.9425","0.001","11.574","0.0004","90","","93.197","0.001","90","","2969.95","0.19","187","2","187","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(μ-L- lysinato-κ^3^N^1^,O^1^:O^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","","- C48 H67.2 N16 O18.6 Zn2 -","- C48 H67.2 N16 O18.6 Zn2 -","- C96 H134.4 N32 O37.2 Zn4 -","2","1","NK2149","Li, Shu-Qiang; Hu, Ning-Hai","Poly[[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(μ-L-lysinato-κ^3^N^1^,O^1^:O^1'^)dizinc(II)] tetranitrate 0.6-hydrate dimethylformamide disolvate]","Acta Crystallographica Section E","2012","68","5","m633","m634","10.1107/S1600536812016121","","","0.71073","MoKα","","0.0464","0.0414","","","0.1032","0.1067","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234745","5.2545","0.0011","7.0617","0.0014","16.469","0.003","97.39","0.03","92.96","0.05","106.05","0.03","580","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3-Carboxyphenyl)pyridinium nitrate","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C24 H20 N4 O10 -","2","1","PK2401","Tang, Long; Wu, Ya-Pan; Fu, Feng; Zhang, Zhu-Lian; Guo, Hai-Kang","4-(3-Carboxyphenyl)pyridinium nitrate","Acta Crystallographica Section E","2012","68","5","o1322","","10.1107/S1600536812013918","","","0.71073","MoKα","","0.0773","0.0498","","","0.1125","0.1265","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234746","8.4289","0.0008","15.1128","0.0014","13.4196","0.0013","90","","104.077","0.001","90","","1658.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloridobis[2-(1-hydrazinylideneethyl)pyrazine-κN^1^]zinc","","- C12 H16 Cl2 N8 Zn -","- C12 H16 Cl2 N8 Zn -","- C48 H64 Cl8 N32 Zn4 -","4","1","PK2404","Liang, Li-li; Li, Meng; Liu, Jia-cheng; Wei, Yun","Dichloridobis[2-(1-hydrazinylideneethyl)pyrazine-κN^1^]zinc","Acta Crystallographica Section E","2012","68","5","m710","","10.1107/S1600536812016418","","","0.71073","MoKα","","0.0375","0.029","","","0.0743","0.0781","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234747","9.826","0.002","13.29","0.003","14.698","0.003","73.22","0.03","83.32","0.03","89.79","0.03","1824.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ~3~-3,5- dicarboxybenzoato-κ^3^O^1^:O^3^:O^5^)bis(μ~3~-5- carboxybenzene-1,3-dicarboxylato- κ^3^O^1^:O^3^:O^5^)tetrakis(methylformamide- κO)trimanganese(II)] dimethylformamide tetrasolvate]","","- C60 H78 Mn3 N8 O34 -","- C60 H78 Mn3 N8 O34 -","- C60 H78 Mn3 N8 O34 -","1","0.5","PK2407","Lei, Jing-Wei; Xie, Cai-Xia; Yang, Huai-xia","Poly[[diaquabis(μ~3~-3,5-dicarboxybenzoato-κ^3^O^1^:O^3^:O^5^)bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^3^O^1^:O^3^:O^5^)tetrakis(methylformamide-κO)trimanganese(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2012","68","5","m697","m698","10.1107/S1600536812017734","","","0.71073","MoKα","","0.0737","0.0579","","","0.1086","0.1162","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234748","8.329","0.0017","23.141","0.005","8.6692","0.0017","90","","90.93","0.03","90","","1670.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","1","PV2523","Yang, Yanchun; Yu, Youzhu; Zhu, Changjin","2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid","Acta Crystallographica Section E","2012","68","5","o1364","","10.1107/S1600536812015942","","","0.71073","MoKα","","0.045","0.0394","","","0.103","0.1084","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234749","20.3651","0.0004","7.43162","0.00016","19.4049","0.0004","90","","91.0792","0.0018","90","","2936.33","0.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-8-cyclopentyloxy-7-methoxy-2H-chromen-2-one monohydrate","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C120 H152 N8 O40 -","8","2","PV2524","Ding, Man-Hua; Jiang, Xiao-Ping","4-Amino-8-cyclopentyloxy-7-methoxy-2H-chromen-2-one monohydrate","Acta Crystallographica Section E","2012","68","5","o1397","","10.1107/S160053681201450X","","","1.54184","CuKα","","0.0582","0.0539","","","0.1894","0.1931","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234750","6.8289","0.0006","7.0433","0.0006","26.618","0.003","90","","92.335","0.004","90","","1279.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2E,6R,7aR)-1,6-Dihydroxy-2- (4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C56 H56 N8 O20 -","4","2","PV2525","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2E,6R,7aR)-1,6-Dihydroxy-2-(4-nitrobenzylidene)-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1570","o1571","10.1107/S1600536812018235","","","1.54178","CuKα","","0.0255","0.025","","","0.0664","0.0673","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234751","6.5007","0.0003","13.6783","0.0007","13.8382","0.0007","90","","90","","90","","1230.47","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxy- 2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","PV2526","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxy-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1572","","10.1107/S1600536812018223","","","1.54178","CuKα","","0.037","0.0368","","","0.0971","0.0976","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234752","9.5352","0.0003","14.8809","0.0004","15.08","0.0004","61.65","0.001","82.153","0.002","71.344","0.002","1783.86","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","2","PV2527","Jagadeesan, G.; Sethusankar, K.; Selvakumar, P.; Thennarasu, S.; Mandal, A. B.","Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate","Acta Crystallographica Section E","2012","68","5","o1525","o1526","10.1107/S1600536812017084","","","0.71073","MoKα","","0.0867","0.0517","","","0.1583","0.1808","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234753","9.8709","0.0005","6.6606","0.0003","18.6128","0.0009","90","","105.249","0.001","90","","1180.63","0.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Methoxybenzylidene)amino]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","PV2528","Aslam, M.; Anis, I.; Afza, N.; Hussain, M. T.; Yousuf, S.","2-[(2-Methoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2012","68","5","o1447","","10.1107/S1600536812016224","","","0.71073","MoKα","","0.0541","0.0388","","","0.0908","0.0998","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234754","11.515","0.002","7.3687","0.0016","20.049","0.004","90","","90.96","0.004","90","","1700.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","PV2529","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2012","68","5","o1555","","10.1107/S1600536812017679","","","0.71073","MoKα","","0.0914","0.0626","","","0.1655","0.2036","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234755","8.3747","0.0017","13.772","0.003","12.153","0.002","90","","93.89","0.03","90","","1398.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II)","","- C8 H15 Cd Cl4 N3 -","- C8 H15 Cd Cl4 N3 -","- C32 H60 Cd4 Cl16 N12 -","4","1","PV2531","Zhang, Yi; Zhu, Bo Han","1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II)","Acta Crystallographica Section E","2012","68","5","m687","","10.1107/S1600536812017801","","","0.71073","MoKα","","0.0304","0.0261","","","0.0572","0.0586","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234756","20.5744","0.0018","14.8742","0.0013","14.1594","0.0012","90","","109.123","0.001","90","","4094.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1,10-phenanthrolin-1-ium) hexacyanidoferrate(III) ethanol monosolvate trihydrate","","- C44 H39 Fe N12 O4 -","- C44 H39 Fe N12 O4 -","- C176 H156 Fe4 N48 O16 -","4","1","PV2532","Liu, Xiao-Qing; Yu, Deng-Yong; Yuan, Ai-Hua","Tris(1,10-phenanthrolin-1-ium) hexacyanidoferrate(III) ethanol monosolvate trihydrate","Acta Crystallographica Section E","2012","68","5","m701","","10.1107/S1600536812017990","","","0.71073","MoKα","","0.0799","0.0417","","","0.0965","0.1151","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234757","4.9969","0.0015","14.498","0.004","16.109","0.005","90","","90","","90","","1167","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","PV2536","Hou, Ze-Feng; Feng, Juan; Liu, Jing-Tian; Zhen, Xiao-Li; han, Jian-Rong han","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","Acta Crystallographica Section E","2012","68","5","o1516","","10.1107/S160053681201728X","","","0.71073","MoKα","","0.0357","0.0266","","","0.0584","0.0605","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234758","23.081","0.003","23.081","0.003","8.969","0.0018","90","","90","","120","","4137.9","1.1","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5- dicarboxylato)trineodymium(III)] monohydrate]","","- C21 H14 N3 Nd3 O16 -","- C21 H12 N3 Nd3 O16 -","- C126 H72 N18 Nd18 O96 -","6","0.333333","QK2031","Zhang, Qing; Wang, Xing; Wang, Shen-Tang; Liu, Chun-Bo; Che, Guang-Bo","Poly[[tri-μ~3~-hydroxido-tris(μ~4~-pyridine-2,5-dicarboxylato)trineodymium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","5","m541","m542","10.1107/S160053681201286X","","","0.71073","MoKα","","0.0216","0.0188","","","0.0419","0.0425","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234759","9.4988","0.0019","6.0803","0.0012","12.109","0.002","90","","95.21","0.03","90","","696.5","0.2","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Hydroxyanilinium 3,5-dinitrobenzoate","","- C13 H11 N3 O7 -","- C13 H11 N3 O7 -","- C26 H22 N6 O14 -","2","1","QK2032","Zhao, Qun","2-Hydroxyanilinium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","5","o1535","","10.1107/S1600536812014973","","","0.71073","MoKα","","0.1144","0.0835","","","0.1998","0.2176","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234760","30.569","0.003","5.1845","0.0003","12.5191","0.0011","90","","112.408","0.007","90","","1834.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E,E)-N'-{4-[(2-Benzoylhydrazin-1- ylidene)methyl]benzylidene}benzohydrazide","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","QM2059","Karimian, Ramin; Hosseini-Monfared, Hassan; Bikas, Rahman; Arslan, N. Burcu; Kazak, Canan; Koroglu, Ahmet","(E,E)-N'-{4-[(2-Benzoylhydrazin-1-ylidene)methyl]benzylidene}benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1433","","10.1107/S1600536812014687","","","0.71073","MoKα","","0.1305","0.051","","","0.0636","0.0779","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234761","15.286","0.003","9.7849","0.0018","11.597","0.002","90","","107.433","0.003","90","","1654.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","biscarbamoyldisulfane","Bis(N-methyl-N-phenylcarbamoyl)disulfane","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","0.5","QM2060","Schroll, Alayne L.; Pink, Maren; Barany, George","Bis(N-methyl-N-phenylcarbamoyl)disulfane","Acta Crystallographica Section E","2012","68","5","o1550","","10.1107/S1600536812016030","","","0.71073","MoKα","","0.0504","0.0374","","","0.1009","0.1096","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234762","8.018","0.002","11.156","0.002","14.389","0.002","90","","91.773","0.002","90","","1286.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-N'-(3-nitrobenzylidene)benzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","QM2061","Hou, Jin-Long","4-Hydroxy-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1352","","10.1107/S1600536812014778","","","0.71073","MoKα","","0.0438","0.0348","","","0.0947","0.1076","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234763","6.9826","0.0003","10.0462","0.0005","11.8387","0.0007","102.998","0.005","99.037","0.005","104.367","0.004","763.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tizoxanide pyridine monosolvate","2-Hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide pyridine monosolvate","","- C15 H12 N4 O4 S -","- C15 H12 N4 O4 S -","- C30 H24 N8 O8 S2 -","2","1","QM2062","Zheng, Huaqin; Deng, Hui; Chen, Yunyun; Li, Ding","Tizoxanide pyridine monosolvate","Acta Crystallographica Section E","2012","68","5","o1453","o1454","10.1107/S1600536812016133","","","1.5418","CuKα","","0.0296","0.0282","","","0.0737","0.0749","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234764","9.6344","0.0004","11.1759","0.0006","13.4619","0.0008","80.324","0.005","87.103","0.004","76.36","0.004","1388.48","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-{(E)-[4-(4-Methoxyphenyl)butan-2-ylidene]amino}-3-methylthiourea","","- C13 H19 N3 O S -","- C13 H19 N3 O S -","- C52 H76 N12 O4 S4 -","4","2","QM2063","Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","1-{(E)-[4-(4-Methoxyphenyl)butan-2-ylidene]amino}-3-methylthiourea","Acta Crystallographica Section E","2012","68","5","o1461","o1462","10.1107/S160053681201611X","","","1.5418","CuKα","","0.0382","0.0365","","","0.0992","0.1006","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234765","11.3561","0.0016","8.9033","0.0013","11.5045","0.0016","90","","91.411","0.013","90","","1162.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(2-hydroxybenzylidene)-2-methyldithiocarbazate","","- C10 H12 N2 O S2 -","- C10 H12 N2 O S2 -","- C40 H48 N8 O4 S8 -","4","1","QM2064","Hazari, S. K. S.; Suarez, Sebastian; Ganguly, Biplab; Doctorovich, Fabio; G. Roy, Tapashi","Methyl 3-(2-hydroxybenzylidene)-2-methyldithiocarbazate","Acta Crystallographica Section E","2012","68","5","o1533","","10.1107/S160053681201731X","","","0.71073","MoKα","","0.079","0.0533","","","","0.1713","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234766","7.8168","0.0003","9.9342","0.0003","18.5202","0.0007","82.32","0.003","83.459","0.003","87.784","0.003","1415.58","0.09","175","","175","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13- benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate","","- C44 H70 Cl6 N10 Na2 O12 -","- C44 H70 Cl6 N10 Na2 O12 -","- C44 H70 Cl6 N10 Na2 O12 -","1","0.5","RK2333","Gilles, Arnaud; Barboiu, Mihail; Legrand, Yves-Marie; van der Lee, Arie","Bis[μ-1-hexyl-3-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea]bis(azidosodium) chloroform disolvate","Acta Crystallographica Section E","2012","68","5","m609","m610","10.1107/S1600536812015590","","","0.71073","MoKα","","0.0537","0.0388","","0.1141","0.1018","0.1141","","","","","","0.9099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234767","18.4179","0.0009","5.7697","0.0004","12.4403","0.0006","90","","90","","90","","1321.98","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-succinimidoanthracene","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","RK2341","Khorasani, Sanaz; Fernandes, Manuel A.","1-(Anthracen-1-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","5","o1503","","10.1107/S160053681201536X","","","0.71073","MoKα","","0.062","0.0409","","","0.0822","0.0882","","","","","","0.948","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234768","12.8172","0.0005","9.9215","0.0004","16.7155","0.0005","90","0.002","110.511","0.002","90","0.002","1990.89","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin- 3-yl](phenyl)methanone","","- C22 H15 Cl2 N O4 S -","- C22 H15 Cl2 N O4 S -","- C88 H60 Cl8 N4 O16 S4 -","4","1","RK2344","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Matloob; Akram, Muhammad; Parvez, Masood","[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl](phenyl)methanone","Acta Crystallographica Section E","2012","68","5","o1359","","10.1107/S160053681201481X","","","0.71073","MoKα","","0.0792","0.0567","","","0.1066","0.118","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234769","9.7569","0.0011","12.2303","0.001","10.4181","0.001","90","","113.72","0.007","90","","1138.2","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethoxybenzyl)-1H-pyrrole","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","RK2345","Li, Yueqing; Zhang, Xu; Huo, Shiyong; Huang, Wei; Zhao, Weijie","1-(3,5-Dimethoxybenzyl)-1H-pyrrole","Acta Crystallographica Section E","2012","68","5","o1372","","10.1107/S1600536812015024","","","0.71073","MoKα","","0.0549","0.0408","","","0.1294","0.1402","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234770","6.3202","0.0002","13.794","0.0004","15.8582","0.0006","90","","100.961","0.004","90","","1357.31","0.08","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-N-(3,4-dimethoxybenzyl)pyridin-2-amine","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","RK2346","Li, Jie; Lu, Lin-Yan; Shen, Wang-Xing; Shi, Jian-You","5-Bromo-N-(3,4-dimethoxybenzyl)pyridin-2-amine","Acta Crystallographica Section E","2012","68","5","o1405","","10.1107/S1600536812015796","","","0.7107","MoKα","","0.0354","0.0272","","","0.0561","0.0597","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234771","9.9434","0.0013","5.8472","0.0008","13.6387","0.0018","90","","95.36","0.002","90","","789.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone","","- C8 H8 N2 Se -","- C8 H8 N2 Se -","- C32 H32 N8 Se4 -","4","1","RK2347","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone","Acta Crystallographica Section E","2012","68","5","o1381","","10.1107/S1600536812013700","","","0.71073","MoKα","","0.0355","0.0274","","","0.0649","0.0675","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234772","7.6277","0.0003","16.2167","0.0007","11.799","0.0005","90","","92.419","0.002","90","","1458.19","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-Methyl 2-benzyl-3-o-tolylacrylate","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","RK2348","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","(E)-Methyl 2-benzyl-3-o-tolylacrylate","Acta Crystallographica Section E","2012","68","5","o1273","","10.1107/S1600536812013438","","","0.71073","MoKα","","0.0793","0.0454","","","0.1093","0.1268","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234773","11.1917","0.0008","11.7778","0.0009","12.1511","0.0009","93.572","0.003","115.911","0.003","114.134","0.003","1256.82","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (E)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2H- spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C56 H54 N2 O10 S2 -","2","1","RK2349","Sankar, Ulaganathan; Uma, R.; Sundaramoorthy, S.; Velmurugan, D.","Ethyl (E)-3-[1'-ethyl-2-oxo-4'-(phenylsulfonyl)-2H-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-yl]acrylate","Acta Crystallographica Section E","2012","68","5","o1401","","10.1107/S1600536812016042","","","0.71073","MoKα","","0.0548","0.0428","","","0.117","0.1273","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234774","8.939","0.0005","9.2187","0.0005","11.1486","0.0006","72.398","0.001","69.318","0.001","87.258","0.001","817.47","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Biquinoline-κ^2^N,N')dibromidopalladium(II)","","- C18 H12 Br2 N2 Pd -","- C18 H12 Br2 N2 Pd -","- C36 H24 Br4 N4 Pd2 -","2","1","RK2351","Ha, Kwang","(2,2'-Biquinoline-κ^2^N,N')dibromidopalladium(II)","Acta Crystallographica Section E","2012","68","5","m618","","10.1107/S1600536812015425","","","0.71073","MoKα","","0.0395","0.0283","","","0.0569","0.0698","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234775","16.005","0.003","18.953","0.004","14.811","0.003","90","","120.08","0.03","90","","3887.7","1.8","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","","- C20 H23 Cl N2 O3 -","- C20 H23 Cl N2 O3 -","- C160 H184 Cl8 N16 O24 -","8","2","RN2093","Zhong, Zhaojin; Li, Zhuorong; Gong, Ningbo; Li, Yanping","N-(4-Chlorophenyl)-4-methoxy-3-(propanamido)benzamide cyclohexane hemisolvate","Acta Crystallographica Section E","2012","68","5","o1480","","10.1107/S1600536812016480","","","1.54178","CuKα","","0.0457","0.0439","","","0.1333","0.1385","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234776","5.6402","0.0005","5.7745","0.0005","13.6223","0.0012","90","","97.371","0.001","90","","440","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,10-dithiatricyclo[7.3.0.0^3,7^]dodeca-1(9),3(7),5,11-tetraene-2,8-dione","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione","","- C10 H4 O2 S2 -","- C10 H4 O2 S2 -","- C20 H8 O4 S4 -","2","0.5","RN2094","Ramirez, Amanda L.; Chan, Benny C.; de Lill, Daniel T.","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione","Acta Crystallographica Section E","2012","68","5","o1428","","10.1107/S1600536812015826","","","0.71073","MoKα","","0.0802","0.0683","","","0.2274","0.2375","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234777","7.0054","0.0014","11.699","0.002","9.2947","0.0019","90","","104.15","0.03","90","","738.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Fluoro-1H-indole-3-carboxylic acid","","- C9 H6 F N O2 -","- C9 H6 F N O2 -","- C36 H24 F4 N4 O8 -","4","1","RN2099","Lou, Ming; Luo, Yang-Hui","6-Fluoro-1H-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","5","o1580","","10.1107/S1600536812016935","","","0.71073","MoKα","","0.0514","0.0427","","","0.1096","0.115","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234778","7.4009","0.0003","22.1125","0.001","11.3681","0.0005","90","","103.561","0.001","90","","1808.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-Methyl 2-({2-ethoxy-6-[(E)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","RN2100","Govindan, E.; Ganesh, G.; Srinivasan, J.; Bakthadoss, M.; SubbiahPandi, A.","(E)-Methyl 2-({2-ethoxy-6-[(E)-(hydroxyimino)methyl]phenoxy}methyl)-3-phenylacrylate","Acta Crystallographica Section E","2012","68","5","o1373","","10.1107/S1600536812014596","","","0.71073","MoKα","","0.0764","0.0527","","","0.1464","0.167","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234779","18.274","0.002","5.6052","0.0004","16.536","0.002","90","","116.224","0.016","90","","1519.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Ammonium butyric acid nitrate","1-carboxypropanaminium nitrate","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C32 H80 N16 O40 -","8","2","RU2030","Messai, Amel; Benali-Cherif, Rim; Jeanneau, Erwann; Benali-Cherif, Nourredine","Hydrogen bonding in 1-carboxypropanaminium nitrate","Acta Crystallographica Section E","2012","68","5","o1307","o1308","10.1107/S1600536812013682","","","1.5418","CuKα","","0.0427","0.0393","","","0.1051","0.1086","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234780","12.641","0.002","16.681","0.003","20.692","0.004","111.514","0.005","107.291","0.006","92.231","0.005","3821.6","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) bis[(1,10-phenanthroline-κ^2^N,N')tetrakis(thiocyanato- κN)chromate(III)] acetonitrile trisolvate monohydrate","","- C74 H51 Cr2 Fe N21 O S8 -","- C74 H51 Cr2 Fe N21 O S8 -","- C148 H102 Cr4 Fe2 N42 O2 S16 -","2","1","RU2031","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Volodymyr N.; Bon, Volodymyr V.","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) bis[(1,10-phenanthroline-κ^2^N,N')tetrakis(thiocyanato-κN)chromate(III)] acetonitrile trisolvate monohydrate","Acta Crystallographica Section E","2012","68","5","m531","m532","10.1107/S1600536812012949","","","0.71073","MoKα","","0.1148","0.0513","","","0.1075","0.1351","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234781","8.649","0.004","13.707","0.007","17.775","0.007","90","","119.051","0.017","90","","1842.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κO)bis(pyridine-2-aldoxime- κ^2^N,N')nickel(II)","","- C16 H18 N4 Ni O6 -","- C16 H18 N4 Ni O6 -","- C64 H72 N16 Ni4 O24 -","4","1","RU2032","Si, Youtao","Bis(acetato-κO)bis(pyridine-2-aldoxime-κ^2^N,N')nickel(II)","Acta Crystallographica Section E","2012","68","5","m554","","10.1107/S1600536812014377","","","0.71073","MoKα","","0.0599","0.0442","","","0.1046","0.1134","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234782","9.3628","0.0002","12.3134","0.0002","15.5597","0.0003","90","","105.996","0.001","90","","1724.39","0.06","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H- 1,2,4-benzothiadiazin-4-yl]acetic acid","","- C16 H12 Cl F3 N2 O4 S -","- C16 H12 Cl F3 N2 O4 S -","- C64 H48 Cl4 F12 N8 O16 S4 -","4","1","RZ2722","Yang, Yanchun; Guo, Yuhua; Zhu, Changjin","2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2,4-benzothiadiazin-4-yl]acetic acid","Acta Crystallographica Section E","2012","68","5","o1363","","10.1107/S1600536812014468","","","0.71073","MoKα","","0.0641","0.0473","","","0.1193","0.1307","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234783","7.351","0.002","22.781","0.007","8.559","0.003","90","","109.58","0.004","90","","1350.4","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(3-Bromoanilino)methyl]-1,2-benzothiazol-3(2H)-one","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","1","RZ2723","Wang, Xiang-Hui; Yang, Jian-Xin; Lin, Qiang; Chen, Jun-Hua","2-[(3-Bromoanilino)methyl]-1,2-benzothiazol-3(2H)-one","Acta Crystallographica Section E","2012","68","5","o1303","","10.1107/S1600536812012263","","","0.71073","MoKα","","0.0498","0.0315","","","0.0639","0.0685","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234784","8.6363","0.0017","9.887","0.002","16.666","0.003","77.15","0.03","84.72","0.03","71.82","0.03","1317.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis[2-(benzyliminomethyl)pyrrol-1-ido- κ^2^N,N']bis(dimethylamido-κN)titanium(IV)","","- C28 H34 N6 Ti -","- C28 H34 N6 Ti -","- C56 H68 N12 Ti2 -","2","1","RZ2726","Chen, Zhou; Liu, Yonglu; Li, Yahong; Hu, Bin","Bis[2-(benzyliminomethyl)pyrrol-1-ido-κ^2^N,N']bis(dimethylamido-κN)titanium(IV)","Acta Crystallographica Section E","2012","68","5","m573","","10.1107/S1600536812014365","","","0.71073","MoKα","","0.0468","0.0392","","","0.1166","0.121","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234785","24.912","0.011","10.757","0.005","14.925","0.007","90","","91.07","0.03","90","","3999","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate","","- C18 H19 F6 N2 O P -","- C18 H19 F6 N2 O P -","- C144 H152 F48 N16 O8 P8 -","8","1","RZ2727","Xue, Hua Yu; Wang, Shi Juan","4-[(2'-Cyanobiphenyl-4-yl)methyl]morpholin-4-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","5","o1382","","10.1107/S160053681201358X","","","0.71073","MoKα","","0.1171","0.0839","","","0.1981","0.2183","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234786","9.5876","0.0019","12.065","0.002","9.843","0.002","90","","103.51","0.03","90","","1107.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(pyridinium) naphthalene-1,5-disulfonate dihydrate","","- C20 H22 N2 O8 S2 -","- C20 H22 N2 O8 S2 -","- C40 H44 N4 O16 S4 -","2","0.5","RZ2728","Wei, Bin","Bis(pyridinium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","5","o1489","","10.1107/S1600536812016960","","","0.71073","MoKα","","0.0653","0.0562","","","0.1437","0.1503","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234787","8.8373","0.0002","20.1333","0.0005","13.7129","0.0003","90","","96.243","0.001","90","","2425.38","0.1","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[acenaphthylene- 1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione","","- C31 H22 F3 N O2 -","- C31 H22 F3 N O2 -","- C124 H88 F12 N4 O8 -","4","1","RZ2729","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","1'-Methyl-4'-[4-(trifluoromethyl)phenyl]dispiro[acenaphthylene-1,2'-pyrrolidine-3',2''-indane]-2,1''(1H)-dione","Acta Crystallographica Section E","2012","68","5","o1296","o1297","10.1107/S1600536812013645","","","0.71073","MoKα","","0.1229","0.0818","","","0.1692","0.1863","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234788","16.434","0.007","11.436","0.005","14.32","0.006","90","","104.31","0.007","90","","2607.8","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate]","","- C27 H17 Ag F6 N2 O4 -","- C27 H17 Ag F6 N2 O4 -","- C108 H68 Ag4 F24 N8 O16 -","4","1","RZ2731","Jiang, Xiu-Juan","catena-Poly[[silver(I)-μ-4,4'-bipyridine-κ^2^N:N'] 4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate]","Acta Crystallographica Section E","2012","68","5","m613","m614","10.1107/S1600536812015322","","","0.71073","MoKα","","0.0487","0.0332","","","0.0729","0.0795","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234789","9.9756","0.0002","18.0181","0.0003","9.8107","0.0002","90","","117.064","0.001","90","","1570.3","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3,4-Difluorophenyl)-2,2-diphenylacetamide","","- C20 H15 F2 N O -","- C20 H15 F2 N O -","- C80 H60 F8 N4 O4 -","4","1","RZ2732","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(3,4-Difluorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","5","o1349","o1350","10.1107/S1600536812014675","","","0.71073","MoKα","","0.0697","0.0518","","","0.1198","0.1303","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234790","10.443","0.002","23.239","0.005","14.494","0.005","90","","122.03","0.02","90","","2982","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2-methylpiperidinium) tetrachloridoferrate dichloride","","- C18 H42 Cl6 Fe N3 -","- C18 H42 Cl6 Fe N3 -","- C72 H168 Cl24 Fe4 N12 -","4","1","RZ2733","Xu, Qian; Cheng, Bao","Tris(2-methylpiperidinium) tetrachloridoferrate dichloride","Acta Crystallographica Section E","2012","68","5","m658","","10.1107/S1600536812017151","","","0.71073","MoKα","","0.1983","0.0769","","","0.1317","0.1704","","","","","","1.026","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234791","12.5133","0.0007","10.3779","0.0005","14.3044","0.0008","90","","106.766","0.003","90","","1778.63","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[5-(Adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}- N,N-dimethylethanamine","","- C17 H28 N4 S -","- C17 H28 N4 S -","- C68 H112 N16 S4 -","4","1","RZ2734","El-Emam, Ali A.; Lahsasni, Siham; Asiri, Hanadi H.; Quah, Ching Kheng; Fun, Hoong-Kun","2-{[5-(Adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine","Acta Crystallographica Section E","2012","68","5","o1356","","10.1107/S160053681201464X","","","1.54178","CuKα","","0.0705","0.0644","","","0.1795","0.1843","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234792","9.3588","0.0005","11.9452","0.0005","13.3136","0.0007","90","","90","","90","","1488.36","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(Biphenyl-4-yl)-tert-butanesulfinamide","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","RZ2735","Zhang, Binbin; Wang, Yan; Sun, Xiaofei; Wang, Wenguo; Zeng, Qingle","(R)-N-(Biphenyl-4-yl)-tert-butanesulfinamide","Acta Crystallographica Section E","2012","68","5","o1389","","10.1107/S1600536812015127","","","0.7107","MoKα","","0.06","0.047","","","0.088","0.0973","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234793","12.363","0.003","14.796","0.003","16.735","0.003","111.11","0.03","91.19","0.03","109.06","0.03","2665.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,5-dimethyl-1H-pyrazole-κN^2^)bis(3,3'',5,5''-tetramethyl- [1,1':3',1''-terphenyl]-2'-carboxylato-κO)iron(II) dichloromethane monosolvate","","- C57 H60 Cl2 Fe N4 O4 -","- C57 H60 Cl2 Fe N4 O4 -","- C114 H120 Cl4 Fe2 N8 O8 -","2","1","RZ2736","Jeon, Yeojin; Sivanesan, Dharmalingam; Yoon, Sungho","Bis(3,5-dimethyl-1H-pyrazole-κN^2^)bis(3,3'',5,5''-tetramethyl-[1,1':3',1''-terphenyl]-2'-carboxylato-κO)iron(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","5","m631","m632","10.1107/S1600536812015553","","","0.71073","MoKα","","0.0617","0.053","","","0.1436","0.1492","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234794","10.889","0.002","5.4502","0.001","30.532","0.005","90","","99.202","0.004","90","","1788.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(Biphenyl-4-ylcarbonyl)-3-(2-chloro-4-nitrophenyl)thiourea","","- C20 H14 Cl N3 O3 S -","- C20 H14 Cl N3 O3 S -","- C80 H56 Cl4 N12 O12 S4 -","4","1","RZ2737","Yusof, M. Sukeri M.; Yamin, Bohari M.; Ngah, Nurziana","1-(Biphenyl-4-ylcarbonyl)-3-(2-chloro-4-nitrophenyl)thiourea","Acta Crystallographica Section E","2012","68","5","o1485","","10.1107/S1600536812016686","","","0.71073","MoKα","","0.0596","0.0492","","","0.1305","0.1366","","","","","","1.16","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234795","9.1046","0.0004","19.8837","0.0008","12.0856","0.0005","90","","123.281","0.003","90","","1829.06","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-9H-β-carbolin-2-ium acetate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","RZ2738","Goh, Teik Beng; Mordi, Mohd Nizam; Mansor, Sharif Mahsufi; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","6-Methoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydro-9H-β-carbolin-2-ium acetate","Acta Crystallographica Section E","2012","68","5","o1483","","10.1107/S1600536812016753","","","0.71073","MoKα","","0.0886","0.0555","","","0.1187","0.1342","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234796","7.3806","0.0011","12.7836","0.0019","13.619","0.002","90","","90","","90","","1285","0.3","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","","- C6 H8 Ce Fe N6 O4 -","- C6 H8 Ce Fe N6 O4 -","- C24 H32 Ce4 Fe4 N24 O16 -","4","0.25","RZ2741","Yu, Deng-Yong; Liu, Xiao-Qing; Yuan, Ai-Hua","Poly[[diaquahexa-μ-cyanido-cerium(III)ferrate(III)] dihydrate]","Acta Crystallographica Section E","2012","68","5","i39","","10.1107/S1600536812016911","","","0.71073","MoKα","","0.0397","0.0374","","","0.0973","0.0983","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234797","8.1871","0.0016","11.352","0.002","11.378","0.002","84.53","0.03","73.15","0.03","74.02","0.03","972.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κO)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)","","- C12 H36 Ca O25 S6 W6 -","- C12 H36 Ca O25 S6 W6 -","- C12 H36 Ca O25 S6 W6 -","1","0.5","RZ2743","Zhang, Jinfang","Hexakis(dimethyl sulfoxide-κO)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)","Acta Crystallographica Section E","2012","68","5","m702","","10.1107/S1600536812018338","","","0.71073","MoKα","","0.0264","0.0225","","","0.0456","0.0465","","","","","","0.98","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234798","7.7899","0.0004","10.1254","0.0005","13.0136","0.0007","90","","91.156","0.002","90","","1026.25","0.09","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","All-cis-4,6-diamino-cyclohexane-1,2,3-triol dihydrochloride","1,3-diammonio-1,2,3-trideoxy-cis-inositol dichloride","","- C6 H16 Cl2 N2 O3 -","- C6 H16 Cl2 N2 O3 -","- C24 H64 Cl8 N8 O12 -","4","2","SJ5213","Neis, Christian; Merten, Günter J.; Altenhofer, Philipp; Hegetschweiler, Kaspar","Redetermination of 1,3-diammonio-1,2,3-trideoxy-cis-inositol dichloride","Acta Crystallographica Section E","2012","68","5","o1411","o1412","10.1107/S1600536812012366","","","0.71073","MoKα","","0.0176","0.0174","","","0.0471","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234799","5.7993","0.0008","13.934","0.002","11.2205","0.0016","90","","95.326","0.002","90","","902.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Creatininium 2-chloroacetate","2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium monochloroacetate","","- C6 H10 Cl N3 O3 -","- C6 H10 Cl N3 O3 -","- C24 H40 Cl4 N12 O12 -","4","1","SJ5215","Ali, A. Jahubar; Athimoolam, S.; Bahadur, S. Asath","Creatininium 2-chloroacetate","Acta Crystallographica Section E","2012","68","5","o1285","o1286","10.1107/S1600536812012068","","","0.71073","MoKα","","0.0429","0.0405","","","0.1132","0.1167","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234800","12.556","0.003","14.8","0.003","6.876","0.0014","90","","103.32","0.03","90","","1243.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chloro-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1H- 1,2,4-triazol-5(4H)-one","","- C10 H6 Cl F3 N4 O3 -","- C10 H6 Cl F3 N4 O3 -","- C40 H24 Cl4 F12 N16 O12 -","4","1","SJ5217","Yang, Li; Liu, Jun","1-(4-Chloro-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one","Acta Crystallographica Section E","2012","68","5","o1374","","10.1107/S1600536812013013","","","0.71073","MoKα","","0.0987","0.0677","","","0.1671","0.1847","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234801","9.1439","0.0002","18.7633","0.0004","13.271","0.0003","90","","109.899","0.001","90","","2140.96","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[1-phenyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver(I)","","- C24 H24 Ag Cl N2 -","- C24 H24 Ag Cl N2 -","- C96 H96 Ag4 Cl4 N8 -","4","1","SJ5223","Akkurt, Mehmet; Akkoç, Senem; Gök, Yetkin; Dağdemir, Yılmaz; Tahir, Muhammad Nawaz","Chlorido[1-phenyl-3-(2,3,5,6-tetramethylbenzyl)benzimidazol-2-ylidene]silver(I)","Acta Crystallographica Section E","2012","68","5","m590","m591","10.1107/S1600536812012998","","","0.71073","MoKα","","0.0764","0.0362","","","0.0675","0.0798","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234802","10.931","0.0016","13.668","0.002","15.541","0.002","69.283","0.002","88.854","0.002","77.476","0.002","2116","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κO)bis(3,5- dimethyl-1H-pyrazole-κN^2^)manganese(II)","","- C48 H38 F4 Mn N4 O4 -","- C48 H38 F4 Mn N4 O4 -","- C96 H76 F8 Mn2 N8 O8 -","2","1","SJ5226","Dharmalingam, Sivanesan; Jeon, Yeojin; Yoon, Sungho","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κO)bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)","Acta Crystallographica Section E","2012","68","5","m582","m583","10.1107/S1600536812014201","","","0.71073","MoKα","","0.0528","0.0469","","","0.1121","0.1175","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234803","13.4836","0.0006","21.27","0.001","16.1025","0.0006","90","","122.295","0.003","90","","3903.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^P:P']decacarbonyl- 1κ^3^C,2κ^3^C,3κ^4^C-triangulo-triruthenium(0)","","- C40 H32 O10 P2 Ru3 -","- C40 H32 O10 P2 Ru3 -","- C160 H128 O40 P8 Ru12 -","4","1","SJ5228","bin Shawkataly, Omar; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^P:P']decacarbonyl-1κ^3^C,2κ^3^C,3κ^4^C-triangulo-triruthenium(0)","Acta Crystallographica Section E","2012","68","5","m629","m630","10.1107/S1600536812014614","","","0.71073","MoKα","","0.0226","0.0188","","","0.0438","0.0458","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234804","6.491","0.003","12.351","0.002","22.803","0.003","90.707","0.002","96.201","0.002","90.66","0.002","1817.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl- κN}-5-methoxyphenolato-κO^1^)zinc","","- C13 H20 Cl2 N2 O2 Zn -","- C13 H20 Cl2 N2 O2 Zn -","- C52 H80 Cl8 N8 O8 Zn4 -","4","2","SJ5230","Pei, Ai-Tian","A triclinic polymorph of dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl-κN}-5-methoxyphenolato-κO^1^)zinc","Acta Crystallographica Section E","2012","68","5","m587","","10.1107/S1600536812014341","","","0.71073","MoKα","","0.0782","0.0547","","","0.1622","0.1805","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234805","9.769","0.002","13.041","0.003","13.251","0.003","75.558","0.002","78.745","0.002","76.527","0.002","1572.9","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","N'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2H-1,3-benzodioxole- 5-carbohydrazide","","- C15 H10 Br Cl N2 O4 -","- C15 H10 Br Cl N2 O4 -","- C60 H40 Br4 Cl4 N8 O16 -","4","2","SJ5231","Wei, Jiao; Ban, Hong-Yan; Sun, Xiao-Zhi","N'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2H-1,3-benzodioxole-5-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1336","o1337","10.1107/S160053681201433X","","","0.71073","MoKα","","0.0786","0.0482","","","0.1197","0.1372","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234806","7.539","0.0015","8.164","0.0016","13.132","0.003","94.75","0.03","96.48","0.03","116.46","0.03","710.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-nitrophenol","","- C6 H4 Cl N O3 -","- C6 H4 Cl N O3 -","- C24 H16 Cl4 N4 O12 -","4","2","SJ5233","Ren, Dong-mei","5-Chloro-2-nitrophenol","Acta Crystallographica Section E","2012","68","5","o1365","","10.1107/S1600536812014638","","","0.71073","MoKα","","0.0834","0.058","","","0.1524","0.1712","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234807","12.619","0.0002","13.15","0.0003","14.899","0.0004","75.9037","0.0011","67.7646","0.0011","74.5815","0.0019","2177.63","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42- hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate","","- C94 H126 N2 O18 -","- C94 H126 N2 O18 -","- C94 H126 N2 O18 -","1","0.5","SU2398","Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel","5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate","Acta Crystallographica Section E","2012","68","5","o1418","o1419","10.1107/S1600536812015735","","","0.71073","MoKα","","0.0871","0.0614","","","0.1644","0.1828","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234808","10.765","0.002","12.577","0.003","13.878","0.003","76.91","0.03","88.43","0.03","83.89","0.03","1819.7","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Carbonylbis(triphenylphosphane-κP)(η^2^-1-vinylpyrrolidin-2-one- κO)ruthenium(0)","","- C43 H39 N O2 P2 Ru -","- C43 H39 N O2 P2 Ru -","- C86 H78 N2 O4 P4 Ru2 -","2","1","SU2399","Ma, Si Jia; Niu, Po","Carbonylbis(triphenylphosphane-κP)(η^2^-1-vinylpyrrolidin-2-one-κO)ruthenium(0)","Acta Crystallographica Section E","2012","68","5","m608","","10.1107/S1600536812014766","","","0.71073","MoKα","","0.0276","0.0247","","","0.0694","0.0841","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234809","35.38","0.0012","10.452","0.001","18.507","0.0015","90","","111.463","0.002","90","","6369.2","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-N'-(5-Bromo-2-hydroxybenzylidene)- 4-(dimethylamino)benzohydrazide","","- C16 H16 Br N3 O2 -","- C16 H16 Br N3 O2 -","- C256 H256 Br16 N48 O32 -","16","2","SU2400","Wei, En-Yu","(E)-N'-(5-Bromo-2-hydroxybenzylidene)-4-(dimethylamino)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1304","","10.1107/S1600536812013785","","","0.71073","MoKα","","0.2294","0.0652","","","0.1299","0.1969","","","","","","0.936","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234810","10.963","0.003","16.328","0.004","17.797","0.005","90","","90","","90","","3185.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cis-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^- dioxaphospholan-2-yloxy)butan-2-olato- κ^2^O,P]oxido(triphenylphosphane-κP)rhenium(V)","","- C30 H39 Cl2 O5 P2 Re -","- C30 H39 Cl2 O5 P2 Re -","- C120 H156 Cl8 O20 P8 Re4 -","4","1","SU2403","Skarżyńska, Anna; Siczek, Miłosz; Gniewek, Andrzej","cis-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^-dioxaphospholan-2-yloxy)butan-2-olato-κ^2^O,P]oxido(triphenylphosphane-κP)rhenium(V)","Acta Crystallographica Section E","2012","68","5","m605","m606","10.1107/S1600536812015565","","","0.71073","MoKα","","0.0401","0.0262","","","0.0438","0.0455","","","","","","0.874","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234811","17.8216","0.0013","8.2702","0.0006","11.9282","0.0008","90","","91.001","0.003","90","","1757.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Butyl 4-(4-methylbenzenesulfonamido)benzoate","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","SU2404","Mustafa, Ghulam; Akkurt, Mehmet; Dağdemir, Yılmaz; Khan, Islam Ullah","Butyl 4-(4-methylbenzenesulfonamido)benzoate","Acta Crystallographica Section E","2012","68","5","o1541","","10.1107/S1600536812015413","","","0.71073","MoKα","","0.1064","0.0718","","","0.1948","0.2182","","","","","","1.046","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2234812","7.6177","0.0003","19.2728","0.0008","16.348","0.0007","90","","99.991","0.001","90","","2363.72","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-[1-(3-ethoxy-2-hydroxybenzyl)-2,3-dihydro-1H- benzimidazol-2-yl]phenol acetonitrile monosolvate","","- C26 H27 N3 O4 -","- C26 H27 N3 O4 -","- C104 H108 N12 O16 -","4","1","SU2405","Ha, Kwang","2-Ethoxy-6-[1-(3-ethoxy-2-hydroxybenzyl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","5","o1398","","10.1107/S1600536812015449","","","0.71073","MoKα","","0.125","0.0489","","","0.0974","0.129","","","","","","0.956","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234813","11.8322","0.0003","6.0853","0.0001","15.857","0.0003","90","","101.864","0.002","90","","1117.35","0.04","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","SU2406","Ye, Jia; Liu, Ya-Nan; Cheng, Yu","Methyl 5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate","Acta Crystallographica Section E","2012","68","5","o1537","","10.1107/S1600536812017576","","","1.54184","CuKα","","0.0453","0.0417","","","0.0943","0.0968","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234814","9.3091","0.0006","10.2687","0.0006","11.8353","0.0007","66.299","0.002","79.891","0.002","88.122","0.002","1018.96","0.11","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","(Acetato-κO)(2-bromo-6-{[3-(dimethylazaniumyl)propylimino- κN]methyl}phenolato-κO)(thiocyanato-κN)zinc","","- C15 H20 Br N3 O3 S Zn -","- C15 H20 Br N3 O3 S Zn -","- C30 H40 Br2 N6 O6 S2 Zn2 -","2","1","SU2407","Han, Cheng-Li","(Acetato-κO)(2-bromo-6-{[3-(dimethylazaniumyl)propylimino-κN]methyl}phenolato-κO)(thiocyanato-κN)zinc","Acta Crystallographica Section E","2012","68","5","m677","","10.1107/S1600536812017564","","","0.71073","MoKα","","0.0878","0.0724","","","0.1827","0.2009","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234815","14.596","0.002","6.2782","0.001","7.3018","0.0012","90","","90","","90","","669.11","0.18","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-Chloro-5-nitropyridin-4-amine","","- C5 H4 Cl N3 O2 -","- C5 H4 Cl N3 O2 -","- C20 H16 Cl4 N12 O8 -","4","0.5","SU2408","He, Jian-Ling","2-Chloro-5-nitropyridin-4-amine","Acta Crystallographica Section E","2012","68","5","o1540","","10.1107/S1600536812017643","","","0.71073","MoKα","","0.0326","0.0282","","","0.0792","0.0821","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234816","16.9133","0.0006","16.9133","0.0006","8.4451","0.0004","90","","90","","120","","2092.15","0.14","185","2","185","2","","","","","","","","4","P 61","P 61","169","","N-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","","- C15.33 H21.67 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","SU2409","Berger, Matthias; Bats, Jan W.; Auner, Norbert","N-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","Acta Crystallographica Section E","2012","68","5","o1565","","10.1107/S1600536812017527","","","0.71073","MoKα","","0.075","0.0581","","","0.1191","0.1246","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234817","14.2065","0.0007","6.8651","0.0003","22.4817","0.0011","90","","101.406","0.002","90","","2149.32","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2-Chlorophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Cl F2 O2 -","- C28 H19 Cl F2 O2 -","- C112 H76 Cl4 F8 O8 -","4","1","SU2410","Samshuddin, S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Betz, Richard; Gerber, Thomas; Hosten, Eric","(E)-3-(2-Chlorophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1538","o1539","10.1107/S1600536812017692","","","0.71073","MoKα","","0.0933","0.0636","","","0.1291","0.1406","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234818","15.281","0.0018","8.983","0.0008","11.875","0.0013","90","","109.58","0.003","90","","1535.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-tert-Butyl-5-chloro-3H-spiro[1,3-benzothiazole-2,1'- cyclohexane]","","- C16 H22 Cl N S -","- C16 H22 Cl N S -","- C64 H88 Cl4 N4 S4 -","4","1","SU2411","Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Dağdemir, Yılmaz; Tahir, Muhammad Nawaz","4'-tert-Butyl-5-chloro-3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]","Acta Crystallographica Section E","2012","68","5","o1542","","10.1107/S1600536812017539","","","0.71073","MoKα","","0.1","0.0515","","","0.1065","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234819","9.581","0.0004","7.0906","0.0003","22.3504","0.0008","90","","96.92","0.003","90","","1507.31","0.11","128","2","128","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-N-(2-oxidobenzylidene)pyridine-2- carbohydrazidato]bis[chlorido(methanol-κO)erbium(III)]","","- C28 H26 Cl2 Er2 N6 O6 -","- C28 H26 Cl2 Er2 N6 O6 -","- C56 H52 Cl4 Er4 N12 O12 -","2","0.5","TK5069","Yang, Hua","Bis[μ-N-(2-oxidobenzylidene)pyridine-2-carbohydrazidato]bis[chlorido(methanol-κO)erbium(III)]","Acta Crystallographica Section E","2012","68","5","m580","m581","10.1107/S1600536812013979","","","0.71073","MoKα","","0.0425","0.0266","","","0.0544","0.0592","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234820","12.4695","0.0012","5.5377","0.0005","17.0557","0.0017","90","","91.19","0.001","90","","1177.48","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua[2-(6-chloropyridin-3-yl)acetato-κO]sodium]- di-μ-aqua] monohydrate]","","- C7 H13 Cl N Na O6 -","- C7 H13 Cl N Na O6 -","- C28 H52 Cl4 N4 Na4 O24 -","4","1","TK5075","Mi, Yuwei; Sun, Dezhi; Zeng, Suyuan; Yan, Nana","catena-Poly[[[aqua[2-(6-chloropyridin-3-yl)acetato-κO]sodium]-di-μ-aqua] monohydrate]","Acta Crystallographica Section E","2012","68","5","m584","","10.1107/S1600536812014092","","","0.71073","MoKα","","0.05","0.0322","","","0.0719","0.0843","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234821","9.588","0.003","10.898","0.003","13.06","0.004","103.19","0.004","93.953","0.004","115.622","0.005","1176","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline","","- C26 H24 Br2 N2 O2 -","- C26 H24 Br2 N2 O2 -","- C52 H48 Br4 N4 O4 -","2","1","TK5077","Zong, Qian-Shou; Wu, Jian-Yi","N-(2-{[7-(2-Anilinoethoxy)-3,6-dibromonaphthalen-2-yl]oxy}ethyl)aniline","Acta Crystallographica Section E","2012","68","5","o1355","","10.1107/S1600536812014808","","","0.71075","MoKα","","0.0685","0.0418","","","0.0821","0.0878","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234822","6.03","0.003","8.971","0.005","14.023","0.008","90.945","0.006","95.205","0.005","97.862","0.005","748","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","TK5079","Huang, Liangzhu; Li, Youqiang; Gao, Dongmei; Du, Zhenting","3,4-Bis(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","5","o1328","","10.1107/S1600536812014158","","","0.71073","MoKα","","0.0762","0.0505","","","0.1316","0.1479","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234823","6.6523","0.0005","9.2005","0.0009","11.5294","0.0008","72.533","0.007","78.686","0.006","79.651","0.007","654.51","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","oxyresveratrol","4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol dihydrate","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","TK5080","Deng, Hui; He, Xixin; Xu, Yujuan; Hu, Xiaopeng","Oxyresveratrol from Mulberry as a dihydrate","Acta Crystallographica Section E","2012","68","5","o1318","o1319","10.1107/S1600536812014018","","","1.54178","CuKα","","0.0501","0.0423","","","0.1216","0.1411","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234824","12.4027","0.0005","8.3722","0.0004","19.7472","0.0008","90","","107.57","0.002","90","","1954.85","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-trans-5-Benzoyl-2-(1H-indol-3-yl)-4-phenyl-4,5- dihydrofuran-3-carbonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","TK5086","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","(±)-trans-5-Benzoyl-2-(1H-indol-3-yl)-4-phenyl-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","5","o1576","","10.1107/S1600536812018430","","","0.71073","MoKα","","0.0684","0.0416","","","0.1036","0.1173","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234825","9.3577","0.0002","9.55","0.0003","12.6946","0.0003","94.068","0.002","94.402","0.002","100.162","0.001","1109.24","0.05","90","0.5","90","0.5","101.3","","","","","","","2","P -1","-P 1","2","Dibenzo[a,e]-17,18-bis(1-methylethylidene) pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadeca-2(13),5(10),7,15-tetraene","25,26-Bis(propan-2- ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa- 2(21),3,5,7,9(14),11,15,17,19,23-decaene","","- C32 H28 -","- C32 H28 -","- C64 H56 -","2","1","TK5087","Cooper, Stefan M.; Nauman, Tamara R. Schaller; Fronczek, Frank R.; Watkins, Steven F.","25,26-Bis(propan-2-ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa-2(21),3,5,7,9(14),11,15,17,19,23-decaene","Acta Crystallographica Section E","2012","68","5","o1569","","10.1107/S1600536812018211","","","0.71073","MoKα","","0.0766","0.0518","","","0.1268","0.1399","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234826","9.3375","0.0016","9.7194","0.0016","14.214","0.003","90","","90","","90","","1290","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-4-Amino-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","TK5088","Shi, Zhong-Feng; Li, Jia-Ming","(E)-4-Amino-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1546","o1547","10.1107/S160053681201803X","","","0.71073","MoKα","","0.0334","0.0326","","","0.0839","0.0844","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234827","7.46","0.001","12.35","0.001","31.176","0.002","90","","90","","90","","2872.3","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-({2-[1-(2-Hydroxy-5- {[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]- 4-{[methyl(phenyl)amino]methyl}phenol","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C136 H152 N16 O8 -","4","0.5","VM2172","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","2-[1-({2-[1-(2-Hydroxy-5-{[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]-4-{[methyl(phenyl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","5","o1562","","10.1107/S1600536812017904","","","0.71073","MoKα","","0.1051","0.063","","","0.1814","0.2161","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234828","13.536","0.002","11.3031","0.0017","11.5316","0.0017","90","","90.093","0.002","90","","1764.3","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]","","- C12 H12 F10 N2 O Ta2 -","- C12 H12 F10 N2 O Ta2 -","- C48 H48 F40 N8 O4 Ta8 -","4","0.5","WM2602","Meng, Zhao-Hui; Feng, Yu-Quan; Chen, Xin-Feng","5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]","Acta Crystallographica Section E","2012","68","5","m561","","10.1107/S1600536812014742","","","0.71073","MoKα","","0.0317","0.0284","","","0.07","0.0723","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234829","8.019","0.0013","18.489","0.003","14.086","0.002","90","","104.551","0.002","90","","2021.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua[1-(1,10-phenanthrolin-2-yl-κ^2^N,N')-1H-pyrazol-3- amine-κN^2^](sulfato-κO)copper(II) methanol monosolvate dihydrate","","- C16 H21 Cu N5 O8 S -","- C16 H21 Cu N5 O8 S -","- C64 H84 Cu4 N20 O32 S4 -","4","1","WM2604","Yuan, Liang; Lian, Liu Shu; Hui, Chi Yan; Xia, Zhao Yan; Min, Shi Jing","Aqua[1-(1,10-phenanthrolin-2-yl-κ^2^N,N')-1H-pyrazol-3-amine-κN^2^](sulfato-κO)copper(II) methanol monosolvate dihydrate","Acta Crystallographica Section E","2012","68","5","m558","m559","10.1107/S1600536812014134","","","0.71073","MoKα","","0.0634","0.0471","","","0.1121","0.1185","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234830","25.379","0.002","11.6269","0.0009","20.86","0.003","90","","120.934","0.001","90","","5279.8","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis(methanesulfonato-κO)(5,10,15,20-tetraphenylporphyrinato- κ^4^N,N'',N'',N''')tin(IV) chloroform trisolvate","","- C49 H37 Cl9 N4 O6 S2 Sn -","- C49 H37 Cl9 N4 O6 S2 Sn -","- C196 H148 Cl36 N16 O24 S8 Sn4 -","4","0.5","WM2606","Singh, Atul P.; Kim, Hee-Joon","Bis(methanesulfonato-κO)(5,10,15,20-tetraphenylporphyrinato-κ^4^N,N',N'',N''')tin(IV) chloroform trisolvate","Acta Crystallographica Section E","2012","68","5","m626","","10.1107/S1600536812015875","","","0.71073","MoKα","","0.039","0.0329","","","0.0837","0.0879","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234831","7.4299","0.0001","6.2949","0.0001","8.9057","0.0001","90","","113.936","0.001","90","","380.702","0.009","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Dicobalt lead bis[orthophosphate(V)]hydroxide hydrate","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","","- Co2 H4 O10 P2 Pb -","- Co2 H4 O10 P2 Pb -","- Co4 H8 O20 P4 Pb2 -","2","0.5","WM2609","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Dicobalt(II) lead(II) hydrogenphosphate(V) phosphate(V) hydroxide monohydrate","Acta Crystallographica Section E","2012","68","5","i30","","10.1107/S1600536812014870","","","0.71073","MoKα","","0.0169","0.0163","","","0.0386","0.0388","","","","","","1.106","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234832","11.7184","0.0011","21.378","0.002","11.1464","0.0011","90","","99.058","0.001","90","","2757.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-{bis[(2- oxidobenzylidene)amino]methyl}phenolato)bis[(tetrahydrofuran)samarium(III)] tetrahydrofuran disolvate","","- C58 H62 N4 O10 Sm2 -","- C58 H62 N4 O10 Sm2 -","- C116 H124 N8 O20 Sm4 -","2","0.5","WM2610","Li, Li; Zhou, Yuan; Yuan, Fugen","Bis(μ-2-{bis[(2-oxidobenzylidene)amino]methyl}phenolato)bis[(tetrahydrofuran)samarium(III)] tetrahydrofuran disolvate","Acta Crystallographica Section E","2012","68","5","m603","m604","10.1107/S1600536812015759","","","0.71073","MoKα","","0.0402","0.0318","","","0.0782","0.0842","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234833","14.8931","0.0008","13.063","0.0005","17.1706","0.0009","90","","112.855","0.006","90","","3078.3","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{S-Benzyl 3-[(6-methylpyridin-2-yl-\ κN)methylidene]dithiocarbazato-κ^2^N^3^,S}zinc","","- C30 H28 N6 S4 Zn -","- C30 H28 N6 S4 Zn -","- C120 H112 N24 S16 Zn4 -","4","1","WM2612","Ravoof, Thahira B. S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","{S-Benzyl 3-[(6-methylpyridin-2-yl-κN)methylidene]dithiocarbazato-κ^2^N^3^,S}zinc","Acta Crystallographica Section E","2012","68","5","m534","m535","10.1107/S1600536812013529","","","0.71073","MoKα","","0.0462","0.0348","","0.0761","0.0697","0.0761","","","","","","0.9982","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234834","6.4438","0.0012","15.572","0.003","10.745","0.002","90","","90.395","0.003","90","","1078.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cerium aquahydroxidooctaoxidopentaborate nitrate dihydrate","","- B5 Ce H7 N O15 -","- B5 Ce H7 N O15 -","- B20 Ce4 H28 N4 O60 -","4","1","WM2613","Sun, Wei; Zhu, Teng-Teng; Zhao, Biao-Chun; Huang, Ya-Xi; Mi, Jin-Xiao","Redetermination of Ce[B~5~O~8~(OH)(H~2~O)]NO~3~·2H~2~O","Acta Crystallographica Section E","2012","68","5","i33","i34","10.1107/S1600536812016169","","","0.71073","MoKα","","0.0265","0.0255","","","0.06","0.0605","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234835","11.1952","0.0004","13.8545","0.0006","10.4651","0.0003","90","","90","","90","","1623.18","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido- κ^2^N,N'}bis(dimethylamido-κN)titanium(IV) toluene monosolvate","","- C33 H36 Cl2 N6 Ti -","- C33 H36 Cl2 N6 Ti -","- C66 H72 Cl4 N12 Ti2 -","2","0.5","WM2614","Chen, Zhou; Wu, Jian; Li, Yahong; Hu, Bin","Bis{2-[(4-chlorophenyl)iminomethyl]pyrrol-1-ido-κ^2^N,N'}bis(dimethylamido-κN)titanium(IV) toluene monosolvate","Acta Crystallographica Section E","2012","68","5","m596","m597","10.1107/S1600536812014961","","","0.71073","MoKα","","0.0399","0.0348","","","0.0987","0.1031","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234836","15.142","0.002","9.6734","0.0013","21.313","0.003","90","","107.445","0.003","90","","2978.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(1,10-phenanthroline- κ^2^N,N')manganese(II)]-{μ-4,4'-[(4- carboxybenzyl)nitrilo]dibenzoato- κ^4^O,O':O'',O'''}] monohydrate]","","- C34 H27 Mn N3 O8 -","- C34 H27 Mn N3 O8 -","- C136 H108 Mn4 N12 O32 -","4","1","WM2618","Hu, Jin-Song; Jing, Lei; Song, Xiao-Ming; He, Jie","catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')manganese(II)]-{μ-4,4'-[(4-carboxybenzyl)nitrilo]dibenzoato-κ^4^O,O':O'',O'''}] monohydrate]","Acta Crystallographica Section E","2012","68","5","m650","m651","10.1107/S1600536812016819","","","0.71073","MoKα","","0.0845","0.0602","","","0.1467","0.1558","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234837","5.53806","0.00004","10.50365","0.00008","10.2096","0.0001","90","","104.076","0.0007","90","","576.058","0.008","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Poly[[μ-(1-ammonioethane-1,1- diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]","","- C2 H12 Cl N Na2 O8 P2 -","- C2 H12 Cl N Na2 O8 P2 -","- C4 H24 Cl2 N2 Na4 O16 P4 -","2","0.5","WM2620","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-ammonioethane-1,1-diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]: a powder X-ray diffraction study","Acta Crystallographica Section E","2012","68","5","m699","m700","10.1107/S1600536812018077","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.33","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234838","12.0001","0.0003","12.0001","0.0003","12.0001","0.0003","90","","90","","90","","1728.04","0.07","293","2","293","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","trimanganese(II) dichromium(III) tris(germanate)","Trimanganese(II) dichromium(III) tris[orthogermanate(IV)]","","- Cr2 Ge3 Mn3 O12 -","- Cr2 Ge3 Mn3 O12 -","- Cr16 Ge24 Mn24 O96 -","8","0.0833333","WM2621","Lipp, Christian; Strobel, Sabine; Lissner, Falk; Niewa, Rainer","Garnet-type Mn~3~Cr~2~(GeO~4~)~3~","Acta Crystallographica Section E","2012","68","5","i35","","10.1107/S1600536812016832","","","0.71073","MoKα","","0.026","0.0251","","","0.0677","0.0681","","","","","","1.257","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234839","12.3544","0.0009","15.6411","0.0006","16.9333","0.001","69.52","0.005","87.516","0.005","89.446","0.005","3062.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","Bis{S-benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II)","","- C30 H28 N6 Ni S4 -","- C30 H28 N6 Ni S4 -","- C120 H112 N24 Ni4 S16 -","4","2","WM2622","Ravoof, Thahira Begum S. A.; Omar, Siti Aminah; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","Bis{S-benzyl 3-[(6-methylpyridin-2-yl)methylidene]dithiocarbazato}nickel(II)","Acta Crystallographica Section E","2012","68","5","m664","","10.1107/S1600536812017333","","","0.71073","MoKα","","0.0494","0.0376","","0.087","0.0799","0.0869","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234840","14.3496","0.0008","14.8499","0.0009","15.2256","0.0009","62.061","0.001","72.261","0.001","85.202","0.001","2723.3","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-N'-(adamantan-1-ylcarbonyl)-2- oxidobenzohydrazidato(3-)]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate","","- C59 H67 N9 Ni3 O8 -","- C59 H67 N9 Ni3 O8 -","- C118 H134 N18 Ni6 O16 -","2","1","XU5481","Wei, Han-Chang; Huang, Wan-Yun; Zhou, Xiang; Shi, Meng; Liang, Fu-Pei","Bis[μ-N'-(adamantan-1-ylcarbonyl)-2-oxidobenzohydrazidato(3{-})]tetrapyridinetrinickel(II) dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2012","68","5","m619","m620","10.1107/S1600536812013396","","","0.71073","MoKα","","0.0458","0.037","","","0.0941","0.0997","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234841","9.6742","0.0008","10.6187","0.0008","15.8542","0.0012","81.443","0.001","78.753","0.002","64.166","0.002","1434","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~- 5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]","","- C28 H23 Ce N4 O13 -","- C28 H23 Ce N4 O13 -","- C56 H46 Ce2 N8 O26 -","2","1","XU5485","Deng, Yi-Fang; Nie, Xue","Poly[[diaqua[μ~2~-3-carboxy-5-(pyridine-4-carboxamido)benzoato][μ~4~-5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","5","m530","","10.1107/S1600536812013402","","","0.71073","MoKα","","0.0348","0.0331","","","0.0851","0.0864","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234842","7.513","0.0015","26.712","0.005","14.97","0.005","90","","110.21","0.03","90","","2819.3","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)","","- C24 H32 Cl3 Cu N2 O6 Sm -","- C24 H32 Cl3 Cu N2 O6 Sm -","- C96 H128 Cl12 Cu4 N8 O24 Sm4 -","4","1","XU5492","Wang, Yan; Zhang, Qian; Yan, Peng-Fei; Hou, Guang-Feng; Li, Hong-Feng","Trichlorido{μ-6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dimethanolcopper(II)samarium(III)","Acta Crystallographica Section E","2012","68","5","m589","","10.1107/S1600536812014523","","","0.71073","MoKα","","0.0439","0.0379","","","0.0921","0.0957","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234843","12.7402","0.0019","6.9555","0.0011","10.7549","0.0016","90","","106.809","0.001","90","","912.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis[3-(1H-tetrazol-1-yl)propanoic acid-κN^4^]cadmium]- di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C10 H12 Cd N10 O4 S2 -","- C10 H12 Cd N10 O4 S2 -","- C20 H24 Cd2 N20 O8 S4 -","2","0.5","XU5497","Wang, Jian-Guo; Zhang, Yuan; Su, Zhong-Xing; Liu, Xiang","Poly[[bis[3-(1H-tetrazol-1-yl)propanoic acid-κN^4^]cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","Acta Crystallographica Section E","2012","68","5","m593","m594","10.1107/S1600536812014730","","","0.71073","MoKα","","0.0253","0.0209","","","0.0497","0.0519","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234844","8.5729","0.0013","17.555","0.003","20.427","0.003","90","","90","","90","","3074.2","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl- 1H-pyrazol-5(4H)-one","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","XU5499","Li, Li-Nan; Zhang, Wei-Guo; Huang, Shan-Shan; Li, Chuan-Xun; Wang, Shou-Yu","(Z)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","5","o1277","","10.1107/S1600536812013712","","","0.71073","MoKα","","0.0812","0.0488","","","0.1307","0.1528","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234845","5.4296","0.0005","19.7629","0.0014","6.8396","0.0005","90","","105.131","0.007","90","","708.48","0.1","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Dichloridobis(pyrazine-2-carboxamide-κN^4^)zinc(II)","","- C10 H10 Cl2 N6 O2 Zn -","- C10 H10 Cl2 N6 O2 Zn -","- C20 H20 Cl4 N12 O4 Zn2 -","2","0.5","XU5500","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dichloridobis(pyrazine-2-carboxamide-κN^4^)zinc(II)","Acta Crystallographica Section E","2012","68","5","m546","","10.1107/S1600536812013888","","","0.71073","MoKα","","0.0708","0.0446","","","0.0869","0.0929","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234846","14.347","0.0002","11.2122","0.0001","9.6852","0.0001","90","","107.556","0.001","90","","1485.41","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C64 H52 Br4 O8 S4 -","4","1","XU5502","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","5","o1298","","10.1107/S160053681201389X","","","0.71073","MoKα","","0.0498","0.0341","","","0.0799","0.0864","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234847","10.554","0.005","14.486","0.007","15.551","0.008","85.401","0.007","81.984","0.007","89.844","0.007","2347","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4- oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido- bis[chloridocopper(II)]","","- C100 H64 Cl4 Cu2 N18 O16 P6 -","- C100 H64 Cl4 Cu2 N18 O16 P6 -","- C100 H64 Cl4 Cu2 N18 O16 P6 -","1","0.5","XU5503","Wu, Xiang-Wen; Wang, Xiao-Yan; Ma, Jian-Ping; Dong, Yu-Bin","Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido-bis[chloridocopper(II)]","Acta Crystallographica Section E","2012","68","5","m648","m649","10.1107/S1600536812016285","","","0.71073","MoKα","","0.0811","0.0562","","","0.126","0.1387","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234848","7.5051","0.0003","10.5639","0.0004","21.6723","0.0009","90","","90","","90","","1718.25","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2-iodobenzoato-κO)cobalt(II)]- μ-aqua-μ-2-iodobenzoato-κ^2^O:O']","","- C14 H12 Co I2 O6 -","- C14 H12 Co I2 O6 -","- C56 H48 Co4 I8 O24 -","4","1","XU5504","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","catena-Poly[[aqua(2-iodobenzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodobenzoato-κ^2^O:O']","Acta Crystallographica Section E","2012","68","5","m601","m602","10.1107/S1600536812015115","","","0.71073","MoKα","","0.0202","0.0201","","","0.0509","0.051","","","","","","1.202","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234849","8.9685","0.0018","9.7305","0.0019","13.995","0.003","90","","102.14","0.03","90","","1194","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium chloride‒18-crown-6 (2/1)","","- C14 H34 Cl2 N6 O6 -","- C14 H34 Cl2 N6 O6 -","- C28 H68 Cl4 N12 O12 -","2","0.5","XU5505","Wei, Bin","Guanidinium chloride‒18-crown-6 (2/1)","Acta Crystallographica Section E","2012","68","5","o1490","","10.1107/S1600536812016959","","","0.71073","MoKα","","0.1996","0.0738","","","0.1634","0.22","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234850","25.3322","0.0019","11.21","0.0009","12.3721","0.0009","90","","97.917","0.001","90","","3479.9","0.5","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ-1,2-bis(4,4-dimethyl-4,5-dihydro- 1,3-oxazol-2-yl)ethane-κ^2^N:N'] perchlorate hemihydrate]","","- C24 H42 Ag2 Cl2 N4 O13 -","- C24 H42 Ag2 Cl2 N4 O13 -","- C96 H168 Ag8 Cl8 N16 O52 -","4","0.5","XU5506","Yeh, Chun-Wei; Huang, Fu-Chang; Lin, Shui-Chuan; Jong, Ay; Suen, Maw-Cherng","catena-Poly[[silver(I)-μ-1,2-bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)ethane-κ^2^N:N'] perchlorate hemihydrate]","Acta Crystallographica Section E","2012","68","5","m637","m638","10.1107/S1600536812016406","","","0.71073","MoKα","","0.0358","0.0291","","","0.085","0.0897","","","","","","1.228","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234851","8.262","0.0009","9.6859","0.001","18.661","0.002","85.413","0.001","89.262","0.001","65.084","0.001","1349.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmethyl)biphenyl-4-yl]methyl}- 1H-1,2,4-triazol-2-ium bis(3-carboxy-5-iodobenzoate)‒5-iodobenzene-3,5-dicarboxylic acid‒water (1/2/2)","","- C50 H40 I4 N6 O18 -","- C50 H40 I4 N6 O18 -","- C50 H40 I4 N6 O18 -","1","0.5","XU5507","Zhang, Kou-Lin; Deng, Ye; Ng, Seik Weng","1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmethyl)biphenyl-4-yl]methyl}-1H-1,2,4-triazol-2-ium bis(3-carboxy-5-iodobenzoate)‒5-iodobenzene-3,5-dicarboxylic acid‒water (1/2/2)","Acta Crystallographica Section E","2012","68","5","o1362","","10.1107/S1600536812014584","","","0.71073","MoKα","","0.0603","0.041","","","0.104","0.1162","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234852","10.4889","0.0011","15.7477","0.0016","9.9332","0.001","90","","97.664","0.008","90","","1626.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua(pyrazine-2-carboxamide- κ^2^N^1^,O)zinc]-μ-pyrazine-2-carboxamide- κ^3^N^1^,O:N^4^] dinitrate]","","- C10 H12 N8 O9 Zn -","- C10 H12 N8 O9 Zn -","- C40 H48 N32 O36 Zn4 -","4","1","XU5508","Shirvan, Sadif A.; Haydari Dezfuli, Sara","catena-Poly[[[aqua(pyrazine-2-carboxamide-κ^2^N^1^,O)zinc]-μ-pyrazine-2-carboxamide-κ^3^N^1^,O:N^4^] dinitrate]","Acta Crystallographica Section E","2012","68","5","m627","m628","10.1107/S1600536812016017","","","0.71073","MoKα","","0.1293","0.0761","","","0.0935","0.1031","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234853","9.5733","0.0009","15.0134","0.0014","15.9462","0.0015","90","","90","","90","","2291.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro- 3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl (R)-N-(1-phenylethyl)sulfamate","","- C20 H29 N O8 S -","- C20 H29 N O8 S -","- C80 H116 N4 O32 S4 -","4","1","XU5509","Xie, Meng; Shen, Si-Si; Chen, Bao-Feng; Sha, Yu","[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl (R)-N-(1-phenylethyl)sulfamate","Acta Crystallographica Section E","2012","68","5","o1581","","10.1107/S1600536812016704","","","0.71073","MoKα","","0.052","0.0409","","","0.094","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234854","6.8437","0.0003","13.3207","0.0005","17.9045","0.0007","90","","90","","90","","1632.23","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato- κ^4^N,O^2^,O^6^:O^6'^)] tetrahydrate]","","- C8 H20 Ce N O15 -","- C8 H20 Ce N O15 -","- C32 H80 Ce4 N4 O60 -","4","1","XU5510","Sharif, Shahzad; Khan, Islam Ullah; Zaheer, Samia; Ng, Seik Weng","catena-Poly[[[pentaaquacerium(III)]-μ-pyridine-2,4,6-tricarboxylato-κ^4^N,O^2^,O^6^:O^6'^] tetrahydrate]","Acta Crystallographica Section E","2012","68","5","m624","m625","10.1107/S1600536812015887","","","0.71073","MoKα","","0.0394","0.0331","","","0.0724","0.0775","","","","","","1.065","","","","has coordinates,has Fobs","194589","2020-10-21","18:00:00",""
"2234855","9.7379","0.0005","12.4797","0.0007","10.2392","0.0007","90","","93.129","0.005","90","","1242.47","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Anilinomethyl-5-chloro-1,3-benzoxazol-2(3H)-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","XU5511","Aydın, Abdullah; Soyer, Zeynep; Akkurt, Mehmet; Büyükgüngör, Orhan","3-Anilinomethyl-5-chloro-1,3-benzoxazol-2(3H)-one","Acta Crystallographica Section E","2012","68","5","o1544","o1545","10.1107/S1600536812017709","","","0.71073","MoKα","","0.0538","0.0428","","","0.101","0.1063","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234856","6.3043","0.0003","11.5256","0.0007","13.4905","0.0008","90","","90","","90","","980.23","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","","- C7 H16 Cl N O3 -","- C7 H16 Cl N O3 -","- C28 H64 Cl4 N4 O12 -","4","1","XU5512","Ng, Seik Weng","(R)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","Acta Crystallographica Section E","2012","68","5","o1416","","10.1107/S160053681201598X","","","0.71073","MoKα","","0.0286","0.0273","","","0.0707","0.0719","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234857","25.806","0.005","7.7081","0.0015","19.55","0.004","90","","104.27","0.03","90","","3768.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-methoxyanilinium) hexachloridobismuthate(III) chloride monohydrate","","- C28 H42 Bi Cl7 N4 O5 -","- C28 H42 Bi Cl7 N4 O5 -","- C112 H168 Bi4 Cl28 N16 O20 -","4","0.5","XU5513","Liu, Ming-Liang","Tetrakis(4-methoxyanilinium) hexachloridobismuthate(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","5","m652","","10.1107/S1600536812017096","","","0.71073","MoKα","","0.0498","0.0312","","","0.0604","0.065","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234858","15.1905","0.0005","5.4501","0.0002","19.7569","0.0009","90","","106","0.02","90","","1572.31","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-(5-Bromo-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop- 2-en-1-one","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","XU5515","Li, Guang-Bing; Li, Lu; Wang, Guo-Xi","(E)-1-(5-Bromo-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1446","","10.1107/S1600536812016327","","","0.71073","MoKα","","0.1294","0.0889","","","0.2483","0.2866","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234859","15.839","0.003","8.326","0.0017","9.425","0.0019","90","","101.29","0.03","90","","1218.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide","","- C12 H9 F3 N2 O2 -","- C12 H9 F3 N2 O2 -","- C48 H36 F12 N8 O8 -","4","1","XU5516","Wang, De-Cai; Qiu, Jiang-Kai; Zhu, Hai-Xi; Wei, Ping; Ou-Yang, Ping-Kai","5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide","Acta Crystallographica Section E","2012","68","5","o1450","","10.1107/S1600536812016467","","","0.71073","MoKα","","0.1257","0.0616","","","0.137","0.1637","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234860","6.6907","0.0001","10.0963","0.0002","13.2283","0.0003","90.284","0.001","91.192","0.001","99.709","0.001","880.57","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^O^2^,O^3^,O^7^)nickelate(II) hexahydrate","","- C30 H42 N4 Ni O16 S2 -","- C30 H42 N4 Ni O16 S2 -","- C30 H42 N4 Ni O16 S2 -","1","0.5","XU5517","Wang, Gui-Xian; Zhang, Qi-Wei; Zhang, Fan","Bis(2-aminobenzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^O^2^,O^3^,O^7^)nickelate(II) hexahydrate","Acta Crystallographica Section E","2012","68","5","m683","","10.1107/S1600536812017722","","","0.71073","MoKα","","0.0391","0.0319","","","0.0845","0.0887","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234861","8.1727","0.0015","13.681","0.002","9.5173","0.0015","90","","98.39","0.005","90","","1052.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","","- C17 H26 N2 O10 S2 -","- C17 H26 N2 O10 S2 -","- C34 H52 N4 O20 S4 -","2","0.5","XU5520","Gao, Shan; Ng, Seik Weng","Benzene-1,2-di(aminium) naphthalene-1,5-disulfonate methanol monosolvate trihydrate","Acta Crystallographica Section E","2012","68","5","o1574","","10.1107/S1600536812018284","","","0.71073","MoKα","","0.0687","0.0545","","","0.1573","0.1762","","","","","","1.133","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234862","8.0913","0.0016","8.1917","0.0016","9.8062","0.0018","71.182","0.005","65.95","0.005","79.945","0.005","561.12","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-aminopropan-1-aminium) naphthalene-1,5-disulfonate dihydrate","","- C16 H32 N4 O8 S2 -","- C16 H32 N4 O8 S2 -","- C16 H32 N4 O8 S2 -","1","0.5","XU5521","Gao, Shan; Ng, Seik Weng","Bis(3-aminopropan-1-aminium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","5","o1575","","10.1107/S1600536812018296","","","0.71073","MoKα","","0.0487","0.0441","","","0.1151","0.1267","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234863","10.442","0.004","12.666","0.006","6.803","0.004","90","","96.897","0.019","90","","893.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-acetato-μ~8~-(naphthalene-1,5-disulfonato)-dilead(II)]","","- C14 H12 O10 Pb2 S2 -","- C14 H12 O10 Pb2 S2 -","- C28 H24 O20 Pb4 S4 -","2","0.5","XU5522","Gao, Shan; Ng, Seik Weng","Poly[di-μ~3~-acetato-μ~8~-(naphthalene-1,5-disulfonato)-dilead(II)]","Acta Crystallographica Section E","2012","68","5","m707","","10.1107/S160053681201834X","","","0.71073","MoKα","","0.0321","0.0304","","","0.0748","0.0757","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234864","8.9354","0.0018","9.86","0.002","14.306","0.003","90","","101.39","0.03","90","","1235.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Guanidinium bromide‒18-crown-6 (2/1)","","- C14 H36 Br2 N6 O6 -","- C14 H36 Br2 N6 O6 -","- C28 H72 Br4 N12 O12 -","2","0.5","YK2049","Wang, Yu-feng","Guanidinium bromide‒18-crown-6 (2/1)","Acta Crystallographica Section E","2012","68","5","o1530","","10.1107/S1600536812017394","","","0.71073","MoKα","","0.0818","0.0529","","","0.115","0.127","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234865","7.43","0.0005","7.6019","0.0005","22.1933","0.0014","89.315","0.004","89.17","0.004","64.891","0.004","1134.93","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(5-Bromothiophen-2-yl)-5-[5-(10-ethylphenothiazin-3-yl)thiophen-2-yl]- 1,3,4-oxadiazole","","- C24 H16 Br N3 O S3 -","- C24 H16 Br N3 O S3 -","- C48 H32 Br2 N6 O2 S6 -","2","1","YK2050","Pan, Yu-Zhen; Wang, You-Gui; Liu, Jian-Hui; Sun, Li-Cheng","2-(5-Bromothiophen-2-yl)-5-[5-(10-ethylphenothiazin-3-yl)thiophen-2-yl]-1,3,4-oxadiazole","Acta Crystallographica Section E","2012","68","5","o1383","o1384","10.1107/S160053681201361X","","","0.71073","MoKα","","0.0563","0.0435","","","0.1275","0.1361","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234866","7.9411","0.0001","13.0312","0.0002","13.6564","0.0002","97.356","0.001","97.12","0.001","103.739","0.001","1343.87","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]- bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate]","","- C27 H25 O11 Sm -","- C27 H25 O11 Sm -","- C54 H50 O22 Sm2 -","2","1","ZJ2052","Guo, Jing-ke; Wen, Yi-Hang","catena-Poly[[[aqua[3-(3-hydroxyphenyl)prop-2-enoato]samarium(III)]-bis[μ~2~-3-(3-hydroxyphenyl)prop-2-enoato]] monohydrate]","Acta Crystallographica Section E","2012","68","5","m543","m544","10.1107/S1600536812013724","","","0.71073","MoKα","","","0.014","","","0.0365","0.0369","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234867","12.2491","0.0002","12.317","0.0003","13.1142","0.0002","104.854","0.001","112.943","0.001","102.798","0.001","1642.31","0.06","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamidato- κ^3^O,N^2^,S]nickel(II) dimethylformamide monosolvate","","- C33 H29 N9 Ni O3 S2 -","- C33 H29 N9 Ni O3 S2 -","- C66 H58 N18 Ni2 O6 S4 -","2","1","ZJ2062","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","Bis[2-(2-oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamidato-κ^3^O,N^2^,S]nickel(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","5","m538","m539","10.1107/S1600536812012834","","","0.71073","MoKα","","0.0583","0.0406","","","0.0972","0.1066","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234868","12.1078","0.0006","8.4057","0.0005","14.7022","0.0009","90","","105.541","0.003","90","","1441.6","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Chlorophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone","","- C15 H10 Cl N O4 S -","- C15 H10 Cl N O4 S -","- C60 H40 Cl4 N4 O16 S4 -","4","1","ZJ2065","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Matloob; Siddiqui, Waseeq Ahmad; Parvez, Masood","(2-Chlorophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone","Acta Crystallographica Section E","2012","68","5","o1326","","10.1107/S1600536812014171","","","0.71073","MoKα","","0.0965","0.0684","","","0.1203","0.1379","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234869","8.249","0.0016","16.136","0.003","10.15","0.002","90","","104.76","0.03","90","","1306.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2,4,6-Trimethyl-N-(pyridin-2-ylmethylidene)aniline","","- C15 H16 N2 -","- C15 H16 N2 -","- C60 H64 N8 -","4","1","ZJ2067","Dong, Yu-Wei; Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin","(E)-2,4,6-Trimethyl-N-(pyridin-2-ylmethylidene)aniline","Acta Crystallographica Section E","2012","68","5","o1427","","10.1107/S1600536812015905","","","0.71073","MoKα","","0.0765","0.0556","","","0.1764","0.2002","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234870","8.6806","0.0002","20.4319","0.0004","10.61","0.0002","90","","99.713","0.001","90","","1854.83","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C13","3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H- pyrazol-5(4H)-one","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C92 H80 N16 O4 -","4","1","ZJ2068","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Afolayan, Anthony J.; Hosten, Eric C.","3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","5","o1280","o1281","10.1107/S1600536812013463","","","0.71073","MoKα","","0.0476","0.0391","","","0.0998","0.1079","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234871","6.997","0.002","14.919","0.004","15.907","0.005","90","","101.176","0.004","90","","1629","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dimethyl-6-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","2","ZJ2069","Chen, Hu-Kui","2,4-Dimethyl-6-nitroaniline","Acta Crystallographica Section E","2012","68","5","o1392","","10.1107/S1600536812014547","","","0.71073","MoKα","","0.0758","0.0487","","","0.1197","0.1342","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234872","9.287","0.002","9.493","0.002","35.754","0.008","90","","95.683","0.004","90","","3136.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3',6'-Bis(ethylamino)-2',7'-dimethyl-2-{2-(E)-[(thiophen-2- yl)methylideneamino]ethyl}spiro[isoindoline-1,9'-xanthen]-3-one methanol monosolvate","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","ZJ2071","Li, Qing-yu; Guo, Rui; Xu, Zhi-hong","3',6'-Bis(ethylamino)-2',7'-dimethyl-2-{2-(E)-[(thiophen-2-yl)methylideneamino]ethyl}spiro[isoindoline-1,9'-xanthen]-3-one methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1556","","10.1107/S1600536812018181","","","0.71073","MoKα","","0.1117","0.0767","","","0.2166","0.2504","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234873","5.3284","0.0005","9.216","0.001","13.133","0.002","90","","94.22","0.01","90","","643.17","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Bis(acetato-κO)bis(2-aminoethanol- κ^2^N,O)nickel(II)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C16 H40 N4 Ni2 O12 -","2","0.5","ZL2465","Seifollahi Bazarjani, Mahdi; Foro, Sabine; Donner, Wolfgang; Gurlo, Aleksander; Riedel, Ralf","trans-Bis(acetato-κO)bis(2-aminoethanol-κ^2^N,O)nickel(II)","Acta Crystallographica Section E","2012","68","5","m567","m568","10.1107/S1600536812014237","","","0.71073","MoKα","","0.0541","0.0363","","","0.0857","0.093","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234874","7.9792","0.0016","12.516","0.003","8.711","0.0017","90","","113.84","0.03","90","","795.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~9~-citrato-cobalt(II)tetrasodium]","","- C12 H10 Co Na4 O14 -","- C12 H10 Co Na4 O14 -","- C24 H20 Co2 Na8 O28 -","2","0.5","ZL2468","Liu, Zhen; Tian, Ruijing; Mao, Rui; Cao, Xueyin; Wang, Fuxiang","Poly[di-μ~9~-citrato-cobalt(II)tetrasodium]","Acta Crystallographica Section E","2012","68","5","m679","m680","10.1107/S1600536812017606","","","0.71073","MoKα","","0.0595","0.0411","","","0.0677","0.0721","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234875","14.315","0.006","8.081","0.003","7.42","0.003","90","","104.705","0.007","90","","830.2","0.6","246","2","246","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Dichloridobis(2,4-dimethylaniline-κN)palladium(II)","","- C16 H22 Cl2 N2 Pd -","- C16 H22 Cl2 N2 Pd -","- C32 H44 Cl4 N4 Pd2 -","2","0.5","ZL2469","Pan, Yong; Guo, Hai-Fu; Ma, De-Yun; Lu, Kuan","trans-Dichloridobis(2,4-dimethylaniline-κN)palladium(II)","Acta Crystallographica Section E","2012","68","5","m592","","10.1107/S1600536812015279","","","0.71073","MoKα","","0.0391","0.0294","","","0.0699","0.0764","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234876","11.5698","0.0005","13.0393","0.0006","22.0393","0.001","90","","90","","90","","3324.9","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C136 H128 N32 O48 -","8","1","ZL2472","Ha, Kwang","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","Acta Crystallographica Section E","2012","68","5","o1399","","10.1107/S1600536812015504","","","0.71073","MoKα","","0.1135","0.0515","","","0.1074","0.1378","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234877","34.05","0.004","14.1831","0.001","7.8764","0.0006","90","","90","","90","","3803.8","0.6","291","2","291.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^O^2^:O^3^] [[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^O^2^:O^3^]]","","- C40 H32 Cl2 N4 O9 Zn2 -","- C40 H32 Cl2 N4 O9 Zn2 -","- C160 H128 Cl8 N16 O36 Zn8 -","4","1","ZQ2156","Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li","catena-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^O^2^:O^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^O^2^:O^3^]]","Acta Crystallographica Section E","2012","68","5","m574","m575","10.1107/S1600536812014006","","","0.7107","MOKα","","0.0769","0.0561","","","0.0964","0.1041","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234878","5.6208","0.0012","7.9828","0.0017","10.857","0.002","76.846","0.004","75.882","0.004","75.954","0.004","450.91","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate","","- C6 H9 N5 O4 -","- C6 H9 N5 O4 -","- C12 H18 N10 O8 -","2","1","ZQ2157","Narimani, Leila; Yamin, Bohari M.","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate","Acta Crystallographica Section E","2012","68","5","o1475","","10.1107/S1600536812016637","","","0.71073","MoKα","","0.0463","0.0405","","","0.108","0.113","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234879","7.9438","0.0019","14.225","0.003","14.895","0.003","100.114","0.003","94.421","0.004","100.524","0.004","1618.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6-Chloro-N^4^,N^4^-dimethylpyrimidine-2,4-diamine","","- C6 H9 Cl N4 -","- C6 H9 Cl N4 -","- C48 H72 Cl8 N32 -","8","4","ZQ2159","Pang, Yuan-Yuan; Yu, Kai; Sun, Bin; Guo, Dian-Shun","6-Chloro-N^4^,N^4^-dimethylpyrimidine-2,4-diamine","Acta Crystallographica Section E","2012","68","5","o1294","o1295","10.1107/S1600536812013517","","","0.71073","MoKα","","0.0914","0.0584","","","0.126","0.1358","","","","","","0.97","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234880","21.937","0.004","9.817","0.002","19.059","0.004","90","","109.85","0.03","90","","3860.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-Diethylamino-2-propylsulfanyl-3-(1H-1,2,4-triazol-1-yl)-4H- thiochromen-4-one","","- C18 H22 N4 O S2 -","- C18 H22 N4 O S2 -","- C144 H176 N32 O8 S16 -","8","1","ZQ2162","Li, Chen; Yu, Guang Yan; Tian, Xin; Li, Song; Xiao, Tao","7-Diethylamino-2-propylsulfanyl-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one","Acta Crystallographica Section E","2012","68","5","o1435","","10.1107/S1600536812015954","","","0.71073","MoKα","","0.0957","0.0623","","","0.1603","0.1805","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234881","7.7337","0.0015","11.58","0.002","15.26","0.003","90","","98.43","0.03","90","","1351.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(quinolin-8-yloxy)phthalic acid","2-Carboxy-6-(quinolin-1-ium-8-yloxy)benzoate","","- C17 H11 N O5 -","- C17 H11 N O5 -","- C68 H44 N4 O20 -","4","1","ZS2185","Cai, Li-Mao; Fang, Xin; Lin, Mei-Jin; Xie, Jin; Wang, Jun-Dong","2-Carboxy-6-(quinolin-1-ium-8-yloxy)benzoate","Acta Crystallographica Section E","2012","68","5","o1351","","10.1107/S1600536812013980","","","0.71073","MoKα","","0.0641","0.0582","","","0.1466","0.157","","","","","","1.265","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234882","14.325","0.003","13.448","0.003","19.914","0.004","90","","101.449","0.005","90","","3759.9","1.4","275","2","275","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-7,7',9,9'-Tetraphenyl-9a,9a'-bi(7,8,9,9a-tetrahydro-6aH- pentaleno[1,2,3-ij]naphthalen-8-one)","","- C54 H38 O2 -","- C54 H38 O2 -","- C216 H152 O8 -","4","1","ZS2187","Zhang, Xiangdong; Ye, Junwei; Gong, Weitao; Lin, Yuan; Ning, Guiling","rac-7,7',9,9'-Tetraphenyl-9a,9a'-bi(7,8,9,9a-tetrahydro-6aH-pentaleno[1,2,3-ij]naphthalen-8-one)","Acta Crystallographica Section E","2012","68","5","o1329","","10.1107/S1600536812014146","","","0.71073","MoKα","","0.135","0.0659","","","0.1246","0.1609","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234883","6.883","0.0014","23.029","0.005","13.291","0.003","90","","90","","90","","2106.7","0.8","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(N-methylacetamide) hydrobromide","(1-Hydroxyethylidene)(methyl)azanium bromide‒N-methylacetamide (1/1)","","- C6 H15 Br N2 O2 -","- C6 H15 Br N2 O2 -","- C48 H120 Br8 N16 O16 -","8","","ZS2188","Wei, Bin","(1-Hydroxyethylidene)(methyl)azanium bromide‒N-methylacetamide (1/1)","Acta Crystallographica Section E","2012","68","5","o1491","","10.1107/S1600536812016984","","","0.71073","MoKα","","0.081","0.0437","","","0.089","0.1007","","","","","","1.064","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234884","8.6367","0.0017","10.46","0.002","19.847","0.004","91.87","0.03","94.38","0.03","92.8","0.03","1784.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^N,N'}neodymium(III)","","- C36 H30 Cl3 N6 Nd O3 -","- C36 H30 Cl3 N6 Nd O3 -","- C72 H60 Cl6 N12 Nd2 O6 -","2","1","ZS2190","Yang, Hua","Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^N,N'}neodymium(III)","Acta Crystallographica Section E","2012","68","5","m578","m579","10.1107/S1600536812014055","","","0.71073","MoKα","","0.0255","0.0221","","","0.0554","0.0592","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234885","11.9735","0.0004","10.7539","0.0003","8.0162","0.0003","90","","106.5","0.004","90","","989.68","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis[2-(5-(pyridin-3-yl)-1,2,4-triazol-3-yl)pyrazine]copper(II)","Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κN)-1,2,4-triazol-1-ido- κN^1^]copper(II)","","- C22 H14 Cu N12 -","- C22 H14 Cu N12 -","- C44 H28 Cu2 N24 -","2","0.5","ZS2193","Cong, Lin-Lin; Kang, Min-Yan; Ji, Yu-Fei; Liu, Zhi-Liang","Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κN)-1,2,4-triazol-1-ido-κN^1^]copper(II)","Acta Crystallographica Section E","2012","68","5","m669","","10.1107/S1600536812016777","","","0.71073","MoKα","","0.0428","0.0326","","","0.0779","0.083","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234886","3.7219","0.0012","16.429","0.005","7.791","0.002","90","","97.167","0.006","90","","472.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-[4-(1H-Imidazol-1-yl)phenyl]-1H-tetrazole","","- C10 H8 N6 -","- C10 H8 N6 -","- C20 H16 N12 -","2","1","ZS2194","Tong, Shao-Wei; Song, Wen-Dong; Li, Shi-Jie; Miao, Dong-Liang; An, Jing-Bo","5-[4-(1H-Imidazol-1-yl)phenyl]-1H-tetrazole","Acta Crystallographica Section E","2012","68","5","o1274","","10.1107/S1600536812013670","","","0.71073","MoKα","","0.0495","0.0392","","","0.0906","0.1198","","","","","","1.347","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234887","6.846","0.0014","8.0065","0.0016","11.469","0.002","97.059","0.004","95.987","0.004","98.072","0.004","613","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-Ethoxycarbonyl-2-hydroxy-6-methoxy-4-methylbenzoic acid","","- C12 H14 O6 -","- C12 H14 O6 -","- C24 H28 O12 -","2","1","ZS2195","Deng, Yun-Xia; Guo, Tao; Xie, Hui; Pan, Sheng-Li","3-Ethoxycarbonyl-2-hydroxy-6-methoxy-4-methylbenzoic acid","Acta Crystallographica Section E","2012","68","5","o1420","","10.1107/S1600536812015012","","","0.71073","MoKα","","0.0845","0.0572","","","0.1576","0.1737","","","","","","0.91","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234888","14.918","0.003","4.922","0.001","20.928","0.004","90","","103.26","0.03","90","","1495.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rac-Methyl 2-(2-formyl-4-nitrophenoxy)hexanoate","","- C14 H17 N O6 -","- C14 H17 N O6 -","- C56 H68 N4 O24 -","4","1","ZS2196","Song, Jun-Song; Wang, De-Cai; He, Xue-Jun; Qiu, Jiang-Kai; Ou-yang, Ping-Kai","rac-Methyl 2-(2-formyl-4-nitrophenoxy)hexanoate","Acta Crystallographica Section E","2012","68","5","o1395","","10.1107/S1600536812015462","","","0.71073","MoKα","","0.1753","0.0759","","","0.1372","0.1719","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234889","11.26","0.002","12.786","0.003","9.67","0.0019","90","","100.65","0.03","90","","1368.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichloro-N-(4-methylphenyl)benzamide","2,6-Dichloro-N-(4-methylphenyl)benzamide","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C56 H44 Cl8 N4 O4 -","4","1","ZS2197","Wei, Peng-Fei; Hao, Ling-Yun; Yang, Xiao-Li; Ye, Yuan-Feng; Feng, Zhi-Qiang","2,6-Dichloro-N-(4-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","5","o1417","","10.1107/S1600536812015188","","","0.71073","MoKα","","0.1021","0.0533","","","0.1241","0.15","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234890","20.4168","0.0013","4.93","0.0003","15.547","0.0012","90","","111.29","0.003","90","","1458.08","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","0.5","ZS2198","Guieu, Samuel; Brandão, Paula; Rocha, João; Silva, Artur M. S.","Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)","Acta Crystallographica Section E","2012","68","5","o1404","","10.1107/S1600536812015760","","","0.71073","MoKα","","0.0435","0.0395","","","0.1071","0.1126","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234891","11.7704","0.0004","8.2809","0.0004","12.4652","0.0006","90","","108.151","0.002","90","","1154.52","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-Benzylchromen-2-one","3-Benzyl-2H-chromen-2-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","ZS2199","Li, Guo-Qiang; Li, Yao-Lan; Jiang, Tao; Jiang, Ren-Wang; Wang, Guo-Cai","3-Benzyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","5","o1504","","10.1107/S1600536812014298","","","0.710747","MoKα","","0.0435","0.0341","","","0.0864","0.0925","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234892","8.717","0.0014","9.585","0.0016","11.8524","0.0019","110.475","0.002","107.185","0.002","96.424","0.003","860.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2-tert-Butyl-4-chloro-5-[4-(2-fluoroethoxy)benzyloxy]pyridazin- 3(2H)-one","","- C17 H20 Cl F N2 O3 -","- C17 H20 Cl F N2 O3 -","- C34 H40 Cl2 F2 N4 O6 -","2","1","AA2046","Jing, Huihui; Mou, Tiantian; Zhang, Xianzhong","2-tert-Butyl-4-chloro-5-[4-(2-fluoroethoxy)benzyloxy]pyridazin-3(2H)-one","Acta Crystallographica Section E","2012","68","6","o1707","","10.1107/S1600536812020491","","","0.71073","MoKα","","0.0399","0.0364","","","0.0915","0.0938","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234893","16.75","0.002","9.7334","0.0013","19.385","0.003","90","","111.669","0.003","90","","2937.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Acetylacetonato-κ^2^O,O')carbonyl[dicyclohexyl(2,6- diisopropylphenyl)phosphane-κP]rhodium(I)","","- C30 H46 O3 P Rh -","- C30 H46 O3 P Rh -","- C120 H184 O12 P4 Rh4 -","4","1","AA2053","Davis, Wade L.; Mathobela, Sfiso D.; Meijboom, Reinout","(Acetylacetonato-κ^2^O,O')carbonyl[dicyclohexyl(2,6-diisopropylphenyl)phosphane-κP]rhodium(I)","Acta Crystallographica Section E","2012","68","6","m737","","10.1107/S1600536812018831","","","0.71073","MoKα","","0.0482","0.0428","","","","0.105","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234894","9.9546","0.0004","42.1921","0.0019","8.6133","0.0004","90","","90","","90","","3617.6","0.3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","N-(Anthracen-9-ylmethyl)adamantan-1-amine","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","1","AA2056","Fan, Wei-Qiang; Chen, Fu-Xiao","N-(Anthracen-9-ylmethyl)adamantan-1-amine","Acta Crystallographica Section E","2012","68","6","o1831","","10.1107/S1600536812022106","","","0.71073","MoKα","","0.0463","0.0389","","","0.0964","0.1035","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234895","12.1993","0.0014","8.2012","0.0009","33.453","0.004","90","","90","","90","","3346.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C136 H200 N24 O16 -","8","1","AA2057","Wang, Zhe-Qin; Ma, Yi","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","Acta Crystallographica Section E","2012","68","6","o1941","","10.1107/S1600536812023525","","","0.71073","MoKα","","0.0853","0.0726","","","0.2166","0.2305","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234896","12.0877","0.0003","8.73462","0.00015","17.3712","0.0004","90","","93.588","0.002","90","","1830.48","0.07","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,17-Dichloro-8,9,10,11-tetrahydro-19H- dibenzo[k,n][1,10,4,7]dioxadiazacyclopentadecine- 7,12(6H,13H)-dione","","- C19 H18 Cl2 N2 O4 -","- C19 H18 Cl2 N2 O4 -","- C76 H72 Cl8 N8 O16 -","4","1","AA2058","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","2,17-Dichloro-8,9,10,11-tetrahydro-19H-dibenzo[k,n][1,10,4,7]dioxadiazacyclopentadecine-7,12(6H,13H)-dione","Acta Crystallographica Section E","2012","68","6","o1698","o1699","10.1107/S1600536812020351","","","1.5418","CuKα","","0.0295","0.0292","","","0.0734","0.0737","","","","","","1.069","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234897","7.1285","0.0017","13.301","0.003","12.804","0.003","90","","90.54","0.004","90","","1214","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[chlorido[μ~4~-2,2'-(2-methyl-1H-benzimidazol-3-ium- 1,3-diyl)diacetato]zinc]","","- C12 H11 Cl N2 O4 Zn -","- C12 H11 Cl N2 O4 Zn -","- C48 H44 Cl4 N8 O16 Zn4 -","4","1","BG2452","Liu, Jia-Qin; Jiang, Zhen-Jü; Xu, Zhi-Hong; Zhang, Yan","Poly[chlorido[μ~4~-2,2'-(2-methyl-1H-benzimidazol-3-ium-1,3-diyl)diacetato]zinc]","Acta Crystallographica Section E","2012","68","6","m751","","10.1107/S1600536812020077","","","0.71073","MoKα","","0.0308","0.0265","","","0.0749","0.0776","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234898","7.39","0.004","9.385","0.005","10.587","0.006","106.618","0.007","97.489","0.006","101.098","0.009","676.9","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","6-Benzyloxy-2-phenylpyridazin-3(2H)-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","BG2457","Ju, Zhi-Yu; Li, Gong-Chun; Li, Chao; Wang, Jie; Yang, Feng-Ling","6-Benzyloxy-2-phenylpyridazin-3(2H)-one","Acta Crystallographica Section E","2012","68","6","o1646","","10.1107/S1600536812018776","","","0.71073","MoKα","","0.0496","0.0358","","","0.0677","0.0695","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234899","11.061","0.003","7.12","0.002","14.721","0.004","90","","97.638","0.003","90","","1149.1","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one","","- C11 H13 Br O S -","- C11 H13 Br O S -","- C44 H52 Br4 O4 S4 -","4","1","BG2458","Liu, Fei; Ren, Shi-Ying; Yang, Wei-Ji","2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one","Acta Crystallographica Section E","2012","68","6","o1759","","10.1107/S1600536812021472","","","0.71073","MoKα","","0.0455","0.0322","","","0.0683","0.073","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234900","11.981","0.005","13.226","0.005","25.946","0.01","90","","90","","90","","4111","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridocobaltate(II)","","- C12 H32 Cl4 Co N2 -","- C12 H32 Cl4 Co N2 -","- C96 H256 Cl32 Co8 N16 -","8","1","BG2461","Azadbakht, Reza; Hadadzadeh, Hassan; Amiri Rudbari, Hadi","Bis(triethylammonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","6","m859","","10.1107/S1600536812022441","","","0.71073","MoKα","","0.1367","0.0518","","","0.0904","0.1189","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234901","6.6999","0.0006","15.248","0.002","16.1195","0.0015","90","","90","","90","","1646.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Diethylamino-2-{(E)-[(3-iodophenyl)imino]methyl}phenol","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","BH2429","Vesek, Hilal; Kazak, Canan; Ağar, Erbil; Gümüş, Sümeyye","5-Diethylamino-2-{(E)-[(3-iodophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","6","o1963","","10.1107/S1600536812022556","","","0.71073","MoKα","","0.0556","0.037","","","0.0695","0.0735","","","","","","0.862","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234902","10.293","0.002","14.484","0.003","15.708","0.003","90","","90","","90","","2341.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxypyridinium p-toluenesulfonate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C96 H104 N8 O32 S8 -","8","1","BH2431","Jin, Yu","2-Hydroxypyridinium p-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1669","","10.1107/S1600536812019873","","","0.71073","MoKα","","0.0557","0.0455","","","0.1054","0.111","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234903","9.613","0.0001","18.9256","0.0002","15.9563","0.0002","90","","96.037","0.001","90","","2886.86","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-Aminoacridinium bis(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)ferrate(III) tetrahydrate","","- C27 H25 Fe N4 O12 -","- C27 H25 Fe N4 O12 -","- C108 H100 Fe4 N16 O48 -","4","1","BQ2350","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Eydizadeh, Ehsan; Yousefi, Zakieh; Molčanov, Krešimir","9-Aminoacridinium bis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)ferrate(III) tetrahydrate","Acta Crystallographica Section E","2012","68","6","m761","m762","10.1107/S1600536812020247","","","1.54184","CuKα","","","0.059","","","","0.1783","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234904","15.004","0.0012","5.9722","0.0003","9.3128","0.0008","90","","92.001","0.003","90","","833.98","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[({2-[(2-Hydroxy-5-methoxybenzylidene)amino]ethyl}imino)methyl]- 4-methoxyphenol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","BQ2353","Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Ouari, Kamel","2-[({2-[(2-Hydroxy-5-methoxybenzylidene)amino]ethyl}imino)methyl]-4-methoxyphenol","Acta Crystallographica Section E","2012","68","6","o1760","","10.1107/S1600536812018405","","","0.71073","MoKα","","0.0811","0.0541","","","0.1438","0.1666","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234905","14.593","0.004","11.288","0.003","17.828","0.005","90","","110.765","0.005","90","","2746","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea","","- C11 H12 Cl N3 O3 S -","- C11 H12 Cl N3 O3 S -","- C88 H96 Cl8 N24 O24 S8 -","8","2","BQ2354","Ngah, Nurziana; Kadir, Maisara; Yamin, Bohari M.; Yusof, M. Sukeri M.","1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea","Acta Crystallographica Section E","2012","68","6","o1801","","10.1107/S160053681202168X","","","0.71073","MoKα","","0.0608","0.0457","","","0.121","0.1328","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234906","8.616","0.002","9.077","0.002","10.796","0.003","73.725","0.014","86.656","0.015","76.177","0.016","787","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-Methylpyrrolidine-1-carbothioamide","","- C6 H12 N2 S -","- C6 H12 N2 S -","- C24 H48 N8 S4 -","4","2","BQ2355","Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran","N-Methylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","6","o1706","","10.1107/S1600536812020971","","","0.71073","MoKα","","0.1406","0.0787","","","0.1997","0.2618","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234907","9.2252","0.0004","17.6978","0.0008","12.8898","0.0004","90","","119.289","0.002","90","","1835.44","0.13","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2- en-1-yl)imino]-1,3-thiazolidin-4-one","","- C22 H22 N2 O S -","- C22 H22 N2 O S -","- C88 H88 N8 O4 S4 -","4","1","BQ2357","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(Z)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","6","o1796","o1797","10.1107/S1600536812021691","","","0.71073","MoKα","","0.0441","0.0353","","","0.0931","0.0999","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234908","8.5281","0.0003","25.3057","0.0012","9.4084","0.0004","90","","96.738","0.003","90","","2016.4","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(E)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","BQ2358","Afzal, Sadaf; Akhter, Zareen; Tahir, M. Nawaz","4-[(E)-({4-[(4-Aminophenyl)sulfonyl]phenyl}imino)methyl]phenol ethanol monosolvate","Acta Crystallographica Section E","2012","68","6","o1789","","10.1107/S1600536812021563","","","0.71073","MoKα","","0.104","0.0543","","","0.1191","0.138","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234909","16.696","0.0016","5.933","0.0003","13.524","0.0012","90","","117.804","0.003","90","","1184.99","0.17","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","Aquabis[N'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5-)- κ^2^N',O]sodium(I)","","- C20 H21 N4 Na O5 S4 -","- C20 H21 N4 Na O5 S4 -","- C40 H42 N8 Na2 O10 S8 -","2","0.5","BQ2359","Bouchameni, Chahra; Beghidja, Chahrazed; Beghidja, Adel; Boutebdja, Mehdi","Aquabis[N'-(1,3-dithiolan-2-ylidene)-2-hydroxybenzohydrazidato(0.5{-})-κ^2^N',O]sodium(I)","Acta Crystallographica Section E","2012","68","6","m827","m828","10.1107/S1600536812023239","","","0.71073","MoKα","","0.0618","0.0467","","","0.1042","0.1262","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234910","15.9798","0.0005","19.2968","0.0006","27.4387","0.0009","90","","90","","90","","8461","0.5","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato- κ^2^N,O^1^)cobalt(III)","","- C48 H48 Co N3 O6 -","- C48 H48 Co N3 O6 -","- C384 H384 Co8 N24 O48 -","8","1","BQ2360","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato-κ^2^N,O^1^)cobalt(III)","Acta Crystallographica Section E","2012","68","6","m803","m804","10.1107/S1600536812023033","","","0.71073","MoKα","","0.1041","0.0558","","","0.1073","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234911","7.188","0.004","9.282","0.005","10.026","0.005","109.31","0.02","90.019","0.012","104.066","0.013","610","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Sodium pentapotassium pentanickel tetra(diphosphate)","","- K5 Na Ni5 O28 P8 -","- K5 Na Ni5 O28 P8 -","- K5 Na Ni5 O28 P8 -","1","0.5","BR2200","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Sodium pentapotassium pentanickel tetra(diphosphate), NaK~5~Ni~5~(P~2~O~7~)~4~","Acta Crystallographica Section E","2012","68","6","i43","","10.1107/S160053681202017X","","","0.71073","MoKα","","0.0313","0.0267","","","0.0683","0.0713","","","","","","1.029","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234912","8.138","0.0002","8.6259","0.0002","16.7854","0.0006","90","","90","","90","","1178.29","0.06","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminoethanaminium iodide","","- C2 H9 I N2 -","- C2 H9 I N2 -","- C16 H72 I8 N16 -","8","1","BR2201","Kennedy, Alan R.; Okoth, Maurice O.","2-Aminoethanaminium iodide","Acta Crystallographica Section E","2012","68","6","o1731","","10.1107/S160053681202065X","","","0.71073","MoKα","","0.0218","0.0161","","","0.0342","0.0353","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234913","9.1517","0.0016","8.1737","0.0015","9.3147","0.0017","90","","98.86","0.003","90","","688.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipotassium diaquabis(diphosphato)triferrate(II)","","- Fe3 H4 K2 O16 P4 -","- Fe3 H4 K2 O16 P4 -","- Fe6 H8 K4 O32 P8 -","2","0.5","BR2202","Yang, Juan; Zhang, Xin; Liu, Biao; Sun, Wei; Huang, Ya-Xi","K~2~[Fe^II^~3~(P~2~O~7~)~2~(H~2~O)~2~]","Acta Crystallographica Section E","2012","68","6","i47","i48","10.1107/S1600536812021484","","","0.71073","MoKα","","0.0354","0.0319","","","0.0721","0.0741","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234914","5.4168","0.001","10.1048","0.0019","12.183","0.002","90","","100.199","0.003","90","","656.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","manganese(II) dibarium bis(hydrogenphosphate) bis(dihydrogenphosphate)","","- Ba2 H6 Mn O16 P4 -","- Ba2 H6 Mn O16 P4 -","- Ba4 H12 Mn2 O32 P8 -","2","0.5","BR2203","Sun, Wei; Sun, Li-Zhi; Zhu, Teng-Teng; Zhao, Biao-Chun; Mi, Jin-Xiao","MnBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~","Acta Crystallographica Section E","2012","68","6","i49","","10.1107/S1600536812022775","","","0.71073","MoKα","","0.0253","0.0245","","","0.0741","0.075","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234915","19.2845","0.0004","3.86753","0.00008","15.643","0.0003","90","","90","","90","","1166.71","0.04","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 2-(thiophene-2-carboxamido)benzoate","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C52 H44 N4 O12 S4 -","4","1","BT5852","Singh, Durga Prasad; Pratap, Seema; Butcher, Ray J.; Gupta, Sushil K.","Methyl 2-(thiophene-2-carboxamido)benzoate","Acta Crystallographica Section E","2012","68","6","o1765","","10.1107/S160053681202082X","","","1.54184","CuKα","","0.0344","0.0332","","","0.088","0.0901","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234916","8.8683","0.0002","9.3246","0.0002","11.9259","0.0003","75.2","0.002","76.453","0.002","65.142","0.001","856.04","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-2-({2-[(E)-(hydroxyimino)methyl]phenoxy}methyl)- 3-(4-methylphenyl)acrylate","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C38 H38 N2 O8 -","2","1","BT5884","Ganesh, G.; Srinivasan, J.; Govindan, E.; Bakthadoss, M.; SubbiahPandi, A.","Methyl (E)-2-({2-[(E)-(hydroxyimino)methyl]phenoxy}methyl)-3-(4-methylphenyl)acrylate","Acta Crystallographica Section E","2012","68","6","o1617","","10.1107/S1600536812019046","","","0.71073","MoKα","","0.0613","0.0452","","","0.1192","0.1315","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234917","13.7954","0.0014","13.8916","0.0013","27.848","0.002","99.892","0.01","90.547","0.011","91.269","0.011","5255.7","0.8","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis[μ-1,2-bis(pyridin-4-yl)ethene- κ^2^N:N']bis(thiocyanato-κN)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]","","- C38 H30 Co N8 S2 -","- C38 H30 Co N8 S2 -","- C228 H180 Co6 N48 S12 -","6","3","BT5886","Wöhlert, Susanne; Jess, Inke; Näther, Christian","A triclinic polymorph of poly[[bis[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N']bis(thiocyanato-κN)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate]","Acta Crystallographica Section E","2012","68","6","m733","m734","10.1107/S1600536812019009","","","0.71073","MoKα","","0.0804","0.0541","","","0.1551","0.166","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234918","13.0439","0.0006","12.8557","0.0008","15.1294","0.0007","90","","110.191","0.005","90","","2381.1","0.2","170","2","170","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Bis(dicyanamido-κN)tetrakis(pyridine-κN)nickel(II)","","- C24 H20 N10 Ni -","- C24 H20 N10 Ni -","- C96 H80 N40 Ni4 -","4","1","BT5887","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Bis(dicyanamido-κN)tetrakis(pyridine-κN)nickel(II)","Acta Crystallographica Section E","2012","68","6","m745","","10.1107/S1600536812019691","","","0.71073","MoKα","","0.0476","0.0359","","","0.085","0.0919","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234919","19.1126","0.0005","8.4086","0.0002","11.0715","0.0003","90","","91.5691","0.0015","90","","1778.64","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","BT5889","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.","N-Hexyl-3-(4-hydroxy-3,5-dimethoxyphenyl)propanamide","Acta Crystallographica Section E","2012","68","6","o1603","o1604","10.1107/S1600536812019022","","","0.71073","MoKα","","0.0912","0.0479","","","0.1414","0.1724","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234920","8.3369","0.0004","17.363","0.0006","28.6382","0.001","90","","93.189","0.001","90","","4139.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaqua(1,10-phenanthroline- κ^2^N,N')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato- κ^2^O^3^:O^1^] sesquihydrate]","","- C19 H19 Co N2 O9.5 S -","- C19 H19 Co N2 O9.5 S -","- C152 H152 Co8 N16 O76 S8 -","8","1","BT5892","Fang, Xiang-Qian; Gao, Shan; Ng, Seik Weng","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato-κ^2^O^3^:O^1^] sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m721","","10.1107/S1600536812018752","","","0.71073","MoKα","","0.0414","0.0354","","","0.0913","0.0957","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234921","8.3682","0.0003","17.3251","0.0006","28.6686","0.001","90","","92.848","0.001","90","","4151.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')zinc]- μ-4-hydroxy-3-sulfonatobenzoato-κ^2^O^3^:O^1^] sesquihydrate]","","- C19 H19 N2 O9.5 S Zn -","- C19 H19 N2 O9.5 S Zn -","- C152 H152 N16 O76 S8 Zn8 -","8","1","BT5893","Fang, Xiang-Qian; Gao, Shan; Ng, Seik Weng","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')zinc]-μ-4-hydroxy-3-sulfonatobenzoato-κ^2^O^3^:O^1^] sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m722","","10.1107/S1600536812018740","","","0.71073","MoKα","","0.074","0.0347","","","0.0729","0.1041","","","","","","1.156","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234922","15.0665","0.0005","9.4818","0.0003","34.67","0.0013","90","","90.796","0.003","90","","4952.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]pyridine-3-carboxylate n-hexane hemisolvate","","- C25 H36 N O3 S -","- C25 H36 N O3 S -","- C200 H288 N8 O24 S8 -","8","2","BT5894","Ariffin, Azhar; Nordin, Nordiana; Yehye, Wagee A.; Ng, Seik Weng","Methyl 2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]pyridine-3-carboxylate n-hexane hemisolvate","Acta Crystallographica Section E","2012","68","6","o1605","","10.1107/S1600536812018739","","","0.71073","MoKα","","0.0653","0.0468","","","0.1017","0.1128","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234923","16.3246","0.001","15.3063","0.0011","16.5084","0.001","90","","90","","90","","4124.9","0.5","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine- κ^2^N:N'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","","- C17 H22 Cd N2 O11 S -","- C17 H22 Cd N2 O11 S -","- C136 H176 Cd8 N16 O88 S8 -","8","1","BT5895","Gao, Shan; Ng, Seik Weng","catena-Poly[[(tetraaquacadmium)-μ-4,4'-bipyridine-κ^2^N:N'] 4-hydroxy-3-sulfonatobenzoate monohydrate]","Acta Crystallographica Section E","2012","68","6","m715","","10.1107/S1600536812018727","","","0.71073","MoKα","","0.0495","0.0327","","","0.0817","0.0897","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234924","8.3072","0.0005","8.5468","0.0005","13.6969","0.0009","81.293","0.003","79.67","0.003","78.888","0.003","931.88","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-[1-(4-Methoxyphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","","- C19 H19 N3 O3 Se -","- C19 H19 N3 O3 Se -","- C38 H38 N6 O6 Se2 -","2","1","BT5896","Sugumar, P.; Sankari, S.; Manisankar, P.; Ponnuswamy, M. N.","5-[1-(4-Methoxyphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","Acta Crystallographica Section E","2012","68","6","o1784","","10.1107/S1600536812020752","","","0.71073","MoKα","","0.0464","0.0312","","","0.0744","0.0799","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234925","7.8169","0.0001","23.9721","0.0003","8.0559","0.0001","90","","99.748","0.001","90","","1487.78","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(3-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","BT5901","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(3-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1612","","10.1107/S1600536812018697","","","0.71073","MoKα","","0.0231","0.0212","","","0.0515","0.0523","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234926","8.545","0.002","10.699","0.003","11.215","0.003","76.903","0.005","87.833","0.005","77.16","0.005","973.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis(acetato-κ^2^O,O')aquacadmium]-μ- [(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^N:N'] dihydrate]","","- C15 H20 Cd N2 O8 -","- C15 H20 Cd N2 O8 -","- C30 H40 Cd2 N4 O16 -","2","1","BT5902","Wang, Zhi-Wei; Li, Ai-Min; Zhang, Ya","catena-Poly[[[bis(acetato-κ^2^O,O')aquacadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ^2^N:N'] dihydrate]","Acta Crystallographica Section E","2012","68","6","m723","","10.1107/S1600536812019101","","","0.71073","MoKα","","0.0428","0.0334","","","0.0782","0.084","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234927","18.7735","0.001","10.8439","0.0006","28.7173","0.0016","90","","90","","90","","5846.2","0.6","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","","- C68 H76 N4 Ni O4 -","- C68 H76 N4 Ni O4 -","- C272 H304 N16 Ni4 O16 -","4","0.5","BT5904","Wang, Yu-Fang; Zhao, Hong-Bin; Chen, Liang; Yang, De-Liang; Wang, Bang-Ying","{5,10,15,20-Tetrakis[4-(hexyloxy)phenyl]porphyrinato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m814","","10.1107/S160053681202226X","","","0.71073","MoKα","","0.0751","0.0558","","","0.1408","0.156","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234928","18.3852","0.0013","11.8312","0.0005","7.4609","0.0005","90","","112.346","0.008","90","","1501.02","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N')lead(II)]-di-μ-bromido]","","- C14 H12 Br2 N2 Pb -","- C14 H12 Br2 N2 Pb -","- C56 H48 Br8 N8 Pb4 -","4","0.5","BT5905","Sabour, Behrous; Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')lead(II)]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","6","m729","","10.1107/S160053681201940X","","","0.71073","MoKα","","0.0279","0.0255","","","0.0571","0.0584","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234929","17.8782","0.0013","8.0447","0.0006","23.466","0.0017","90","","97.605","0.002","90","","3345.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b- hexahydrochromeno[4,3-b]pyrrole","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","2","BT5906","Sundaramoorthy, S.; Sivakumar, N.; Bakthadoss, M.; Velmurugan, D.","1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole","Acta Crystallographica Section E","2012","68","6","o1735","","10.1107/S1600536812020338","","","0.71073","MoKα","","0.0821","0.0491","","","0.1259","0.149","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234930","12.8936","0.0005","6.7051","0.0002","15.3753","0.0005","90","","93.858","0.003","90","","1326.23","0.08","193","2","193","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Decachlorohexa-1,5-diene","","- C6 Cl10 -","- C6 Cl10 -","- C24 Cl40 -","4","1","BT5907","Schollmeyer, Dieter; Detert, Heiner","Decachlorohexa-1,5-diene","Acta Crystallographica Section E","2012","68","6","o1685","","10.1107/S1600536812019769","","","0.71069","MoKα","","0.0314","0.0295","","","0.073","0.0746","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234931","12.0421","0.0002","16.9085","0.0002","15.9316","0.0002","90","","101.243","0.001","90","","3181.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1'-Dibenzyl-5,5''-dichloro-1,1'',2,2''-tetrahydrodispiro[indole-3,7'- [6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C38 H34 Cl2 N4 O2 -","- C38 H34 Cl2 N4 O2 -","- C152 H136 Cl8 N16 O8 -","4","1","BT5908","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1,1'-Dibenzyl-5,5''-dichloro-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1664","","10.1107/S1600536812019678","","","0.71073","MoKα","","0.0559","0.0377","","","0.0983","0.1118","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234932","7.6658","0.0002","9.8948","0.0004","13.5722","0.0006","69.485","0.004","83.159","0.003","67.9","0.003","893.25","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^N,O)stannate(IV)","","- C13 H15 Cl4 N3 O2 Sn -","- C13 H15 Cl4 N3 O2 Sn -","- C26 H30 Cl8 N6 O4 Sn2 -","2","1","BT5909","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","4-(Dimethylamino)pyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^N,O)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m744","","10.1107/S160053681201968X","","","0.71073","MoKα","","0.0242","0.0203","","","0.0462","0.0485","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234933","25.684","0.006","9.911","0.002","16.739","0.004","90","","112.646","0.005","90","","3932.5","1.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3-(1,2-Di-p-tolyl-vinyl)-2-methyl-1H-indole","3-(1,2-Di-p-tolylvinyl)-2-methyl-1H-indole","","- C25 H23 N -","- C25 H23 N -","- C200 H184 N8 -","8","1","BT5910","Senthamizhselvi, R.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.; Illangovan, K.","3-(1,2-Di-p-tolylvinyl)-2-methyl-1H-indole","Acta Crystallographica Section E","2012","68","6","o1815","","10.1107/S1600536812021617","","","0.71073","MoKα","","0.0878","0.05","","","0.1334","0.159","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234934","19.383","0.003","19.383","","17.546","0.002","90","","90","","120","","5708.9","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Tris[(2E)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido- κ^2^N^1^,N^3^]cobalt(III)","","- C36 H24 Cl6 Co N9 -","- C36 H24 Cl6 Co N9 -","- C216 H144 Cl36 Co6 N54 -","6","0.333333","BT5911","Yu, Gang; Zhan, Shu-Zhong; Ng, Seik Weng","Tris[(2E)-1,3-bis(4-chlorophenyl)triaz-2-en-1-ido-κ^2^N^1^,N^3^]cobalt(III)","Acta Crystallographica Section E","2012","68","6","m758","","10.1107/S1600536812020569","","","0.71073","MoKα","","0.1085","0.0531","","","0.1276","0.159","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234935","11.7784","0.0007","11.9072","0.0009","12.4494","0.001","107.928","0.007","112.834","0.007","104.536","0.006","1387.7","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","2","BT5912","Chakkar, Mouna; Oughris, Najia; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene","Acta Crystallographica Section E","2012","68","6","o1893","","10.1107/S1600536812021514","","","0.71073","MoKα","","0.0662","0.0562","","","0.1447","0.1521","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234936","26.206","0.001","26.206","0.001","7.441","0.002","90","","90","","120","","4425.5","1.2","295","2","295","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","2,3-Dihydropyrrolo[2,1-b]quinazoline-9(1H)-thione","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C198 H180 N36 S18 -","18","1","BT5913","Nasrullayev, Azizbek O.; Elmuradov, Burkhon Zh.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M.","2,3-Dihydropyrrolo[2,1-b]quinazoline-9(1H)-thione","Acta Crystallographica Section E","2012","68","6","o1746","","10.1107/S1600536812021228","","","1.54184","CuKα","","0.0316","0.0292","","","0.0764","0.0778","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234937","10.415","0.0001","5.0631","0.0001","18.6564","0.0003","90","","96.857","0.001","90","","976.76","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","","- C10 H8 N4 O S -","- C10 H8 N4 O S -","- C40 H32 N16 O4 S4 -","4","1","BT5914","Al-Salahi, Rashad; Al-Omar, Mohamed; Abbas, Mohammed; Ng, Seik Weng","2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1805","","10.1107/S1600536812021757","","","1.54184","CuKα","","0.031","0.0303","","","0.0883","0.0894","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234938","9.6216","0.0002","4.9206","0.0001","12.1623","0.0003","90","","106.628","0.002","90","","551.73","0.02","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Methylsulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","","- C10 H8 N4 O3 S -","- C10 H8 N4 O3 S -","- C20 H16 N8 O6 S2 -","2","1","BT5915","Al-Salahi, Rashad; Marzouk, Mohamed; Abbas, Mohammed; Ng, Seik Weng","2-Methylsulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1806","","10.1107/S1600536812021769","","","1.54184","CuKα","","0.0311","0.0299","","","0.0807","0.082","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234939","12.6386","0.0003","10.7464","0.0003","8.6317","0.0003","90","","102.459","0.003","90","","1144.74","0.06","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-methylsulfonyl-1,2,4-triazolo[1,5-a]quinazoline","","- C10 H7 Cl N4 O2 S -","- C10 H7 Cl N4 O2 S -","- C40 H28 Cl4 N16 O8 S4 -","4","1","BT5916","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","5-Chloro-2-methylsulfonyl-1,2,4-triazolo[1,5-a]quinazoline","Acta Crystallographica Section E","2012","68","6","o1809","","10.1107/S1600536812021770","","","1.54184","CuKα","","0.0405","0.0373","","","0.1086","0.113","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234940","5.6985","0.0002","8.4328","0.0004","13.4322","0.0007","74.087","0.004","86.623","0.004","89.284","0.004","619.66","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-Phenoxy-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","","- C15 H10 N4 O2 -","- C15 H10 N4 O2 -","- C30 H20 N8 O4 -","2","1","BT5917","Al-Salahi, Rashad; Nabih, Lolak; Al-Omar, Mohamed; Ng, Seik Weng","2-Phenoxy-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1808","","10.1107/S1600536812021782","","","1.54184","CuKα","","0.0366","0.0349","","","0.1006","0.1029","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234941","6.3025","0.0005","10.8353","0.0005","11.0144","0.0007","101.728","0.005","102.419","0.006","101.693","0.005","694.95","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","3-Benzyl-8-methoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","BT5918","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","3-Benzyl-8-methoxy-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","6","o1807","","10.1107/S1600536812021794","","","1.54184","CuKα","","0.0393","0.0376","","","0.1118","0.1141","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234942","8.9823","0.0003","13.7271","0.0003","8.3137","0.0002","90","","92.882","0.003","90","","1023.79","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C44 H40 N8 O4 S4 -","4","1","BT5919","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","3-(Prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2012","68","6","o1810","","10.1107/S1600536812021800","","","1.54184","CuKα","","0.0422","0.0365","","","0.1007","0.1075","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234943","4.5861","0.0002","11.0475","0.0004","22.5594","0.0009","89.196","0.003","88.073","0.003","81.128","0.003","1128.61","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11- pentaen-3-yl)thiourea","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","2","BT5920","Al-Salahi, Rashad; Al-Omar, Mohamed; Marzouk, Mohamed; Ng, Seik Weng","N-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaen-3-yl]thiourea","Acta Crystallographica Section E","2012","68","6","o1811","","10.1107/S1600536812021812","","","1.54184","CuKα","","0.0704","0.0647","","","0.1892","0.1957","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234944","9.4113","0.0019","18.424","0.004","9.3362","0.0019","90","","112.59","0.03","90","","1494.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')zinc","","- C14 H12 Br2 N2 Zn -","- C14 H12 Br2 N2 Zn -","- C56 H48 Br8 N8 Zn4 -","4","1","BT5921","Dehghani, Ali; M. Amini, Mostafa; Najafi, Ezzatollah; Tadjarodi, Azadeh; Notash, Behrouz","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')zinc","Acta Crystallographica Section E","2012","68","6","m811","","10.1107/S1600536812022738","","","0.71073","MoKα","","0.1062","0.0497","","","0.0858","0.0999","","","","","","0.948","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234945","13.322","0.003","13.017","0.003","7.1912","0.0016","90","","105.308","0.004","90","","1202.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","1","BT5922","Jeyaseelan, S.; Devarajegowda, H. C.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","6","o1860","","10.1107/S160053681202185X","","","0.71073","MoKα","","0.0475","0.0409","","","0.1025","0.1057","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234946","8.5315","0.0003","15.1772","0.0006","5.6107","0.0002","90","","90","","90","","726.5","0.05","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3,3'-Carbonyldipyridinium diperchlorate","","- C11 H10 Cl2 N2 O9 -","- C11 H10 Cl2 N2 O9 -","- C22 H20 Cl4 N4 O18 -","2","0.5","BT5923","Zhang, Ya; Li, Ai-min; Wang, Zhi-wei; Wan, Chong-Qing","3,3'-Carbonyldipyridinium bis(perchlorate)","Acta Crystallographica Section E","2012","68","6","o1896","","10.1107/S1600536812022817","","","0.71073","MoKα","","0.029","0.0277","","","0.0722","0.0733","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234947","4.7672","0.0009","6.297","0.001","19.135","0.003","87.24","0.01","83.95","0.01","88.28","0.02","570.37","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(3-Chloro-2-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C22 H24 Cl2 N2 O6 -","2","1","BT5924","Gowda, B. Thimme; Foro, Sabine; Chaithanya, U.","N-(3-Chloro-2-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","6","o1869","","10.1107/S1600536812022763","","","0.71073","MoKα","","0.0914","0.0641","","","0.1136","0.127","","","","","","1.197","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234948","8.2422","0.0001","13.9124","0.0002","15.4685","0.0003","90","","93.855","0.001","90","","1769.74","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Chloro-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-methylpropanenitrile","","- C19 H17 Cl N4 -","- C19 H17 Cl N4 -","- C76 H68 Cl4 N16 -","4","1","BT5925","Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Urbańczyk-Lipkowska, Zofia; Kalicki, Przemysław","2-(3-Chloro-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-5-yl)-2-methylpropanenitrile","Acta Crystallographica Section E","2012","68","6","o1938","","10.1107/S1600536812023252","","","1.54178","CuKα","","0.0393","0.0369","","","0.1075","0.1103","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234949","25.265","0.008","8.929","0.003","12.584","0.004","90","","90","","90","","2838.8","1.6","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazine-3-carboxylate","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","BT5926","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Danish, Muhammad; Holman, K. Travis","Methyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2H-1λ^6^,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1926","","10.1107/S1600536812022908","","","0.71073","MoKα","","0.0613","0.0423","","","0.0988","0.1087","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234950","11.2111","0.0009","12.033","0.001","12.5409","0.001","62.287","0.009","88.983","0.01","88.949","0.01","1497.4","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κN)bis(thiocyanato-κN)nickel(II) pyridazine disolvate","","- C26 H24 N14 Ni S2 -","- C26 H24 N14 Ni S2 -","- C52 H48 N28 Ni2 S4 -","2","1","BT5930","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κN)bis(thiocyanato-κN)nickel(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","6","m793","","10.1107/S1600536812023306","","","0.71073","MoKα","","0.0502","0.0321","","","0.0781","0.0841","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234951","9.746","0.003","6.077","0.003","20.797","0.007","90","","90","","90","","1231.7","0.8","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-N-(2-methylphenyl)benzamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BT5935","Rodrigues, Vinola Z.; Gowda, B. Thimme; Sivý, Július; Vrábel, Viktor; Kožíšek, Jozef","2-Chloro-N-(2-methylphenyl)benzamide","Acta Crystallographica Section E","2012","68","6","o1936","","10.1107/S1600536812023902","","","0.71073","MoKα","","0.1218","0.068","","","0.128","0.1474","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234952","8.1532","0.0016","9.2582","0.0019","14.108","0.005","90","","108.02","0.03","90","","1012.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(butan-1-aminium) naphthalene-1,5-disulfonate","","- C18 H30 N2 O6 S2 -","- C18 H30 N2 O6 S2 -","- C36 H60 N4 O12 S4 -","2","0.5","BX2406","Jin, Yu","Bis(butan-1-aminium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1595","","10.1107/S1600536812018880","","","0.71073","MoKα","","0.0445","0.0379","","","0.0909","0.0936","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234953","6.3663","0.0002","13.2868","0.0009","9.1019","0.0002","90","","103.755","0.001","90","","747.83","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyanopyridinium nitrate","","- C6 H5 N3 O3 -","- C6 H5 N3 O3 -","- C24 H20 N12 O12 -","4","1","BX2407","Zheng, Wen-Ni","4-Cyanopyridinium nitrate","Acta Crystallographica Section E","2012","68","6","o1695","","10.1107/S1600536812020697","","","0.71073","MoKα","","0.0635","0.0504","","","0.1375","0.1463","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234954","4.4949","0.0002","14.9891","0.0009","15.1357","0.0008","90","","90","","90","","1019.76","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,10-Dihydro-7H-benzo[de]imidazo[2,1-a]isoquinolin-7-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","BX2409","Chen, Yu Mei; Shi, Jian Chao","9,10-Dihydro-7H-benzo[de]imidazo[2,1-a]isoquinolin-7-one","Acta Crystallographica Section E","2012","68","6","o1886","","10.1107/S1600536812022921","","","0.71073","MoKα","","0.1238","0.0746","","","0.1788","0.202","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234955","9.295","0.001","9.7861","0.0011","14.3819","0.0015","79.971","0.001","74.718","0.001","85.745","0.002","1242.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^N,N'){N-[(2-oxidonaphthalen-1-yl- κO)methylidene]-L-valinato-κO}copper(II) trihydrate","","- C26 H29 Cu N3 O6 -","- C26 H29 Cu N3 O6 -","- C52 H58 Cu2 N6 O12 -","2","1","BX2410","Zuo, Jian; Bi, Caifeng; Fan, Yuhua; Zhang, Nan; Zhang, Pengfei","(2,2'-Bipyridine-κ^2^N,N'){N-[(2-oxidonaphthalen-1-yl-κO)methylidene]-L-valinato-κO}copper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m792","","10.1107/S1600536812022702","","","0.71073","MoKα","","0.0626","0.0391","","","0.0838","0.0969","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234956","8.8135","0.0004","8.9469","0.0004","18.3067","0.0009","79.077","0.001","78.218","0.001","69.8","0.001","1315.05","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(22,24-dimethyl-23-oxo-8,11,14-trioxa-25- azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaen-25-yl)but-2-enedioate","","- C29 H33 N O8 -","- C29 H33 N O8 -","- C58 H66 N2 O16 -","2","1","CV5289","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","Dimethyl 2-[22,24-dimethyl-23-oxo-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","6","o1588","o1589","10.1107/S1600536812018867","","","0.71073","MoKα","","0.0542","0.0436","","","0.1112","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234957","18.1","0.004","9.1763","0.0018","15.151","0.003","90","","102.06","0.03","90","","2460.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-methylpiperidinium) naphthalene-1,5-disulfonate","","- C22 H34 N2 O6 S2 -","- C22 H34 N2 O6 S2 -","- C88 H136 N8 O24 S8 -","4","0.5","CV5290","Xu, Qian","Bis(3-methylpiperidinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1687","","10.1107/S160053681202003X","","","0.71073","MoKα","","0.0968","0.0566","","","0.1312","0.1513","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234958","7.6684","0.0008","10.0717","0.001","10.6748","0.0011","87.199","0.008","78.332","0.008","70.569","0.008","761.28","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-{[(2,3-Dihydro-1H-inden-2-yl)oxy]methyl}quinazoline- 2,4(1H,3H)-dione","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","CV5291","El-Brollosy, Nasser R.; Dege, Necmi; Demirtaş, Güneş; Attia, Mohamed I.; El-Emam, Ali A.; Büyükgüngör, Orhan","1-{[(2,3-Dihydro-1H-inden-2-yl)oxy]methyl}quinazoline-2,4(1H,3H)-dione","Acta Crystallographica Section E","2012","68","6","o1866","o1867","10.1107/S1600536812022350","","","0.71073","MoKα","","0.0803","0.0441","","","0.092","0.1028","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234959","8.2666","0.001","10.9027","0.0013","12.6734","0.0016","90","","93.986","0.002","90","","1139.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(2,2'-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate","","- C20 H20 Mn N8 O6 -","- C20 H20 Mn N8 O6 -","- C40 H40 Mn2 N16 O12 -","2","0.5","CV5293","Yang, Lining; Zhi, Yanxiang; Hei, Jiahui; Miao, Yanqing","Diaquabis(2,2'-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate","Acta Crystallographica Section E","2012","68","6","m829","","10.1107/S160053681202199X","","","0.71073","MoKα","","0.034","0.0271","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234960","13.1299","0.0009","12.5047","0.0008","13.995","0.0009","90","","101.59","0.02","90","","2250.9","0.3","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Quetiapine N-oxide‒fumaric acid (2/1)","2-{2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl 1-oxide]ethoxy}ethanol‒fumaric acid (2/1)","","- C46 H54 N6 O10 S2 -","- C46 H54 N6 O10 S2 -","- C92 H108 N12 O20 S4 -","2","0.5","CV5294","Shen, Jin; Qian, Jing-Jing; Wu, Su-Xiang; Gu, Jian-Ming; Hu, Xiu-Rong","Quetiapine N-oxide‒fumaric acid (2/1)","Acta Crystallographica Section E","2012","68","6","o1753","o1754","10.1107/S1600536812020818","","","0.71073","MoKα","","0.1167","0.0699","","","0.1623","0.1933","","","","","","1.003","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2234961","8.9732","0.0005","5.9114","0.0003","15.8489","0.0007","90","","99.529","0.005","90","","829.09","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromophenyl)acetic acid","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C32 H28 Br4 O8 -","4","1","CV5295","Kant, Rajni; Kapoor, Kamini; Narayana, B.","2-(2-Bromophenyl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1704","","10.1107/S1600536812020545","","","0.71073","MoKα","","0.0583","0.0415","","","0.0882","0.0962","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234962","9.395","0.0019","9.5611","0.0019","13.805","0.003","103.27","0.02","99.91","0.03","104.76","0.03","1131.5","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,6-Bis(1H-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C46 H50 N10 O8 -","2","1","CV5296","Lin, Songzhu; Jia, Ruokun; He, Aimin","2,6-Bis(1H-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate","Acta Crystallographica Section E","2012","68","6","o1820","","10.1107/S1600536812021915","","","0.71073","MoKα","","0.0537","0.0453","","","0.1367","0.1442","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234963","26.53","0.015","4.785","0.002","11.81","0.007","90","","102.85","0.02","90","","1461.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(3-Bromopropoxy)phenyl]-2-p-tolyldiazene","","- C16 H17 Br N2 O -","- C16 H17 Br N2 O -","- C64 H68 Br4 N8 O4 -","4","1","CV5298","Yu, Zhen-Xiang; Li, Bao","(E)-1-[4-(3-Bromopropoxy)phenyl]-2-p-tolyldiazene","Acta Crystallographica Section E","2012","68","6","o1761","","10.1107/S1600536812021538","","","0.71073","MoKα","","0.1063","0.0564","","","0.1523","0.1803","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234964","5.0804","0.001","17.345","0.004","11.576","0.002","90","","95.41","0.03","90","","1015.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid","","- C9 H7 F3 O4 S -","- C9 H7 F3 O4 S -","- C36 H28 F12 O16 S4 -","4","1","CV5300","Yao, Lin-Shan; We, Bo; Gao, Jin-Sheng","2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid","Acta Crystallographica Section E","2012","68","6","o1856","","10.1107/S160053681202243X","","","0.71073","MoKα","","0.0517","0.044","","","0.1171","0.123","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234965","8.4884","0.0003","8.9834","0.0003","27.088","0.0008","90","","96.5","0.002","90","","2052.31","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrostyryl)-N,N-diphenylaniline","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","CV5302","Zhang, Zhi-Wen; Liu, Yan-Qiu; Zhu, Yu-Chao; Wu, Jie-Ying","4-(4-Nitrostyryl)-N,N-diphenylaniline","Acta Crystallographica Section E","2012","68","6","o1933","","10.1107/S1600536812023719","","","0.71073","MoKα","","0.0954","0.0565","","","0.1538","0.185","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234966","11.5203","0.0014","8.7228","0.0012","13.5793","0.0019","90","","106.889","0.002","90","","1305.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N'-(3-Hydroxybenzylidene)-4-methylbenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","CV5303","Liu, Ji-Lai; Sun, Ming-Hui; Ma, Jing-Jun","N'-(3-Hydroxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1816","","10.1107/S1600536812021897","","","0.71073","MoKα","","0.1499","0.0568","","","0.1187","0.1602","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234967","7.845","0.011","8.94","0.012","11.116","0.015","99.5","0.02","99.76","0.02","106.7","0.02","716.8","1.7","293","","293","","","","","","","","","4","P -1","-P 1","2","","(E)-N'-Hydroxy-1,3-diphenyl-4,5-dihydro-1H-pyrazole-5- carboximidamide","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","1","DS2183","Chandra; Srikantamurthy, N.; Umesha, K. B.; Jeyaseelan, S.; Mahendra, M.","(E)-N'-Hydroxy-1,3-diphenyl-4,5-dihydro-1H-pyrazole-5-carboximidamide","Acta Crystallographica Section E","2012","68","6","o1661","o1662","10.1107/S1600536812019630","","","0.71073","MoKα","","0.0697","0.0534","","","0.1539","0.172","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234968","5.227","0.005","7.364","0.005","17.493","0.005","90","0.005","95.232","0.005","90","0.005","670.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-Alanine‒(S)-2-phenoxypropionic acid (1/1)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","DS2190","Amimoto, Kiichi; Nishioka, Yuma","(S)-Alanine‒(S)-2-phenoxypropionic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1720","","10.1107/S1600536812020727","","","0.71069","MoKα","","0.0298","0.0294","","","","0.0812","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234969","18.9008","0.0007","9.9828","0.0004","9.5924","0.0004","90","","102.224","0.004","90","","1768.89","0.12","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Amino-N-benzyl-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2- carboxamide","","- C21 H16 F N3 O S -","- C21 H16 F N3 O S -","- C84 H64 F4 N12 O4 S4 -","4","1","DS2191","Zhao, Jin-Ni; Yang, Sheng-Yong; Yang, Li","3-Amino-N-benzyl-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide","Acta Crystallographica Section E","2012","68","6","o1823","","10.1107/S160053681202212X","","","0.7107","MoKα","","0.0649","0.0435","","","0.0936","0.1039","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234970","23.134","0.005","9.997","0.002","7.7214","0.0015","90","","107.9","0.03","90","","1699.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Methylpiperidinium bromide","","- C6 H14 Br N O0 -","- C6 H14 Br N -","- C48 H112 Br8 N8 -","8","1","DS2192","Xu, Qian","3-Methylpiperidinium bromide","Acta Crystallographica Section E","2012","68","6","o1654","","10.1107/S160053681201971X","","","0.71073","MoKα","","0.0738","0.0425","","","0.0818","0.0912","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234971","10.11","0.02","10.87","0.03","11.64","0.03","94.73","0.04","92.07","0.03","92.05","0.04","1273","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(5-Benzoyl-2-methyl-4-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4- yl]methoxy}-1-benzofuran-7-yl)(phenyl)methanone","","- C31 H22 N4 O4 -","- C31 H22 N4 O4 -","- C62 H44 N8 O8 -","2","1","DS2193","Zhang, Xiao-qin; Zhang, Hai-Liang; Dong, Zhu-Yong; Qian, Qiang; Wang, Yu-Guang","(5-Benzoyl-2-methyl-4-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-7-yl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","6","o1916","","10.1107/S1600536812023720","","","0.71073","MoKα","","0.102","0.0529","","","0.1522","0.2003","","","","","","0.845","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2234972","11.2812","0.0004","9.345","0.0004","13.412","0.0005","90","","104.176","0.003","90","","1370.87","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-phenyl-1-(4-oxopentanoic acid)thiosemicarbazone","1-(4-Carboxybutan-2-ylidene)-4-phenylthiosemicarbazide","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","DS2195","Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; García-Granda, Santiago","1-(4-Carboxybutan-2-ylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2012","68","6","o1945","o1946","10.1107/S1600536812023793","","","1.5418","CuKα","","0.0446","0.0395","","","0.1082","0.1141","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234973","6.119","0.0012","19.921","0.004","9.649","0.0019","90","","94.08","0.03","90","","1173.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-N'-phenylbenzohydrazide","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","DS2196","Kesternich, Víctor; Gahona, Paulo; Pérez-Fehrmann, Marcia; Brito, Iván; López-Rodríguez, Matías","2-Amino-N'-phenylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1847","","10.1107/S1600536812022362","","","0.71073","MoKα","","0.0879","0.0683","","","0.1512","0.1627","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234974","13.9486","0.0009","11.1773","0.0008","7.4579","0.0005","90","","102.061","0.004","90","","1137.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one","","- C13 H11 N O S -","- C13 H11 N O S -","- C52 H44 N4 O4 S4 -","4","1","EZ2285","Palaniappan, Annamalai; Arulmozhivarman, Arumugam; Ramachandran, Rajamanickam; Srinivasan, Subramanian; Senthan, Sivakolunthu","(E)-3-(4-Methylphenyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1875","","10.1107/S1600536812019575","","","0.71073","MoKα","","0.0574","0.0395","","","0.1067","0.1184","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234975","11.219","0.0011","14.3742","0.0016","12.0189","0.0013","90","","96.43","0.001","90","","1926","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetrakis(ethyl pyridine-4-carboxylate-κN)bis(thiocyanato-κN)cobalt(II)","","- C34 H36 Co N6 O8 S2 -","- C34 H36 Co N6 O8 S2 -","- C68 H72 Co2 N12 O16 S4 -","2","1","EZ2290","Feng, Xiu-Ling; Zhang, Yu-Ping","Tetrakis(ethyl pyridine-4-carboxylate-κN)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","6","m786","","10.1107/S1600536812021988","","","0.71073","MoKα","","0.0874","0.0474","","","0.0996","0.1221","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234976","7.309","0.004","17.01","0.009","25.507","0.013","90","","102.596","0.017","90","","3095","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2H- chromen-2-one","","- C15 H17 O6 P -","- C15 H17 O6 P -","- C120 H136 O48 P8 -","8","2","EZ2291","Zhao, Yan-Ru; Hou, Xu-Feng; Xu, Zhi-Hong","7-[(5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","6","o1924","","10.1107/S1600536812023513","","","0.71073","MoKα","","0.1316","0.0523","","","0.1038","0.1339","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234977","8.8703","0.0013","9.1691","0.0018","18.643","0.003","86.745","0.014","86.943","0.012","67.798","0.016","1400.8","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","EZ2292","Yin, Guo-Jie; Yang, Gang-Bin; Wang, Shi-Min","9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate","Acta Crystallographica Section E","2012","68","6","o1817","","10.1107/S1600536812021940","","","1.54184","CuKα","","0.0675","0.0517","","","0.136","0.1514","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234978","9.5816","0.0001","11.3855","0.0002","14.365","0.0002","88.221","0.001","86.067","0.001","82.299","0.001","1548.93","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1569 [SPN-iPr-H+]BF4","2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate","","- C11 H20 B F4 N2 P S -","- C11 H20 B F4 N2 P S -","- C44 H80 B4 F16 N8 P4 S4 -","4","2","EZ2293","Holzhacker, Christian; Kirchner, Karl; Mereiter, Kurt","2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate","Acta Crystallographica Section E","2012","68","6","o1835","o1836","10.1107/S1600536812022295","","","0.71073","MoKα","","0.0299","0.0274","","","0.0736","0.0756","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234979","11.183","0.002","5.7531","0.001","17","0.004","90","","105.59","0.02","90","","1053.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis phenylalaninium hexafluorosilicate(VI)","(±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)","","- C18 H24 F6 N2 O4 Si -","- C18 H24 F6 N2 O4 Si -","- C36 H48 F12 N4 O8 Si2 -","2","0.5","EZ2295","Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Roisnel, Thierry","(±)-Bis(1-carboxy-2-phenylethanaminium) hexafluorosilicate(VI)","Acta Crystallographica Section E","2012","68","6","o1791","o1792","10.1107/S1600536812021587","","","0.71073","MoKα","","0.0493","0.0348","","","0.0793","0.0862","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234980","8.877","0.006","9.12","0.006","20.69","0.014","90","","95.769","0.006","90","","1666.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4RS)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","FB2251","Sun, Gui-Sheng; Hu, Yu-Lai; Huang, Dan-Feng; Xu, Chang-Ming","(4RS)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate","Acta Crystallographica Section E","2012","68","6","o1894","","10.1107/S1600536812021320","","","0.71073","MoKα","","0.1159","0.0521","","","0.1099","0.1529","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234981","15.327","0.003","17.742","0.002","17.278","0.002","90","","110.36","0.02","90","","4404.9","1.3","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexakis(dimethylformamide-κO)manganese(II) (dimethylformamide-κO)pentakis(thiocyanato-κN)chromate(III)","","- C26 H49 Cr Mn N12 O7 S5 -","- C26 H49 Cr Mn N12 O7 S5 -","- C104 H196 Cr4 Mn4 N48 O28 S20 -","4","1","FF2065","Semenaka, Valentyna V.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Omelchenko, Irina V.; Shishkin, Oleg V.","Hexakis(dimethylformamide-κO)manganese(II) (dimethylformamide-κO)pentakis(thiocyanato-κN)chromate(III)","Acta Crystallographica Section E","2012","68","6","m823","","10.1107/S1600536812023069","","","0.71073","MoKα","","0.2032","0.0531","","","0.0813","0.0995","","","","","","0.67","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234982","14.8572","0.0013","6.2269","0.0006","13.1215","0.0012","90","","95.568","0.001","90","","1208.2","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1RS,5RS,7SR)-5-Methyl-2,4-dioxo-3,6- diazabicyclo[3.2.1]octan-7-yl]benzonitrile","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","FF2066","Kudryavtsev, Konstantin V.; Churakov, Andrei V.","4-[(1RS,5RS,7SR)-5-Methyl-2,4-dioxo-3,6-diazabicyclo[3.2.1]octan-7-yl]benzonitrile","Acta Crystallographica Section E","2012","68","6","o1718","","10.1107/S1600536812020156","","","0.71073","MoKα","","0.0446","0.0401","","","0.1066","0.1098","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234983","33.312","0.003","9.4144","0.0006","14.4581","0.001","90","","102.393","0.0019","90","","4428.6","0.6","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro- 1H-xanthene-1,8(2H)-dione","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","FF2067","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Lee, Ki Soo; Cha, Joo Hwan","(E)-3,3,6,6-Tetramethyl-9-(2-nitrostyryl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione","Acta Crystallographica Section E","2012","68","6","o1947","","10.1107/S1600536812023495","","","0.71075","MoKα","","","0.048","","","","0.1531","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234984","10.9165","0.0005","7.815","0.0003","28.039","0.0014","90","","90","","90","","2392.08","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1E,2E)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FF2068","Mendoza-Meroño, Rafael; García-Granda, Santiago","(1E,2E)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2012","68","6","o1840","","10.1107/S1600536812022386","","","1.5418","CuKα","","0.0592","0.0389","","","0.0975","0.11","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234985","9.4297","0.0019","10.429","0.002","12.471","0.003","81.37","0.03","71","0.03","79.83","0.03","1135.7","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-glutarato-κ^4^O^1^:O^5^- bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine- κ^2^N^2^,N^3^]copper(II)}","","- C50 H44 Cu2 N8 O10 -","- C50 H44 Cu2 N8 O10 -","- C50 H44 Cu2 N8 O10 -","1","0.5","FF2069","Xu, Wei; Feng, Lan-Jing-Qian","Di-μ-glutarato-κ^4^O^1^:O^5^-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ^2^N^2^,N^3^]copper(II)}","Acta Crystallographica Section E","2012","68","6","m797","","10.1107/S1600536812022969","","","0.71073","MoKα","","0.0856","0.0484","","","0.0945","0.1074","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234986","10.155","0.002","11.204","0.002","15.454","0.003","76.34","0.03","83.61","0.03","64.9","0.03","1547.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Triaqua-1κO,2κ^2^O-bis(2,2'-bipyridine)- 1κ^2^N,N';2κ^2^N,N'-chlorido-1κCl- μ-terephthalato-1:2κ^2^O^1^:O^4^-dicopper(II) nitrate monohydrate","","- C28 H28 Cl Cu2 N5 O11 -","- C28 H28 Cl Cu2 N5 O11 -","- C56 H56 Cl2 Cu4 N10 O22 -","2","1","FJ2542","Liu, Yang; Feng, Yong-Lan; Kuang, Dai-Zhi","Triaqua-1κO,2κ^2^O-bis(2,2'-bipyridine)-1κ^2^N,N';2κ^2^N,N'-chlorido-1κCl-μ-terephthalato-1:2κ^2^O^1^:O^4^-dicopper(II) nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","m746","m747","10.1107/S1600536812019848","","","0.71073","MoKα","","0.0843","0.0522","","","0.1543","0.1724","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234987","12.5718","0.0008","20.3617","0.0016","8.5162","0.0006","90","","104.498","0.007","90","","2110.6","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C22 H15 Br F3 N O5 S -","- C22 H15 Br F3 N O5 S -","- C88 H60 Br4 F12 N4 O20 S4 -","4","1","FJ2548","Trzybiński, Damian; Sieradzan, Andrzej; Krzymiński, Karol; Błażejowski, Jerzy","9-(2-Bromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","6","o1722","o1723","10.1107/S1600536812020892","","","0.71073","MoKα","","0.0659","0.0354","","","0.0829","0.0877","","","","","","0.916","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234988","8.6024","0.0009","16.12","0.0019","9.5092","0.0012","90","","121.501","0.008","90","","1124.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-1-(2-Aminocarbonyl-2-bromoethyl)pyridinium bromide","","- C8 H10 Br2 N2 O -","- C8 H10 Br2 N2 O -","- C32 H40 Br8 N8 O4 -","4","1","FJ2549","Köppen, Robert; Emmerling, Franziska; Koch, Matthias","rac-1-(2-Aminocarbonyl-2-bromoethyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1666","","10.1107/S1600536812019721","","","0.71073","MoKα","","0.0741","0.0444","","","0.123","0.1294","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234989","8.1785","0.0003","15.7494","0.0006","15.6615","0.0005","90","","94.039","0.002","90","","2012.29","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(2-acetylcyclopentan-1-onato-κ^2^O,O')aluminium","","- C21 H27 Al O6 -","- C21 H27 Al O6 -","- C84 H108 Al4 O24 -","4","1","FJ2551","Perdih, Franc","Tris(2-acetylcyclopentan-1-onato-κ^2^O,O')aluminium","Acta Crystallographica Section E","2012","68","6","m781","","10.1107/S1600536812021848","","","0.71073","MoKα","","0.107","0.0715","","","","0.2282","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234990","6.1046","0.0005","11.0329","0.0008","12.4303","0.0009","101.175","0.003","91.323","0.002","104.759","0.002","791.91","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(2E)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-N- phenylhydrazinecarbothioamide","","- C15 H14 Br N3 O2 S -","- C15 H14 Br N3 O2 S -","- C30 H28 Br2 N6 O4 S2 -","2","1","FJ2553","Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2E)-2-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-N-phenylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","6","o1871","o1872","10.1107/S1600536812022520","","","0.71073","MoKα","","0.039","0.0285","","","0.064","0.0684","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234991","9.2401","0.0013","9.839","0.0014","13.3765","0.0019","99.978","0.002","94.616","0.002","92.145","0.002","1192.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(methanol-κO)[cis-(±)-2,4,5-tris(pyridin-2-yl)-2- imidazoline-κ^3^N^2^,N^3^,N^4^]ytterbium(III) chloride","","- C20 H23 Cl3 N5 O2 Yb -","- C20 H23 Cl3 N5 O2 Yb -","- C40 H46 Cl6 N10 O4 Yb2 -","2","1","FJ2554","Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Cruz-Enriquez, Adriana; Campos-Gaxiola, Jose J.","Dichloridobis(methanol-κO)[cis-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^3^N^2^,N^3^,N^4^]ytterbium(III) chloride","Acta Crystallographica Section E","2012","68","6","m815","m816","10.1107/S1600536812022052","","","0.71073","MoKα","","0.0379","0.035","","","0.0819","0.0909","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234992","5.1851","0.0004","21.408","0.002","5.6833","0.0004","90","","98.01","0.007","90","","624.71","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-Methylbenzyl)-3-nitroaniline","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C28 H28 N4 O4 -","2","1","FJ2555","Daković, Marijana; Portada, Tomislav; Klačić, Tin","N-(4-Methylbenzyl)-3-nitroaniline","Acta Crystallographica Section E","2012","68","6","o1967","","10.1107/S1600536812024348","","","0.71073","MoKα","","0.0638","0.0459","","","0.1097","0.1165","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234993","6.8351","0.0001","8.1483","0.0002","15.7931","0.0003","76.661","0.001","81.769","0.001","75.287","0.001","824.45","0.03","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(4-Cyclohexyl-3-fluorobenzylidene)chroman-4-one","","- C22 H21 F O2 -","- C22 H21 F O2 -","- C44 H42 F2 O4 -","2","1","FJ2556","Gopaul, Kaalin; Shaikh, Mahidansha M.; Koorbanally, Neil A.; Ramjugernath, Deresh; Omondi, Bernard","(E)-3-(4-Cyclohexyl-3-fluorobenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","6","o1972","","10.1107/S1600536812024336","","","0.71073","MoKα","","0.0628","0.0577","","","0.1674","0.173","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2234994","8.1423","0.0007","8.6891","0.0009","9.0028","0.0008","76.163","0.008","68.105","0.007","86.397","0.008","573.6","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate","","- C11 H10 Br2 O2 -","- C11 H10 Br2 O2 -","- C22 H20 Br4 O4 -","2","1","FJ2559","Çelik, Ísmail; Akkurt, Mehmet; Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; Kazak, Canan","2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate","Acta Crystallographica Section E","2012","68","6","o1884","","10.1107/S1600536812023173","","","0.71073","MoKα","","0.0875","0.0673","","","0.1635","0.1776","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234995","8.3443","0.0007","14.5827","0.0013","16.9132","0.0014","70.418","0.004","88.849","0.004","76.833","0.004","1884.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","8-Bromo-3-(cyclopropanylcarbonyl)-5-methylindolizine-1-carbonitrile","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C84 H66 Br6 N12 O6 -","6","3","FJ2561","Fan, Dahe; Tang, Fan; Wang, Wei","8-Bromo-3-(cyclopropanylcarbonyl)-5-methylindolizine-1-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1897","","10.1107/S1600536812023161","","","0.71073","MoKα","","","0.0315","","","0.0819","0.0864","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234996","9.4028","0.0003","10.2524","0.0005","12.0473","0.0006","90","","90","","90","","1161.37","0.09","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S*,5R*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","FY2049","Jiang, Zhen-ju; He, Qi; Li, Zhen; Wang, Zhou-yu","(1S*,5R*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2012","68","6","o1691","","10.1107/S1600536812020065","","","0.7107","MoKα","","0.0603","0.0429","","","0.0837","0.0917","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234997","7.5864","0.0003","7.4083","0.0003","13.7673","0.0006","90","","105.337","0.002","90","","746.2","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-[2-({N-[(2S)-2-ammoniopropanoyl]glycyl}amino)ethyl]-1H- imidazol-3-ium dichloride","L-Alanylglycylhistamine dihydrochloride","","- C10 H19 Cl2 N5 O2 -","- C10 H19 Cl2 N5 O2 -","- C20 H38 Cl4 N10 O4 -","2","1","FY2052","Selmeczi, Katalin; Gizzi, Patrick; Wenger, Emmanuel; Henry, Bernard","L-Alanylglycylhistamine dihydrochloride","Acta Crystallographica Section E","2012","68","6","o1917","o1918","10.1107/S1600536812023562","","","0.71073","MoKα","","0.0298","0.0271","","","0.0678","0.07","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234998","6.8956","0.0002","17.1034","0.0003","15.7773","0.0003","90","","97.533","0.001","90","","1844.69","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran","","- C20 H19 Br O3 S -","- C20 H19 Br O3 S -","- C80 H76 Br4 O12 S4 -","4","1","FY2055","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1624","","10.1107/S1600536812019411","","","0.71073","MoKα","","0.0574","0.0376","","","0.0856","0.0934","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234999","22.137","0.004","9.918","0.002","7.5853","0.0015","90","","90","","90","","1665.4","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-Methylpiperidinium bromide","","- C6 H14 Br N -","- C6 H14 Br N -","- C48 H112 Br8 N8 -","8","1","FY2056","Xu, Qian","2-Methylpiperidinium bromide","Acta Crystallographica Section E","2012","68","6","o1962","","10.1107/S1600536812022878","","","0.71073","MoKα","","0.0961","0.0486","","","0.1003","0.1176","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235000","10.7798","0.0012","20.775","0.0019","8.7652","0.0018","90","","105.318","0.015","90","","1893.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4- methoxyphenyl)propylidene]amino}-3-(2-methylphenyl)urea","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C84 H92 N20 O8 -","4","1","GG2079","Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4-methoxyphenyl)propylidene]amino}-3-(2-methylphenyl)urea","Acta Crystallographica Section E","2012","68","6","o1799","o1800","10.1107/S1600536812021903","","","0.71073","MoKα","","0.1063","0.0635","","","0.2009","0.2156","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235001","14.115","0.0009","10.1909","0.0006","7.6749","0.0005","90","","104.212","0.003","90","","1070.2","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10-(prop-2-yn-1-yl)dipyrido[3,4-b:3',4'-e][1,4]thiazine","10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine","","- C13 H9 N3 S -","- C13 H9 N3 S -","- C52 H36 N12 S4 -","4","1","GK2475","Morak-Młodawska, Beata; Suwińska, Kinga; Pluta, Krystian; Jeleń, Małgorzata","10-(Prop-2-yn-1-yl)-2,7-diazaphenothiazine","Acta Crystallographica Section E","2012","68","6","o1590","o1591","10.1107/S1600536812018879","","","0.71073","MoKα","","0.062","0.049","","","0.105","0.114","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235002","11.4488","0.0002","13.3868","0.0003","15.9828","0.0003","68.3485","0.001","78.4895","0.0013","89.839","0.0012","2224.2","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate","","- C45 H30 Cl8 N4 Sb2 -","- C45 H30 Cl8 N4 Sb2 -","- C90 H60 Cl16 N8 Sb4 -","2","1","GK2479","Soury, Raoudha; Belkhiria, Mohamed Sahah; Nasri, Habib; Parvez, Masood","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","6","m717","m718","10.1107/S1600536812018351","","","0.71073","MoKα","","0.0718","0.0524","","","0.1017","0.1141","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235003","9.227","0.004","10.085","0.004","23.699","0.009","81.92","0.04","87.52","0.04","85.9","0.04","2176.6","1.5","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","","- C26 H25 F N4 O -","- C26 H25 F N4 O -","- C104 H100 F4 N16 O4 -","4","2","GK2480","Cieplik, Jerzy; Stolarczyk, Marcin; Bryndal, Iwona; Lis, Tadeusz","5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","6","o1729","o1730","10.1107/S1600536812021046","","","0.71073","MoKα","","0.1281","0.0533","","","0.0726","0.0788","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235004","8.3483","0.0003","13.8354","0.0006","17.9813","0.0008","90.81","0.004","92.841","0.004","96.09","0.004","2062.22","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","sulfamethazine 4-nitrobenzoic acid (1:1) adduct","4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","","- C19 H19 N5 O6 S -","- C19 H19 N5 O6 S -","- C76 H76 N20 O24 S4 -","4","2","GK2481","Smith, Graham; Wermuth, Urs D.","4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1649","o1650","10.1107/S1600536812019563","","","0.71073","MoKα","","0.0552","0.0369","","","0.0882","0.0925","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235005","35.7118","0.0006","6.17734","0.00011","7.48599","0.00015","90","","93.0377","0.0015","90","","1649.12","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","(2R,3R)-3-O-Benzoyl-N-benzyltartramide","(2R,3R)-4-benzylamino-2-benzoyloxy-3-hydroxy-4-oxobutanoic acid","","- C18 H17 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","GK2491","Madura, Izabela D.; Zachara, Janusz; Bernaś, Urszula; Hajmowicz, Halina; Synoradzki, Ludwik","(2R,3R)-3-O-Benzoyl-N-benzyltartramide","Acta Crystallographica Section E","2012","68","6","o1891","o1892","10.1107/S1600536812022933","","","1.5418","CuKα","","0.0265","0.0264","","","0.0709","0.0709","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235006","9.1473","0.0007","5.8265","0.0003","15.4299","0.0007","90","","101.155","0.005","90","","806.83","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenyl)acetic acid","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","GK2495","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Narayana, B.","2-(2-Chlorophenyl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1940","","10.1107/S1600536812023938","","","0.71073","MoKα","","0.0712","0.0515","","","0.1298","0.1446","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235007","12.04","0.002","8.8133","0.0018","12.715","0.003","90","","112.62","0.03","90","","1245.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate","","- C22 H34 N2 O6 S2 -","- C22 H34 N2 O6 S2 -","- C44 H68 N4 O12 S4 -","2","0.5","GO2054","Xu, Qian","Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1733","","10.1107/S1600536812020041","","","0.71073","MoKα","","0.0897","0.0577","","","0.1196","0.1339","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235008","6.0101","0.0012","10.724","0.002","22.156","0.004","81.92","0.03","87.17","0.03","77.22","0.03","1378.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3,3,3',3'-Tetramethyl-6,6'-bis[(pyridin-4-yl)methoxy]-1,1'-spirobiindane monohydrate","","- C33 H36 N2 O3 -","- C33 H36 N2 O3 -","- C66 H72 N4 O6 -","2","1","GO2055","Zhang, Ya-Jie; Sun, Yan; Gao, Shu-Mei; Jiang, Xiao-Qing; Deng, Yu-Heng","3,3,3',3'-Tetramethyl-6,6'-bis[(pyridin-4-yl)methoxy]-1,1'-spirobiindane monohydrate","Acta Crystallographica Section E","2012","68","6","o1763","o1764","10.1107/S1600536812021289","","","0.71073","MoKα","","0.0826","0.0685","","","0.1302","0.1372","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235009","8.7725","0.0018","8.8259","0.0018","11.894","0.002","101.98","0.03","101.04","0.03","110.13","0.03","810.4","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetato-κ^4^O:O-bis({2-[(piperidin-2- ylmethyl)iminomethyl]phenolato-κ^3^N,N',O}copper(II)) monohydrate","","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","1","0.5","GW2117","Wang, Xiao-qin","Di-μ-acetato-κ^4^O:O-bis({2-[(piperidin-2-ylmethyl)iminomethyl]phenolato-κ^3^N,N',O}copper(II)) monohydrate","Acta Crystallographica Section E","2012","68","6","m833","","10.1107/S1600536812023070","","","0.71073","MoKα","","0.072","0.0405","","","0.1001","0.1364","","","","","","1.241","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235010","7.438","0.0015","8.76","0.0018","15.892","0.003","89.48","0.03","84.57","0.03","73.74","0.03","989.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-{(1Z)-1-[3-(2,4-Dichlorophenoxy)propoxy]-1-(2,4-difluorophenyl)prop- 1-en-2-yl}-1H-1,2,4-triazole","","- C20 H17 Cl2 F2 N3 O2 -","- C20 H17 Cl2 F2 N3 O2 -","- C40 H34 Cl4 F4 N6 O4 -","2","1","HB6698","Luan, Yuan-yuan; Hu, Yong-hong; Guo, Song; Zhu, Jing; Yang, Wen-ge","1-{(1Z)-1-[3-(2,4-Dichlorophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl}-1H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","6","o1780","","10.1107/S1600536812017874","","","0.71073","MoKα","","0.0774","0.0537","","","0.1425","0.1577","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235011","9.4128","0.0003","10.5636","0.0005","19.2052","0.0006","90","","102.347","0.001","90","","1865.46","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-methyl-6-(propan-2-ylamino)-4-sulfanylidene-3H,11H- pyrimido[1,6-c]quinazoline-1-carboxylate","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C72 H88 N16 O8 S4 -","4","1","HB6711","Li, Hong-Xia; Song, Yu-Su; Qu, Yong-nian; Lu, Jiang-Bing; Wang, Hong-Mei","Ethyl 2-methyl-6-(propan-2-ylamino)-4-sulfanylidene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxylate","Acta Crystallographica Section E","2012","68","6","o1821","","10.1107/S1600536812019952","","","0.71073","MoKα","","0.0624","0.0497","","","0.1315","0.1393","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235012","12.201","0.002","12.461","0.003","12.377","0.003","90","","105.1","0.03","90","","1816.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-diazoniabicyclo[2.2.2]octane hexaaquacadmium bis(sulfate)","","- C6 H26 Cd N2 O14 S2 -","- C6 H26 Cd N2 O14 S2 -","- C24 H104 Cd4 N8 O56 S8 -","4","1","HB6712","Wang, Bi-Qin; Yan, Hai-Biao; Fang, Ci-Jun; Zhang, Zhi","A new dabco-templated metal sulfate: 1,4-diazoniabicyclo[2.2.2]octane hexaaquacadmium bis(sulfate)","Acta Crystallographica Section E","2012","68","6","m759","m760","10.1107/S1600536812020089","","","0.71073","MoKα","","0.0281","0.0262","","","0.0645","0.0655","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235013","24.249","0.013","3.7925","0.0019","22.609","0.013","90","","91.866","0.009","90","","2078.1","1.9","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)quinoxaline","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C112 H72 F8 N16 -","8","1","HB6725","Wang, Cui-Ping; Ma, Saiyong; Yu, Jiang-Long; Yan, Jing-Bo; Zhang, Zhi-Qiang","2-(4-Fluorophenyl)quinoxaline","Acta Crystallographica Section E","2012","68","6","o1779","","10.1107/S1600536812017771","","","0.71073","MoKα","","0.0465","0.0364","","","0.1038","0.1087","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235014","6.4381","0.0013","7.603","0.0015","11.956","0.002","94.9","0.03","100.42","0.03","102.7","0.03","556.7","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(E)-2,4-dichlorobenzaldehyde O-cyclopropanecarbonyl oxime","(E)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate","","- C11 H9 Cl2 N O2 -","- C11 H9 Cl2 N O2 -","- C22 H18 Cl4 N2 O4 -","2","1","HB6735","Wang, Mei-Yi; Zhang, Ya","(E)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate","Acta Crystallographica Section E","2012","68","6","o1594","","10.1107/S1600536812018016","","","0.71073","MoKα","","0.0338","0.0273","","","0.0738","0.0757","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235015","10.7897","0.0002","13.2457","0.0003","15.6436","0.0004","90","","90","","90","","2235.74","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oxaline","","- C24 H25 N5 O4 -","- C24 H25 N5 O4 -","- C96 H100 N20 O16 -","4","1","HB6738","Qu, Peng; Wu, Zhi-Yong; Zhu, Wei-Ming","Redetermined structure of oxaline: absolute configuration using Cu Kα radiation","Acta Crystallographica Section E","2012","68","6","o1626","","10.1107/S1600536812019423","","","1.54178","CuKα","","0.0351","0.0349","","","0.0892","0.0894","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235016","12.275","0.003","4.649","0.0009","30.887","0.006","90","","90.18","0.03","90","","1762.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","","- C22 H14 Cl N3 -","- C22 H14 Cl N3 -","- C88 H56 Cl4 N12 -","4","1","HB6750","Wei, Hong-Xia; Zhu, Jing; Li, Ming; Wang, Jian-qiang; Guo, Cheng","2-Amino-4-(2-chlorophenyl)-6-(naphthalen-1-yl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1839","","10.1107/S1600536812020909","","","0.71073","MoKα","","0.1679","0.069","","","0.133","0.1851","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235017","8.3141","0.0001","17.3978","0.0003","11.5729","0.0002","90","","94.309","0.001","90","","1669.25","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C76 H68 N4 O24 -","4","1","HB6754","Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Kotresh, O.; Jeyaseelan, S.; Devarajegowda, H. C.","Methyl N-{4-[(4-methoxyphenoxy)methyl]-2-oxo-2H-chromen-7-yl}carbamate","Acta Crystallographica Section E","2012","68","6","o1734","","10.1107/S160053681202048X","","","0.71073","MoKα","","0.0466","0.0354","","","0.0962","0.1025","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235018","11.2593","0.0004","21.2182","0.0007","8.6041","0.0003","90","","103.678","0.003","90","","1997.24","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[Bis(benzylsulfanyl)methylidene]benzohydrazide","","- C21 H19 N3 O S2 -","- C21 H19 N3 O S2 -","- C84 H76 N12 O4 S8 -","4","1","HB6755","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","N'-[Bis(benzylsulfanyl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1640","o1641","10.1107/S1600536812019472","","","1.5418","CuKα","","0.0357","0.0346","","","0.0962","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235019","13.7269","0.0009","25.3723","0.0016","11.4574","0.0007","90","","100.643","0.001","90","","3921.8","0.4","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3- diyl]bis[(pyridin-2-yl)methanone]‒butan-2-one (1/1)","","- C51 H45 N3 O4 -","- C51 H45 N3 O4 -","- C204 H180 N12 O16 -","4","1","HB6756","Fun, Hoong-Kun; Ooi, Chin Wei; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","[2,6-Bis(biphenyl-4-yl)-4-hydroxy-4-(pyridin-2-yl)cyclohexane-1,3-diyl]bis[(pyridin-2-yl)methanone]‒butan-2-one (1/1)","Acta Crystallographica Section E","2012","68","6","o1633","o1634","10.1107/S1600536812019241","","","0.71073","MoKα","","0.078","0.0492","","","0.1247","0.1434","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235020","17.2","0.003","5.6604","0.0011","17.524","0.004","90","","92.56","0.03","90","","1704.4","0.6","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole","","- C16 H12 Cl2 N2 S3 -","- C16 H12 Cl2 N2 S3 -","- C64 H48 Cl8 N8 S12 -","4","0.5","HB6758","Sun, Na-Bo; Jin, Jian-Zhong; Ke, Wei","2,5-Bis[(3-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole","Acta Crystallographica Section E","2012","68","6","o1620","","10.1107/S1600536812019150","","","0.71073","MoKα","","0.0262","0.0239","","","0.0618","0.0633","","","","","","1.171","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235021","6.2975","0.0013","7.018","0.0014","7.2143","0.0014","71.54","0.03","86.62","0.03","85.54","0.03","301.32","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,4-Dimethylpiperazine-1,4-diium dibromide dihydrate","","- C6 H20 Br2 N2 O2 -","- C6 H20 Br2 N2 O2 -","- C6 H20 Br2 N2 O2 -","1","0.5","HB6759","Sun, Su-Wen","1,4-Dimethylpiperazine-1,4-diium dibromide dihydrate","Acta Crystallographica Section E","2012","68","6","o1703","","10.1107/S1600536812020272","","","0.71073","MoKα","","0.0702","0.0592","","","0.1599","0.1685","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235022","23.2016","0.0005","8.1526","0.0002","16.9992","0.0004","90","","121.274","0.001","90","","2748.23","0.11","100","1","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethyl-1H-benzimidazol-1-ium) bis(hexaflourophosphate)","","- C26 H28 F12 N4 P2 -","- C26 H28 F12 N4 P2 -","- C104 H112 F48 N16 P8 -","4","0.5","HB6760","Haque, Rosenani A.; Iqbal, Muhammad Adnan; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethyl-1H-benzimidazol-1-ium) bis(hexaflourophosphate)","Acta Crystallographica Section E","2012","68","6","o1635","","10.1107/S1600536812019344","","","0.71073","MoKα","","0.0621","0.0458","","","0.0914","0.098","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235023","15.382","0.005","8.234","0.003","13.32","0.004","90","","111.531","0.015","90","","1569.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(E)-N-(pyridin-3-ylmethylidene)hydroxylamine- κN^1^]silver(I) perchlorate","","- C12 H12 Ag Cl N4 O6 -","- C12 H12 Ag Cl N4 O6 -","- C48 H48 Ag4 Cl4 N16 O24 -","4","0.5","HB6761","Xu, Jing; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.","Bis[(E)-N-(pyridin-3-ylmethylidene)hydroxylamine-κN^1^]silver(I) perchlorate","Acta Crystallographica Section E","2012","68","6","m735","m736","10.1107/S1600536812019290","","","0.71073","MoKα","","0.0795","0.0477","","","0.118","0.1468","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235024","8.9803","0.0018","14.689","0.003","19.249","0.004","81.75","0.03","87.66","0.03","80.32","0.03","2476.7","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Dibutyl-N,N,N',N'- tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)]","","- C14 H34 Cl6 Fe2 N2 O -","- C14 H34 Cl6 Fe2 N2 O -","- C56 H136 Cl24 Fe8 N8 O4 -","4","2","HB6765","Närhi, Sari M.; Kostamo, Jatta; Asikkala, Janne; Oilunkaniemi, Raija; Laitinen, Risto S.","N,N'-Dibutyl-N,N,N',N'-tetramethylethane-1,2-diaminium μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2012","68","6","m748","","10.1107/S1600536812019964","","","0.71073","MoKα","","0.0566","0.0447","","","0.1127","0.128","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235025","6.8276","0.0007","9.2782","0.0009","14.5907","0.0014","88.812","0.002","86.085","0.003","75.394","0.002","892.33","0.15","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","N-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide","","- C18 H22 Br N3 O S -","- C18 H22 Br N3 O S -","- C36 H44 Br2 N6 O2 S2 -","2","1","HB6767","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.; Chia, Tze Shyang; Fun, Hoong-Kun","N-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide","Acta Crystallographica Section E","2012","68","6","o1665","","10.1107/S1600536812019204","","","0.71073","MoKα","","0.0548","0.0419","","","0.1057","0.1143","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235026","32.657","0.003","4.7861","0.0015","8.7596","0.0012","90","","90","","90","","1369.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-Methyl-N'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","HB6769","Hu, Hua-Nan; Liu, Shi-Yong","(E)-4-Methyl-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1613","","10.1107/S1600536812019198","","","0.71073","MoKα","","0.064","0.0487","","","0.0965","0.1031","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235027","16.302","0.003","6.1012","0.001","8.0318","0.0013","90","","90","","90","","798.9","0.2","160","2","160","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Cyano-1-methylpyridinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","0.5","HB6770","Koplitz, Lynn V.; Mague, Joel T.; Kammer, Michael N.; McCormick, Cameron A.; Renfro, Heather E.; Vumbaco, David J.","2-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","6","o1653","","10.1107/S1600536812019460","","","0.71073","MoKα","","0.0638","0.059","","","0.1523","0.1564","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235028","11.055","0.0003","11.9763","0.0004","13.1146","0.0003","77.457","0.001","72.163","0.002","73.981","0.001","1571.92","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl (3E)-3-[2-(4-bromophenylsulfonyl)hydrazin-1-ylidene]butanoate","","- C12 H15 Br N2 O4 S -","- C12 H15 Br N2 O4 S -","- C48 H60 Br4 N8 O16 S4 -","4","2","HB6771","Murtaza, Shahzad; Kausar, Naghmana; Abbas, Aadil; Tahir, M. Nawaz; Zulfiqar, Muhammad","Ethyl (3E)-3-[2-(4-bromophenylsulfonyl)hydrazin-1-ylidene]butanoate","Acta Crystallographica Section E","2012","68","6","o1616","","10.1107/S1600536812019265","","","0.71073","MoKα","","0.0772","0.0492","","","0.1216","0.1349","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235029","10.8301","0.0002","7.463","0.0001","21.7213","0.0003","90","","90","","90","","1755.62","0.05","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(5-Bromo-1-benzofuran-2-yl)ethanone","","- C10 H7 Br O2 -","- C10 H7 Br O2 -","- C80 H56 Br8 O16 -","8","1","HB6772","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.","1-(5-Bromo-1-benzofuran-2-yl)ethanone","Acta Crystallographica Section E","2012","68","6","o1682","","10.1107/S160053681201985X","","","0.71073","MoKα","","0.0359","0.0236","","","0.0534","0.0577","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235030","5.4531","0.0006","7.9283","0.0009","15.1758","0.0017","94.271","0.002","92.613","0.002","90.83","0.002","653.5","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-N'-(2-phenylacetyl)acetohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","HB6773","Abdel-Aziz, Hatem A.; Quah, Ching Kheng; Fun, Hoong-Kun","2-Phenyl-N'-(2-phenylacetyl)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1680","","10.1107/S1600536812019861","","","0.71073","MoKα","","0.0627","0.0411","","","0.1121","0.134","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235031","4.0047","0.001","13.424","0.003","10.938","0.003","90","","99.65","0.005","90","","579.7","0.3","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","6-(4-Bromophenyl)-3-methyl-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine","","- C11 H9 Br N4 S -","- C11 H9 Br N4 S -","- C22 H18 Br2 N8 S2 -","2","1","HB6774","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Attia, Mohamed I.","6-(4-Bromophenyl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","Acta Crystallographica Section E","2012","68","6","o1681","","10.1107/S1600536812019885","","","0.71073","MoKα","","0.0626","0.0568","","","0.147","0.1521","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235032","13.2629","0.0005","7.9118","0.0003","24.9235","0.0008","90","","90","","90","","2615.31","0.16","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C120 H104 F8 N16 O8 -","8","1","HB6775","Hu, Hua-Nan; Liu, Shi-Yong","(E)-N'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1643","","10.1107/S1600536812019484","","","0.71073","MoKα","","0.0509","0.041","","","0.1134","0.1231","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235033","7.0072","0.0003","8.9402","0.0004","13.3438","0.0006","98.184","0.003","90.51","0.002","98.389","0.003","818.19","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","rac-(3S,4Z)-3-Chloro-4-[2-(3- fluorobenzylidene)hydrazinylidene]- 3-chloro-1-methyl-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","","- C16 H13 Cl F N3 O2 S -","- C16 H13 Cl F N3 O2 S -","- C32 H26 Cl2 F2 N6 O4 S2 -","2","1","HB6778","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Ahmad, Saeed","rac-(3S,4Z)-3-Chloro-4-[2-(3-fluorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1787","","10.1107/S1600536812021654","","","0.71073","MoKα","","0.1012","0.0501","","","0.0998","0.1201","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235034","8.5133","0.0004","19.8999","0.0008","12.7849","0.0006","90","","105.026","0.002","90","","2091.88","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-1-methyl- 3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","","- C24 H18 Cl N3 O2 S -","- C24 H18 Cl N3 O2 S -","- C96 H72 Cl4 N12 O8 S4 -","4","1","HB6779","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Bokhari, Tanveer Hussain; Asghar, Muhammad Nadeem","4-[2-(Anthracen-9-ylmethylidene)hydrazinylidene]-3-chloro-1-methyl-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1788","","10.1107/S1600536812021642","","","0.71073","MoKα","","0.0659","0.0474","","","0.123","0.1359","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235035","8.9735","0.0003","20.7073","0.0008","10.4048","0.0005","90","","122.901","0.003","90","","1623.29","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Bis-(methyl-DL-alanylcarbonyl)pyridine carboxylate","Methyl 2-{6-[(1-methoxy-1-oxopropan-2-yl)aminocarbonyl]pyridine-2- carboxamido}propanoate","","- C15 H19 N3 O6 -","- C15 H19 N3 O6 -","- C60 H76 N12 O24 -","4","1","HB6780","Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","Methyl 2-{6-[(1-methoxy-1-oxopropan-2-yl)aminocarbonyl]pyridine-2-carboxamido}propanoate","Acta Crystallographica Section E","2012","68","6","o1837","o1838","10.1107/S1600536812022258","","","1.54178","CuKα","","0.0673","0.0532","","","0.176","0.1922","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235036","7.6414","0.0001","7.6748","0.0001","10.5644","0.0002","109.589","0.001","91.405","0.001","93.26","0.001","582.132","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-Cyano-N'-(1,2,3,4-tetrahydronaphthalen-1- ylidene)acetohydrazide","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C26 H26 N6 O2 -","2","1","HB6781","Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(E)-2-Cyano-N'-(1,2,3,4-tetrahydronaphthalen-1-ylidene)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1740","","10.1107/S160053681202106X","","","1.54178","CuKα","","0.0448","0.0427","","","0.1181","0.1204","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235037","9.8548","0.0002","25.0714","0.0006","16.0566","0.0004","90","","107.023","0.001","90","","3793.35","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-5-carboxylate","","- C23 H17 F3 N2 O2 -","- C23 H17 F3 N2 O2 -","- C184 H136 F24 N16 O16 -","8","2","HB6782","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1864","o1865","10.1107/S1600536812022210","","","0.71073","MoKα","","0.134","0.0618","","","0.1153","0.1417","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235038","22.23","0.0007","7.6367","0.0003","15.6482","0.0006","90","","126.234","0.001","90","","2142.76","0.14","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[(E)-3,4-Dimethoxybenzylidene]hydrazinecarboxamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C80 H104 N24 O24 -","8","1","HB6783","Tahir, M. Nawaz; Umar, M. Naveed; Ali, Akbar; Shad, Hazoor Ahmad","2-[(E)-3,4-Dimethoxybenzylidene]hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","6","o1724","","10.1107/S1600536812020739","","","0.71073","MoKα","","0.0753","0.0429","","","0.1015","0.1209","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235039","17.566","0.004","11.961","0.002","18.514","0.004","90","","116.65","0.03","90","","3476.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~6~-benzene-1,3,5-tricarboxylato- κ^7^O^1^,O^1'^:O^1'^:O^3^:O^3'^: O^5^:O^5'^)tetrakis(dimethylformamide- κO)trimagnesium(II)]","","- C30 H34 Mg3 N4 O16 -","- C30 H34 Mg3 N4 O16 -","- C120 H136 Mg12 N16 O64 -","4","1","HB6785","Łuczyńska-Szymczak, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","Poly[bis(μ~6~-benzene-1,3,5-tricarboxylato-κ^7^O^1^,O^1'^:O^1'^:O^3^:O^3'^:O^5^:O^5'^)tetrakis(dimethylformamide-κO)trimagnesium(II)]","Acta Crystallographica Section E","2012","68","6","m852","m853","10.1107/S1600536812023240","","","0.71073","MoKα","","0.1562","0.0405","","","0.1087","0.1441","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235040","8.302","0.0012","9.7232","0.0014","7.665","0.001","90","","97.855","0.013","90","","612.93","0.15","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl 3-aminocrotonate","Methyl 3-aminobut-2-enoate","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","HB6788","Wang, Xiao; Zhang, Li-Zhu","Methyl 3-aminobut-2-enoate","Acta Crystallographica Section E","2012","68","6","o1930","","10.1107/S160053681202288X","","","1.54187","CuKα","","0.0695","0.0673","","","0.1372","0.141","","","","","","1.199","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235041","10.502","0.002","7.649","0.003","19.235","0.004","90","","103.395","0.015","90","","1503.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-2-methyl-1,1-dioxo-N-phenyl-2H- 1λ^6^,2-benzothiazine-3-carboxamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","HB6789","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Parvez, Masood","4-Hydroxy-2-methyl-1,1-dioxo-N-phenyl-2H-1λ^6^,2-benzothiazine-3-carboxamide","Acta Crystallographica Section E","2012","68","6","o1790","","10.1107/S1600536812021708","","","0.71073","MoKα","","0.0602","0.048","","","0.1104","0.1186","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235042","14.3951","0.0003","8.7449","0.0002","21.1047","0.0004","90","","90","","90","","2656.74","0.1","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-4-Hydroxy-N'-(2-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","HB6791","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(E)-4-Hydroxy-N'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1832","","10.1107/S1600536812021952","","","0.71073","MoKα","","0.0596","0.0436","","","0.1044","0.1144","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235043","13.8258","0.0006","5.4278","0.0003","21.0715","0.0009","90","","101.857","0.003","90","","1547.54","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5Z)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3- thiazolidin-4-one","","- C17 H13 N O2 S2 -","- C17 H13 N O2 S2 -","- C68 H52 N4 O8 S8 -","4","1","HB6792","Shahwar, Durre; Tahir, M. Nawaz; Kashif, Misbah; Saeed, Afifa; Bukhari, Sana","(5Z)-5-(2-Hydroxybenzylidene)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","6","o1818","","10.1107/S1600536812021630","","","0.71073","MoKα","","0.1196","0.0468","","","0.081","0.1014","","","","","","0.93","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235044","5.4598","0.0004","12.3285","0.0012","13.0441","0.0013","95.412","0.003","96.482","0.002","94.238","0.002","865.33","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-{[(2-Hydroxy-3,5-dimethylbenzyl)(methyl)amino]methyl}-4,6-dimethylphenol","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C38 H50 N2 O4 -","2","1","HB6793","Veranitisagul, Chatchai; Wattanathana, Worawat; Kaewvilai, Attaphon; Duangthongyou, Tanwawan; Laobuthee, Apirat; Koonsaeng, Nattamon","2-{[(2-Hydroxy-3,5-dimethylbenzyl)(methyl)amino]methyl}-4,6-dimethylphenol","Acta Crystallographica Section E","2012","68","6","o1826","","10.1107/S1600536812022180","","","0.71073","MoKα","","0.0755","0.0495","","","0.1492","0.1822","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235045","6.3452","0.0013","6.6731","0.0013","11.077","0.002","90","","95.61","0.03","90","","466.78","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-bis(cyanomethyl)piperazine","2,2'-(Piperazine-1,4-diyl)diacetonitrile","","- C8 H12 N4 -","- C8 H12 N4 -","- C16 H24 N8 -","2","0.5","HB6795","Gao, Wei; Yang, Jing; Wang, Xin-Ling; Zhou, Ning; Wu, Xue-Fen","2,2'-(Piperazine-1,4-diyl)diacetonitrile","Acta Crystallographica Section E","2012","68","6","o1798","","10.1107/S1600536812021733","","","0.71073","MoKα","","0.0595","0.0459","","","0.1416","0.1502","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235046","7.7698","0.0016","20.462","0.004","9.856","0.002","90","","113.09","0.03","90","","1441.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Hydroxy-3-methoxyphenyl)-1H-benzimidazol-3-ium perchlorate","","- C14 H13 Cl N2 O6 -","- C14 H13 Cl N2 O6 -","- C56 H52 Cl4 N8 O24 -","4","1","HB6796","Chen, Chuan; Li, Hong-Xing; Hou, Guang-Feng; Li, Guang-Ming","2-(2-Hydroxy-3-methoxyphenyl)-1H-benzimidazol-3-ium perchlorate","Acta Crystallographica Section E","2012","68","6","o1920","","10.1107/S1600536812023422","","","0.71073","MoKα","","0.0951","0.0511","","","0.1182","0.1395","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235047","15.514","0.003","15.021","0.003","16.155","0.003","90","","90","","90","","3764.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltriethylammonium tetrachloridoferrate(III)","","- C13 H22 Cl4 Fe N -","- C13 H22 Cl4 Fe N -","- C104 H176 Cl32 Fe8 N8 -","8","1","HB6797","Jin, Lei","Benzyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","6","m805","","10.1107/S1600536812023008","","","0.71073","MoKα","","0.1091","0.0682","","","0.1511","0.1704","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235048","9.7278","0.0003","12.4327","0.0003","14.2607","0.0004","90","","100.725","0.001","90","","1694.6","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","HB6798","Shafiq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Bukhari, Iftikhar Hussain; Ejaz","1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","6","o1927","","10.1107/S1600536812022982","","","0.71073","MoKα","","0.072","0.0455","","","0.1296","0.1507","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235049","12.8185","0.0004","14.9912","0.0004","16.6456","0.0005","83.374","0.001","81.38","0.001","74.099","0.001","3032.25","0.16","100","1","100","","","","","","","","","6","P -1","-P 1","2","","[μ-Bis(di-o-tolylphosphanyl)methane- 1:2κ^2^P:P']nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-(triphenyl phosphite-3κP)-triangulo-triruthenium(0) chloroform disolvate","","- C58 H47 Cl6 O12 P3 Ru3 -","- C58 H47 Cl6 O12 P3 Ru3 -","- C116 H94 Cl12 O24 P6 Ru6 -","2","1","HB6801","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(di-o-tolylphosphanyl)methane-1:2κ^2^P:P']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triphenyl phosphite-3κP)-triangulo-triruthenium(0) chloroform disolvate","Acta Crystallographica Section E","2012","68","6","m812","m813","10.1107/S1600536812023227","","","0.71073","MoKα","","0.0338","0.0306","","","0.0872","0.0913","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235050","6.9656","0.0002","11.2404","0.0003","14.6014","0.0003","96.108","0.001","90.415","0.001","104.764","0.001","1098.51","0.05","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","(2E)-3-(4-Cyanophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''- terphenyl-4'-yl)prop-2-en-1-one","","- C29 H19 F2 N O2 -","- C29 H19 F2 N O2 -","- C58 H38 F4 N2 O4 -","2","1","HB6802","Fun, Hoong-Kun; Loh, Wan-Sin; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2E)-3-(4-Cyanophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1877","o1878","10.1107/S1600536812023124","","","0.71073","MoKα","","0.0689","0.0501","","","0.1056","0.1123","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235051","5.8623","0.0002","10.9912","0.0005","12.2815","0.0005","68.214","0.001","84.707","0.001","87.623","0.001","731.67","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone","","- C16 H14 Cl N3 O2 -","- C16 H14 Cl N3 O2 -","- C32 H28 Cl2 N6 O4 -","2","1","HB6803","Fun, Hoong-Kun; Arshad, Suhana; Shyma, P. C.; Kalluraya, Balakrishna; Arulmoli, T.","1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone","Acta Crystallographica Section E","2012","68","6","o1901","","10.1107/S1600536812023100","","","0.71073","MoKα","","0.0415","0.0373","","","0.1112","0.1159","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235052","6.6309","0.0003","22.7059","0.001","13.3019","0.0005","90","","119.559","0.002","90","","1742.08","0.13","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H- 1,2,3-triazole-4-carbohydrazide","","- C17 H12 Cl2 N6 O3 -","- C17 H12 Cl2 N6 O3 -","- C68 H48 Cl8 N24 O12 -","4","1","HB6804","Fun, Hoong-Kun; Arshad, Suhana; Nithinchandra; Kalluraya, Balakrishna; Vidyashree, J. H. S.","N'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide","Acta Crystallographica Section E","2012","68","6","o1902","","10.1107/S1600536812023112","","","0.71073","MoKα","","0.0452","0.0367","","","0.0934","0.0991","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235053","6.81","0.004","6.506","0.004","15.277","0.009","90","","90","","90","","676.9","0.7","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate","","- C4 H9 N3 O3 -","- C4 H9 N3 O3 -","- C16 H36 N12 O12 -","4","0.5","HB6806","Gao, Wei; Wang, Xin-Ling; Yang, Jing; Wu, Xue-Fen","3-Methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one monohydrate","Acta Crystallographica Section E","2012","68","6","o1925","","10.1107/S1600536812023380","","","0.71073","MoKα","","0.0375","0.0323","","","0.0871","0.0899","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235054","13.3132","0.0007","3.9387","0.0002","16.5476","0.0009","90","","112.318","0.002","90","","802.7","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Dibromo-4-chloroaniline","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","1","HB6810","Ali, Umar Sharif; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz","2,6-Dibromo-4-chloroaniline","Acta Crystallographica Section E","2012","68","6","o1904","","10.1107/S1600536812023331","","","0.71073","MoKα","","0.0417","0.0242","","","0.0519","0.0564","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235055","10.416","0.002","16.87","0.003","14.311","0.003","90","","100.57","0.03","90","","2472","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[Bis(4-fluorophenyl)methyl]-4-[2-(naphthalen-2-yloxy)ethyl]piperazine","","- C29 H28 F2 N2 O -","- C29 H28 F2 N2 O -","- C116 H112 F8 N8 O4 -","4","1","HB6811","Zhong, Yan; Wu, Bin","1-[Bis(4-fluorophenyl)methyl]-4-[2-(naphthalen-2-yloxy)ethyl]piperazine","Acta Crystallographica Section E","2012","68","6","o1974","","10.1107/S1600536812024129","","","0.71073","MoKα","","0.0996","0.0584","","","0.1606","0.1815","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235056","8.855","0.0018","12.827","0.003","22.432","0.005","90","","90","","90","","2547.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4- fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","","- C28 H28 F2 N2 O2 -","- C28 H28 F2 N2 O2 -","- C112 H112 F8 N8 O8 -","4","1","HB6812","Zhong, Yan; Wu, Bin","(E)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4-fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1975","","10.1107/S1600536812024130","","","0.71073","MoKα","","0.1271","0.0634","","","0.134","0.1598","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235057","16.2979","0.0011","6.1103","0.0004","18.2336","0.0012","90","","104.975","0.004","90","","1754.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-[(E,E)-cis-(Cyclohexane-1,4- diyl)bis(nitrilomethanylylidene)]diphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","HB6813","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.","2,2'-[(E,E)-cis-(Cyclohexane-1,4-diyl)bis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","6","o1905","","10.1107/S1600536812023367","","","0.71073","MoKα","","0.1319","0.05","","","0.1075","0.1399","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235058","11.0697","0.0014","13.4436","0.0016","9.1643","0.0011","90","","96.576","0.002","90","","1354.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-(2-Chlorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","HB6816","Wang, De-Cheng; Li, Xiao-Rong; Gao, Lei; Hai, Yong; Wang, Jiang-Ning","N'-(2-Chlorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1960","","10.1107/S1600536812024099","","","0.71073","MoKα","","0.0513","0.0368","","","0.094","0.104","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235059","10.364","0.0004","7.6408","0.0003","18.1106","0.0007","90","","91.099","0.003","90","","1433.9","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-({[(2-methylphenyl)methyl]disulfanyl}methyl)benzene","","- C16 H18 S2 -","- C16 H18 S2 -","- C64 H72 S8 -","4","1","HB6818","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","1-Methyl-2-({[(2-methylphenyl)methyl]disulfanyl}methyl)benzene","Acta Crystallographica Section E","2012","68","6","o1953","","10.1107/S160053681202418X","","","1.5418","CuKα","","0.036","0.0349","","","0.0946","0.0957","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235060","11.2875","0.0006","13.0874","0.0007","16.3325","0.0009","93.902","0.001","107.537","0.001","95.31","0.001","2279","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2- ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl- 6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate","","- C48 H55 Cl N6 Ni O8 -","- C48 H55 Cl N6 Ni O8 -","- C96 H110 Cl2 N12 Ni2 O16 -","2","1","HB6819","Liu, Ming; Mao, Jia-Wei; Pan, Zhi-Quan","[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2-ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl-6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate","Acta Crystallographica Section E","2012","68","6","m860","m861","10.1107/S1600536812024191","","","0.71073","MoKα","","0.0462","0.0371","","","0.1296","0.1651","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235061","12.9935","0.0016","4.799","0.0004","23.433","0.003","90","","95.506","0.007","90","","1454.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(2-Aminophenyl)sulfanyl]-N-(4-methoxyphenyl)acetamide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","HB6821","Murtaza, Shahzad; Tahir, M. Nawaz; Tariq, Javaria; Abbas, Aadil; Kausar, Naghmana","2-[(2-Aminophenyl)sulfanyl]-N-(4-methoxyphenyl)acetamide","Acta Crystallographica Section E","2012","68","6","o1968","","10.1107/S1600536812024178","","","0.71073","MoKα","","0.1121","0.0498","","","0.0971","0.1213","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235062","29.075","0.003","12.1376","0.0011","16.9475","0.0007","90","","94.992","0.005","90","","5958.1","0.9","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(15E,40E,60E)-65,74-bis(prop-2-en-1-yloxy)- 13,18,38,43,58,63-hexaoxadodecacyclo[28.26.8.7^20,36^.1^11,45^.1^51,55^. 0^5,57^.0^7,12^.0^19,24^.0^26,64^.0^32,37^.0^44,49^.1^68,72^]tetraheptaconta- 1,3,5(57),7,9,11,15,19(24),20,22,26,28,30(64),32,34,36,40,44(49),45,47,51,53, 55(65),60,68,70,72(74)-heptacosaene","","- C74 H68 O8 -","- C73.994 H68 O8 -","- C295.976 H272 O32 -","4","0.5","HG5194","Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.","A bis-calixarene from olefin metathesis","Acta Crystallographica Section E","2012","68","6","o1833","o1834","10.1107/S1600536812022325","","","1.54184","CuKα","","0.1108","0.0722","","","0.2081","0.261","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235063","7.1646","0.0016","9.369","0.002","12.647","0.003","75.313","0.004","78.864","0.004","74.155","0.004","783","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Aqua[6-carboxylato-N'-(pyridin-2-ylmethylidene)pyridine-2- carbohydrazidato]copper(II) trihydrate","","- C13 H16 Cu N4 O7 -","- C13 H16 Cu N4 O7 -","- C26 H32 Cu2 N8 O14 -","2","1","HG5211","Huang, Yu-Min; Wu, Wen-Shi; Wang, Xin-Yu","Aqua[6-carboxylato-N'-(pyridin-2-ylmethylidene)pyridine-2-carbohydrazidato]copper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m783","","10.1107/S1600536812021447","","","0.71073","MoKα","","0.0336","0.0322","","","0.0958","0.097","","","","","","1.089","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235064","5.927","0.004","11.241","0.008","14.9","0.01","90","","90","","90","","992.7","1.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[(E)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","","- C7 H12 N2 O2 S2 -","- C7 H12 N2 O2 S2 -","- C28 H48 N8 O8 S8 -","4","1","HG5213","Yang, Shuang-Hua; Zhai, Zhi-Wei","Dimethyl[(E)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","Acta Crystallographica Section E","2012","68","6","o1749","","10.1107/S1600536812021307","","","0.71073","MoKα","","0.0493","0.0433","","","0.0865","0.0898","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235065","26.267","0.0004","26.3371","0.0004","15.9037","0.0003","90","","111.871","0.0019","90","","10210.2","0.3","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazol-5(4H)-one","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C416 H544 N96 O64 -","32","8","HG5217","Öztürk Yildirim, Sema; Butcher, Ray J.; Ünlüer, Dilek; Köysal, Yavuz","4-[2-(4-Hydroxyphenyl)ethyl]-3-propyl-1H-1,2,4-triazol-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1651","o1652","10.1107/S1600536812019447","","","1.54184","CuKα","","0.0435","0.0397","","","0.1045","0.1084","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235066","15.6869","0.0004","11.0215","0.0002","23.0217","0.0016","90","","90","","90","","3980.3","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl- 2,3,4,9-tetrahydro-1H-xanthen-1-one","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C184 H200 Br8 O32 -","8","1","HG5218","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Fanwick, Phillip E.; Potgeiter, Herman","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1710","","10.1107/S1600536812021034","","","1.54178","CuKα","","0.0551","0.0415","","","0.0984","0.1073","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235067","24.0691","0.0006","12.5847","0.0002","12.4179","0.0003","90","","101.857","0.002","90","","3681.16","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-\ κ^2^N^2^,S}nickel(II)","","- C38 H42 N4 Ni O2 S4 -","- C38 H42 N4 Ni O2 S4 -","- C152 H168 N16 Ni4 O8 S16 -","4","0.5","HG5219","Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ^2^N^2^,S}nickel(II)","Acta Crystallographica Section E","2012","68","6","m725","m726","10.1107/S1600536812019289","","","0.71073","MoKα","","0.0358","0.0296","","","0.075","0.079","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235068","8.2103","0.0001","9.8329","0.0001","20.3686","0.0002","90","","90","","90","","1644.38","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","HG5220","Caracelli, Ignez; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","6","o1793","o1794","10.1107/S1600536812021277","","","1.54184","CuKα","","0.0255","0.0251","","","0.0664","0.0666","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235069","6.78","0.0005","18.741","0.002","6.6106","0.0005","90","","93.782","0.008","90","","838.14","0.13","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquadichloridobis[quinazolin-4(1H)-one-κN^3^]nickel(II)","","- C16 H16 Cl2 N4 Ni O4 -","- C16 H16 Cl2 N4 Ni O4 -","- C32 H32 Cl4 N8 Ni2 O8 -","2","0.5","HG5221","Shomurotova, Shirin; Turgunov, Kambarali K.; Mukhamedov, Nasir; Tashkhodjaev, Bakhodir","Diaquadichloridobis[quinazolin-4(1H)-one-κN^3^]nickel(II)","Acta Crystallographica Section E","2012","68","6","m724","","10.1107/S1600536812019381","","","1.54184","CuKα","","0.0936","0.0522","","","0.1218","0.1387","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235070","31.5065","0.0011","8.0802","0.0002","20.0948","0.0009","90","","115.722","0.005","90","","4608.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","10-Hydroxybenzo[h]quinolin-1-ium tetrachlorido(pyridine-2-carboxylato-κ^2^N,O)stannate(IV) methanol monosolvate","","- C20 H18 Cl4 N2 O4 Sn -","- C20 H18 Cl4 N2 O4 Sn -","- C160 H144 Cl32 N16 O32 Sn8 -","8","1","HG5222","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","10-Hydroxybenzo[h]quinolin-1-ium tetrachlorido(pyridine-2-carboxylato-κ^2^N,O)stannate(IV) methanol monosolvate","Acta Crystallographica Section E","2012","68","6","m743","","10.1107/S1600536812019605","","","0.71073","MoKα","","0.0391","0.0281","","","0.0591","0.0651","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235071","16.2352","0.0008","13.6934","0.0006","7.89","0.0004","90","","102.606","0.005","90","","1711.78","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","HG5224","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2012","68","6","o1768","o1769","10.1107/S1600536812020429","","","0.71073","MoKα","","0.0644","0.0463","","","0.1149","0.1286","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235072","7.6179","0.0003","9.8168","0.0004","11.7009","0.0006","73.937","0.004","83.651","0.003","80.942","0.003","828.31","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C38 H34 Cl2 N4 O6 -","2","1","HG5225","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","6-Chloro-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2012","68","6","o1770","o1771","10.1107/S1600536812020405","","","0.71073","MoKα","","0.0545","0.0409","","","0.1028","0.1139","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235073","66.849","0.0016","22.1076","0.0004","6.5109","0.0001","90","","90","","90","","9622.3","0.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H- 1,2,4-triazole-5(4H)-thione dichloromethane hemisolvate","","- C49 H68 Cl2 N10 S2 -","- C49 H68 Cl2 N10 S2 -","- C392 H544 Cl16 N80 S16 -","8","0.5","HG5226","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-methyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","6","o1772","o1773","10.1107/S1600536812021393","","","1.54184","CuKα","","0.045","0.0445","","","0.1256","0.1262","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235074","9.8809","0.0004","10.0167","0.0003","15.528","0.0005","83.687","0.003","77.864","0.003","88.769","0.003","1493.41","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-Ethenyl-1-(4-methylphenylsulfonyl)-1H-indole","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","2","HG5227","Zukerman-Schpector, Julio; Wulf, Glaudeston D.; Stefani, Hélio A.; Vasconcelos, Stanley N. S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Ethenyl-1-(4-methylphenylsulfonyl)-1H-indole","Acta Crystallographica Section E","2012","68","6","o1829","o1830","10.1107/S1600536812021526","","","1.54184","CuKα","","0.0745","0.0688","","","0.1788","0.1845","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235075","8.923","0.0004","9.8752","0.0004","12.9613","0.0005","98.037","0.003","105.866","0.004","104.533","0.004","1036.46","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","O-Propyl N-phenylthiocarbamate","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","HG5228","Sudkaow, Panyapon; Yeo, Chien Ing; Ng, Seik Weng; Tiekink, Edward R. T.","O-Propyl N-phenylthiocarbamate","Acta Crystallographica Section E","2012","68","6","o1774","","10.1107/S160053681202140X","","","1.54184","CuKα","","0.0309","0.0297","","","0.0804","0.0814","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235076","11.2716","0.0004","12.1741","0.0004","13.897","0.0005","115.449","0.003","100.734","0.003","97.258","0.003","1645.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,S-dimethyldithiocarbazate- κ^2^N^3^,S)(nitrato-κO)copper(II) nitrate","","- C6 H16 Cu N6 O6 S4 -","- C6 H16 Cu N6 O6 S4 -","- C24 H64 Cu4 N24 O24 S16 -","4","2","HG5229","Hazari, Saroj K. S.; Dey, B. K.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.","Bis(2,S-dimethyldithiocarbazate-κ^2^N^3^,S)(nitrato-κO)copper(II) nitrate","Acta Crystallographica Section E","2012","68","6","m779","m780","10.1107/S1600536812021423","","","0.71073","MoKα","","0.0803","0.0587","","","0.1538","0.1647","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235077","13.373","0.003","13.383","0.003","18.303","0.004","89.31","0.03","88.73","0.03","73.67","0.03","3142.7","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","N-(2,6-Diisopropylphenyl)-N-{3-[(2,6-diisopropylphenyl)imino] butan-2-yl}azanide trichloridostannate(II)","","- C28 H43 Cl3 N2 Sn -","- C28 H43 Cl3 N2 Sn -","- C112 H172 Cl12 N8 Sn4 -","4","2","HP2032","Ma, Xiaoli; Sun, Shuai; Hao, Pengfei; Yang, Ying; Yang, Zhi","N-(2,6-Diisopropylphenyl)-N-{3-[(2,6-diisopropylphenyl)imino]butan-2-yl}azanide trichloridostannate(II)","Acta Crystallographica Section E","2012","68","6","m719","m720","10.1107/S1600536812014729","","","0.71073","MoKα","","0.0538","0.0387","","","0.077","0.0854","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235078","8.8301","0.0003","14.8153","0.0005","14.1688","0.0005","90","","90.097","0.002","90","","1853.57","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(μ-diisopropylphosphanido- κ^2^P:P)bis[hydrido(triisopropylphosphane- κP)platinum(II)]","","- C30 H72 P4 Pt2 -","- C30 H72 P4 Pt2 -","- C60 H144 P8 Pt4 -","2","0.5","HP2036","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander","Bis(μ-diisopropylphosphanido-κ^2^P:P)bis[hydrido(triisopropylphosphane-κP)platinum(II)]","Acta Crystallographica Section E","2012","68","6","m808","","10.1107/S1600536812022829","","","0.71073","MoKα","","0.023","0.0178","","","0.0369","0.0382","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235079","16.3315","0.0005","11.1597","0.0003","7.6876","0.0003","90","","100.661","0.001","90","","1376.92","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Uyi C16","4-[(4-Methoxybenzylidene)amino]benzenesulfonamide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","HY2541","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Afolayan, Anthony J.; Hosten, Eric C.","4-[(4-Methoxybenzylidene)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","6","o1599","","10.1107/S1600536812018818","","","0.71073","MoKα","","0.0443","0.0353","","","0.0874","0.0949","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235080","7.408","0.002","9.808","0.003","17.28","0.006","76.238","0.007","89.203","0.007","67.867","0.005","1125.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[2-(2-aminoethyl)-1H-benzimidazole- κ^2^N^2^,N^3^](nitrato-κ^2^O,O')cobalt(II) chloride trihydrate","","- C18 H28 Cl Co N7 O6 -","- C18 H28 Cl Co N7 O6 -","- C36 H56 Cl2 Co2 N14 O12 -","2","1","HY2542","Zhao, Jing; Zhang, Heng; Zhu, Guoyi","Bis[2-(2-aminoethyl)-1H-benzimidazole-κ^2^N^2^,N^3^](nitrato-κ^2^O,O')cobalt(II) chloride trihydrate","Acta Crystallographica Section E","2012","68","6","m711","m712","10.1107/S1600536812018612","","","0.71073","MoKα","","0.0764","0.0495","","","0.1199","0.1313","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235081","30.0648","0.0007","8.2468","0.0002","27.3311","0.0006","90","","90","","90","","6776.4","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aqua(2,6-dihydroxybenzoato-κO^1^)bis(1,10-phenanthroline- κ^2^N,N')manganese(II) 2,6-dihydroxybenzoate hemihydrate","","- C38 H29 Mn N4 O9.5 -","- C38 H29 Mn N4 O9.5 -","- C304 H232 Mn8 N32 O76 -","8","1","HY2545","Li, Quanwei; He, Li; Jin, Hongxiao","Aqua(2,6-dihydroxybenzoato-κO^1^)bis(1,10-phenanthroline-κ^2^N,N')manganese(II) 2,6-dihydroxybenzoate hemihydrate","Acta Crystallographica Section E","2012","68","6","m798","","10.1107/S1600536812022155","","","1.54184","CuKα","","0.0554","0.0385","","","0.092","0.1066","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235082","24.6913","0.0008","24.6913","0.0008","7.962","0.0005","90","","90","","120","","4203.8","0.3","184","2","184","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis(2-aminomethyl-1H-benzimidazole- κ^2^N^2^,N^3^)bis(nitrato-κO)copper(II)","","- C16 H18 Cu N8 O6 -","- C16 H18 Cu N8 O6 -","- C144 H162 Cu9 N72 O54 -","9","0.5","HY2548","Zhao, Jing; Zhang, Heng; Zhai, Xueliang; Zhu, Guoyi","Bis(2-aminomethyl-1H-benzimidazole-κ^2^N^2^,N^3^)bis(nitrato-κO)copper(II)","Acta Crystallographica Section E","2012","68","6","m767","","10.1107/S1600536812020910","","","0.71073","MoKα","","0.0239","0.0233","","","0.063","0.0634","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235083","20.73","0.03","12.004","0.018","19.83","0.03","90","","90","","90","","4935","13","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^P,S]copper(I) hexafluoridophosphate","","- C50 H44 Cu F6 P5 S2 -","- C50 H44 Cu F6 P5 S2 -","- C200 H176 Cu4 F24 P20 S8 -","4","0.5","HY2551","Zhang, Jing-Jing; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^P,S]copper(I) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","6","m841","","10.1107/S160053681202346X","","","0.71073","MoKα","","0.0942","0.0531","","","0.1294","0.1524","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235084","25.173","0.007","9.28","0.002","12.531","0.003","90","","91.741","0.003","90","","2926","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-butyl-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate","","- C14 H17 N O5 S -","- C14 H17 N O5 S -","- C112 H136 N8 O40 S8 -","8","1","IM2370","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Ahmed, Waseem; Asiri, Abdullah M.","Methyl 2-butyl-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1663","","10.1107/S1600536812019733","","","0.71073","MoKα","","0.0741","0.0695","","","0.2068","0.2097","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235085","7.5884","0.0007","9.4499","0.0009","23.839","0.002","89.004","0.0009","81.484","0.001","74.078","0.001","1625.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(5,6-dimethyl-1H-benzimidazole-κN^3^)(pyridine-2,6- dicarboxylato-κ^3^O^2^,N,O^6^)nickel(II)","","- C34 H33 N7 Ni O4 -","- C34 H33 N7 Ni O4 -","- C68 H66 N14 Ni2 O8 -","2","1","IM2371","Li, Yue-Hua; Li, Feng-Feng; Liu, Xin-Hua; Zhao, Ling-Yan","Tris(5,6-dimethyl-1H-benzimidazole-κN^3^)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)nickel(II)","Acta Crystallographica Section E","2012","68","6","m739","","10.1107/S1600536812019502","","","0.71073","MoKα","","0.0369","0.0318","","","0.0828","0.0868","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235086","5.6682","0.0011","7.3927","0.0015","13.817","0.003","93.81","0.03","94.22","0.03","91.27","0.03","575.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Propanaminium p-toluenesulfonate","","- C10 H17 N O3 S -","- C10 H17 N O3 S -","- C20 H34 N2 O6 S2 -","2","1","IM2372","Jin, Yu","Propanaminium p-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1648","","10.1107/S1600536812019435","","","0.71073","MoKα","","0.0957","0.0687","","","0.172","0.1893","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235087","9.281","0.0019","9.994","0.002","11.885","0.002","100.35","0.03","96.73","0.03","117.42","0.03","937","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2-cyano-9,9-dibutyfluorene","9,9-Dibutyl-9H-fluorene-2-carbonitrile","","- C22 H25 N -","- C22 H25 N -","- C44 H50 N2 -","2","1","IM2373","Zhao, Dong-dong; Jiang, Peng; Zhu, Hong-Jun","9,9-Dibutyl-9H-fluorene-2-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1903","","10.1107/S1600536812022672","","","0.71073","MoKα","","0.12","0.0676","","","0.1632","0.1859","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235088","12.879","0.0003","9.9086","0.0002","15.5311","0.0004","90","","106.368","0.002","90","","1901.64","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(3-chloro-acetilacetonato)aluminium(III)","Tris(3-chloropentane-2,4-dionato-κ^2^O,O')aluminium","","- C15 H18 Al Cl3 O6 -","- C15 H18 Al Cl3 O6 -","- C60 H72 Al4 Cl12 O24 -","4","0.5","IM2374","Perdih, Franc","Tris(3-chloropentane-2,4-dionato-κ^2^O,O')aluminium","Acta Crystallographica Section E","2012","68","6","m806","","10.1107/S1600536812023203","","","0.71073","MoKα","","0.053","0.0419","","","","0.1251","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235089","15.7745","0.0004","9.5424","0.0002","12.9833","0.0003","90","","100.61","0.001","90","","1920.92","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(3-chloro-acetilacetonato)iron(III)","Tris(3-chloropentane-2,4-dionato-κ^2^O,O')iron(III)","","- C15 H18 Cl3 Fe O6 -","- C15 H18 Cl3 Fe O6 -","- C60 H72 Cl12 Fe4 O24 -","4","0.5","IM2375","Perdih, Franc","Tris(3-chloropentane-2,4-dionato-κ^2^O,O')iron(III)","Acta Crystallographica Section E","2012","68","6","m807","","10.1107/S1600536812023215","","","0.71073","MoKα","","0.0486","0.044","","","","0.1267","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235090","10.4702","0.0009","10.4851","0.0009","10.5169","0.0009","117.567","0.001","100.398","0.001","95.257","0.001","986.15","0.15","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","3-{2-[(1,3-Benzothiazol-2-yl)sulfanylmethyl]phenyl}-4-methoxy- 5,5-dimethylfuran-2(5H)-one","","- C21 H19 N O3 S2 -","- C21 H19 N O3 S2 -","- C42 H38 N2 O6 S4 -","2","1","IM2376","Duan, Anna; Yang, Haikui; Zhao, Peiliang; You, Wenwei","3-{2-[(1,3-Benzothiazol-2-yl)sulfanylmethyl]phenyl}-4-methoxy-5,5-dimethylfuran-2(5H)-one","Acta Crystallographica Section E","2012","68","6","o1854","","10.1107/S1600536812022404","","","0.71073","MoKα","","0.065","0.0447","","","0.1005","0.1092","","","","","","0.897","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235091","8.9493","0.0003","16.8206","0.0007","23.7697","0.0009","90","","90","","90","","3578.1","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(R)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monosolvate","","- C38 H37 Cl2 Fe N P2 S2 -","- C37 H35 Fe N P2 S2 -","- C148 H140 Fe4 N4 P8 S8 -","4","1","IM2377","Philippe, Elisabeth; Manoury, Eric; Daran, Jean-Claude","(R)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate","Acta Crystallographica Section E","2012","68","6","m799","m800","10.1107/S1600536812022301","","","0.71073","MoKα","","0.0477","0.0419","","","0.1","0.1021","","","","","","1.093","","","","has coordinates,has Fobs","192351","2020-10-21","18:00:00",""
"2235092","26.7189","0.0018","10.1226","0.0007","24.7622","0.0017","90","","96.421","0.001","90","","6655.3","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-benzene-1,3-dicarboxylato- κ^4^O^1^:O^1'^:O^3^,O^3'^)bis(pyridine- κN)cobalt(II)]","","- C18 H14 Co N2 O4 -","- C18 H14 Co N2 O4 -","- C288 H224 Co16 N32 O64 -","16","2","IS5111","Xie, Fengxia; Zhang, Dan; Zhang, Xinxin","Poly[(μ~3~-benzene-1,3-dicarboxylato-κ^4^O^1^:O^1'^:O^3^,O^3'^)bis(pyridine-κN)cobalt(II)]","Acta Crystallographica Section E","2012","68","6","m755","","10.1107/S1600536812020028","","","0.71073","MoKα","","0.0766","0.0592","","","0.1324","0.1423","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235093","7.0165","0.0006","13.3336","0.0011","14.4498","0.0012","90","","94.791","0.002","90","","1347.1","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-1-(2,4-dinitrophenyl)-2-(1-(3-fluorophenyl)ethylidene)hydrazine","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-fluorophenyl)ethylidene]hydrazine","","- C14 H11 F N4 O4 -","- C14 H11 F N4 O4 -","- C56 H44 F4 N16 O16 -","4","1","IS5116","Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Jansrisewangwong, Patcharaporn; Fun, Hoong-Kun","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-fluorophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","6","o1644","o1645","10.1107/S160053681201937X","","","0.71073","MoKα","","0.0635","0.0522","","","0.1461","0.1545","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235094","16.8289","0.0007","10.5919","0.0005","11.4752","0.0005","90","","99.967","0.001","90","","2014.58","0.15","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,8-Dispirocyclohexyl-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5, 10-dione","1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","0.5","IS5122","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong; Zhang, Yan","1,1'-Bicyclohexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1627","","10.1107/S1600536812018478","","","0.71073","MoKα","","0.0381","0.035","","","0.1046","0.1073","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235095","14.0049","0.0005","10.8637","0.0004","12.719","0.0005","90","","110.15","0.001","90","","1816.69","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-(4-Methoxyphenyl)-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1-(4-Methoxyphenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","IS5123","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-(4-Methoxyphenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1628","","10.1107/S160053681201848X","","","0.71073","MoKα","","0.0479","0.0406","","","0.1159","0.122","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235096","16.7647","0.0003","10.2618","0.0002","11.5755","0.0002","90","","99.81","0.001","90","","1962.28","0.06","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7,8-Dispirohexyl-7,8-dihydro-[1,4]dioxecino[7,6-b:8,9-b']dipyridine-5,10-dione","1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","0.5","IS5124","Fun, Hoong-Kun; Lim, Ming Yeng; Quah, Ching Kheng; Wu, Dongdong","1,1'-Bicyclohexyl-1,1'-diyl 2,2'-bipyridine-3,3'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1629","","10.1107/S1600536812018508","","","0.71073","MoKα","","0.0535","0.0434","","","0.1115","0.1194","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235097","26.3197","0.0014","9.4184","0.0005","13.3606","0.0007","90","","100.092","0.001","90","","3260.7","0.3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","7,8-Dispirocyclopropyl-7,8-dihydrodibenzo[f,h][1,4]dioxecine-5,10-dione","1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C20 H16 O4 -","- C20 H16 O4 -","- C160 H128 O32 -","8","1","IS5125","Fun, Hoong-Kun; Quah, Ching Kheng; Xu, Kai","1,1'-Bicyclopropyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1630","","10.1107/S160053681201851X","","","0.71073","MoKα","","0.0658","0.0431","","","0.1112","0.1244","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235098","4.4961","0.0001","13.4412","0.0005","14.4588","0.0005","70.62","0.002","85.956","0.002","83.063","0.002","817.81","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4- thiadiazolo[2,3-c][1,2,4]triazin-4-one","","- C17 H10 Cl2 N4 O S -","- C17 H10 Cl2 N4 O S -","- C34 H20 Cl4 N8 O2 S2 -","2","1","IS5127","Fun, Hoong-Kun; Arshad, Suhana; Sarojini, B. K.; Imran, U. A.; Krishna, B.G.","3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one","Acta Crystallographica Section E","2012","68","6","o1736","o1737","10.1107/S1600536812021253","","","0.71073","MoKα","","0.1144","0.06","","","0.1066","0.1286","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235099","10.6464","0.0002","9.9178","0.0002","14.7885","0.0002","90","","120.244","0.001","90","","1348.96","0.04","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-anilino-3-nitrobenzoate","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","IS5128","Yoon, Yeong Keng; Manogaran, Elumalai; Ali, Mohamed Ashraf; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 4-anilino-3-nitrobenzoate","Acta Crystallographica Section E","2012","68","6","o1684","","10.1107/S1600536812019903","","","0.71073","MoKα","","0.0752","0.0467","","","0.1105","0.1244","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235100","7.1655","0.0001","17.3895","0.0003","13.6202","0.0002","90","","110.875","0.001","90","","1585.74","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","IS5130","Fun, Hoong-Kun; Horkaew, Jirapa; Chantrapromma, Suchada; Karalai, Chatchanok","(E)-N'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate","Acta Crystallographica Section E","2012","68","6","o1655","o1656","10.1107/S1600536812019356","","","0.71073","MoKα","","0.0781","0.0548","","","0.1363","0.1554","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235101","7.5243","0.0003","14.1861","0.0006","12.4488","0.0006","90","","107.508","0.001","90","","1267.23","0.1","100","1","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","","- C13 H11 Br N2 O S -","- C13 H11 Br N2 O S -","- C52 H44 Br4 N8 O4 S4 -","4","2","IS5131","Ghabbour, Hazem A.; Kadi, Adnan A.; El-Subbagh, Hussein I.; Chia, Tze Shyang; Fun, Hoong-Kun","1-(5-Bromo-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1738","o1739","10.1107/S160053681201954X","","","0.71073","MoKα","","0.0305","0.0265","","","0.0498","0.0508","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235102","7.4873","0.0002","8.0359","0.0002","10.6428","0.0003","86.571","0.002","77.633","0.002","85.33","0.002","622.82","0.03","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine","","- C11 H11 Br N2 O2 S -","- C11 H11 Br N2 O2 S -","- C22 H22 Br2 N4 O4 S2 -","2","1","IS5132","Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","5-Bromo-4-(3,4-dimethoxyphenyl)thiazol-2-amine","Acta Crystallographica Section E","2012","68","6","o1631","o1632","10.1107/S1600536812019320","","","0.71073","MoKα","","0.0397","0.0242","","","0.0638","0.0714","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235103","13.7046","0.0003","5.3216","0.0001","20.4401","0.0005","90","","119.612","0.002","90","","1296.01","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone","","- C14 H11 F O3 S -","- C14 H11 F O3 S -","- C56 H44 F4 O12 S4 -","4","1","IS5133","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1659","","10.1107/S1600536812019666","","","1.54178","CuKα","","0.0414","0.0367","","","0.1013","0.1053","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235104","8.3834","0.0003","7.1852","0.0002","23.5264","0.0008","90","","93.203","0.003","90","","1414.93","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","IS5134","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Arshad, Suhana; Fun, Hoong-Kun","1-(3-Ethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1679","","10.1107/S1600536812019927","","","1.54178","CuKα","","0.0594","0.0474","","","0.1515","0.1614","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235105","5.9114","0.0002","7.5424","0.0002","13.994","0.0004","81.274","0.002","88.828","0.003","69.119","0.003","575.83","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-Dimethylamino-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one","","- C11 H15 N O S -","- C11 H15 N O S -","- C22 H30 N2 O2 S2 -","2","1","IS5136","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","(E)-3-Dimethylamino-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1712","o1713","10.1107/S1600536812021022","","","1.54178","CuKα","","0.045","0.0393","","","0.1074","0.1137","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235106","9.3357","0.0002","9.7982","0.0002","11.7718","0.0004","107.502","0.002","102.106","0.002","109.539","0.001","908.31","0.05","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-chlorophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C44 H34 Cl2 N4 O4 -","2","1","IS5137","Yoon, Yeong Keng; Manogaran, Elumalai; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-(4-chlorophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1863","","10.1107/S1600536812022192","","","0.71073","MoKα","","0.0643","0.048","","","0.1168","0.1267","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235107","27.9097","0.0004","5.7319","0.0001","7.1437","0.0001","90","","102.473","0.001","90","","1115.84","0.03","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-Bis(4-fluorophenyl)isoxazole","","- C15 H9 F2 N O -","- C15 H9 F2 N O -","- C60 H36 F8 N4 O4 -","4","0.5","IS5139","Fun, Hoong-Kun; Arshad, Suhana; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","3,5-Bis(4-fluorophenyl)isoxazole","Acta Crystallographica Section E","2012","68","6","o1783","","10.1107/S160053681202171X","","","0.71073","MoKα","","0.0512","0.0451","","","0.1266","0.1312","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235108","6.1851","0.0012","12.759","0.003","22.698","0.005","90","","90","","90","","1791.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","","- C19 H22 Br N O -","- C19 H22 Br N O -","- C76 H88 Br4 N4 O4 -","4","1","IS5140","Balamurugan, P.; Raja, K. Kanmani; Rani, S. Kutti; Chakkaravarthi, G.; Rajagopal, G.","(E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1782","","10.1107/S1600536812021605","","","0.71073","MoKα","","0.082","0.0402","","","0.0865","0.1004","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235109","12.6844","0.0003","16.1933","0.0004","9.4579","0.0002","90","","94.288","0.002","90","","1937.24","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4H- benzo[h]chromene-3-carboxylate","","- C23 H20 F N O4 -","- C23 H20 F N O4 -","- C92 H80 F4 N4 O16 -","4","1","IS5141","El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Chia, Tze Shyang; Fun, Hoong-Kun","Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","6","o1803","o1804","10.1107/S1600536812021939","","","1.54178","CuKα","","0.0464","0.0392","","","0.1114","0.1167","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235110","8.4768","0.0001","11.4765","0.0002","11.9091","0.0002","75.206","0.001","72.553","0.001","69.416","0.001","1020.02","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis(2-oxoindolin-3-ylidene)thiocarbonohydrazide tetrahydrofuran monosolvate","","- C21 H20 N6 O3 S -","- C21 H20 N6 O3 S -","- C42 H40 N12 O6 S2 -","2","1","IS5142","Pezeshkpour, Shaghayegh; Khaledi, Hamid; Mohd Ali, Hapipah","1,5-Bis(2-oxoindolin-3-ylidene)thiocarbonohydrazide tetrahydrofuran monosolvate","Acta Crystallographica Section E","2012","68","6","o1870","","10.1107/S1600536812022714","","","0.71073","MoKα","","0.0501","0.0398","","","0.113","0.1209","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235111","8.042","0.005","13.187","0.008","13.408","0.008","97.406","0.009","92.956","0.01","95.916","0.009","1399.5","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole- 5(4H)-thione","","- C12 H13 Br N4 O S -","- C12 H13 Br N4 O S -","- C48 H52 Br4 N16 O4 S4 -","4","2","JJ2128","Wu, Xin; Yuan, Cai-Xia; Ma, Ling; Zhai, Kai-Lu; Zhu, Miao-Li","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","6","o1674","","10.1107/S1600536812019745","","","0.71073","MoKα","","0.09","0.0433","","","0.0908","0.1017","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235112","19.657","0.004","7.586","0.0015","22.436","0.005","90","","90","","90","","3345.6","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C144 H136 Cl8 O32 -","8","1","JJ2129","Zou, Baohua; Fang, Zheng; Zhong, Hui; Guo, Kai; Wei, Ping","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1676","","10.1107/S1600536812019812","","","0.71073","MoKα","","0.1794","0.0672","","","0.1407","0.1942","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235113","22.0667","0.0008","9.0192","0.0003","17.4088","0.0006","90","","90","","90","","3464.8","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(acetato-κ^2^O,O')(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')copper(II) monohydrate","","- C16 H20 Cu N2 O5 -","- C16 H20 Cu N2 O5 -","- C128 H160 Cu8 N16 O40 -","8","1","JJ2130","Kaewthong, Aphiwat; Sukwattanasinitt, Mongkol; Muangsin, Nongnuj","Bis(acetato-κ^2^O,O')(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')copper(II) monohydrate","Acta Crystallographica Section E","2012","68","6","m775","","10.1107/S1600536812020193","","","0.71073","MoKα","","0.0931","0.0578","","","","0.1719","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235114","8.349","0.007","17.406","0.014","12.639","0.01","90","","107.863","0.009","90","","1748","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol","","- C20 H19 O4 P -","- C20 H19 O4 P -","- C80 H76 O16 P4 -","4","1","JJ2135","Shao, Yutian; Yang, Chao; Xia, Wujiong","2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol","Acta Crystallographica Section E","2012","68","6","o1708","","10.1107/S1600536812020685","","","0.71073","MoKα","","0.0713","0.0444","","","0.1011","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235115","8.104","0.0005","8.8872","0.0009","12.1606","0.0008","81.491","0.001","82.009","0.001","79.133","0.001","845.07","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-Cyanopyridinium dihydrogen phosphate‒isonicotinonitrile‒phosphoric acid (1/1/1)","","- C12 H14 N4 O8 P2 -","- C12 H14 N4 O8 P2 -","- C24 H28 N8 O16 P4 -","2","1","JJ2136","Wang, Ying-Chun","4-Cyanopyridinium dihydrogen phosphate‒isonicotinonitrile‒phosphoric acid (1/1/1)","Acta Crystallographica Section E","2012","68","6","o1693","o1694","10.1107/S1600536812020430","","","0.71073","MoKα","","0.0343","0.0298","","","0.0867","0.0961","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235116","13.677","0.003","16.42","0.003","7.949","0.0016","90","","90","","90","","1785.2","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C76 H76 Cl4 O16 -","4","1","JJ2137","Yang, Zhao; Wang, Zhi-Xiang","Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1750","","10.1107/S1600536812021149","","","0.71073","MoKα","","0.1338","0.0683","","","0.1488","0.1796","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235117","10.9719","0.0004","11.6186","0.0003","14.0431","0.0005","71.009","0.002","85.291","0.002","68.798","0.002","1576.88","0.09","90","0.5","90","0.5","101.3","","","","","","","4","P -1","-P 1","2","","syn-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy- 5H-diindeno[1,2-a:1',2'-c]fluorene dichloromethane 0.82-solvate","","- C30.82 H19.64 Cl7.64 O3 -","- C30 H18 Cl6 O3 -","- C60 H36 Cl12 O6 -","2","1","KJ2201","Morrison, Gregory W.; Fronczek, Frank R.; Watkins, Steven F.","syn-5,10,15-Tris(dichloromethyl)-5,10,15-trihydroxy-5H-diindeno[1,2-a:1',2'-c]fluorene dichloromethane 0.82-solvate","Acta Crystallographica Section E","2012","68","6","o1755","o1756","10.1107/S1600536812020703","","","0.71073","MoKα","","","0.0525","","","","0.1555","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235118","4.5946","0.0003","20.155","0.0019","18.2192","0.0017","90","","96.66","0.005","90","","1675.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(E)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate","","- C16 H17 Cl2 N3 O2 -","- C16 H17 Cl2 N3 O2 -","- C64 H68 Cl8 N12 O8 -","4","1","KJ2202","Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.; de Ferreira, Marcelle; de Souza, Marcus V. N.; Kaiser, Carlos R.","4-[(E)-2-(2-Chlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate","Acta Crystallographica Section E","2012","68","6","o1850","o1851","10.1107/S1600536812022660","","","0.71073","MoKα","","0.2001","0.0955","","","0.1682","0.2234","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235119","9.8575","0.0002","16.8894","0.0003","18.9812","0.0004","110.444","0.001","96.082","0.001","93.384","0.001","2928.74","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","Dibenzylazanium (oxalato-κ^2^O,O')triphenylstannate(IV)","","- C34 H31 N O4 Sn -","- C34 H31 N O4 Sn -","- C136 H124 N4 O16 Sn4 -","4","4","KP2394","Gueye, Ndongo; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabrielle","Dibenzylazanium (oxalato-κ^2^O,O')triphenylstannate(IV)","Acta Crystallographica Section E","2012","68","6","m854","m855","10.1107/S1600536812021125","","","0.71073","MoKα","","0.0406","0.0311","","","0.0662","0.0702","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235120","12.4457","0.0003","15.5804","0.0004","27.171","0.0008","90","","90","","90","","5268.7","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","","- C30 H44 O5 -","- C30 H44 O5 -","- C240 H352 O40 -","8","2","KP2404","Hu, Jun-yi; Wu, Gang-gang; Xu, Ying-qian; Xiao, Guo-yong; Lei, Peng","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","Acta Crystallographica Section E","2012","68","6","o1586","","10.1107/S1600536812017783","","","0.71073","MoKα","","0.0444","0.0413","","","0.0937","0.0952","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235121","8.792","0.003","9.157","0.003","12.865","0.004","96.59","0.03","102.49","0.03","103.51","0.03","968.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate- κ^2^N,N')copper(I)]","","- C44 H32 Cu2 I2 N4 O8 -","- C44 H32 Cu2 I2 N4 O8 -","- C44 H32 Cu2 I2 N4 O8 -","1","0.5","KP2406","Starosta, Radosław; Komarnicka, Urszula K.; Nagaj, Justyna; Stokowa-Sołtys, Kamila; Bykowska, Aleksandra","Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^N,N')copper(I)]","Acta Crystallographica Section E","2012","68","6","m756","m757","10.1107/S1600536812020843","","","0.71073","MoKα","","0.0364","0.0268","","","0.0627","0.0647","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235122","15.2994","0.0009","7.5421","0.0005","18.7248","0.0012","90","","107.596","0.004","90","","2059.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1H- chromeno[4,3-c]isoxazole-3a-carbonitrile","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","KP2408","Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","rac-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1660","","10.1107/S160053681201906X","","","0.71073","MoKα","","0.1032","0.051","","","0.1368","0.1639","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235123","27.855","0.006","7.2061","0.0014","21.895","0.004","90","","125.03","0.03","90","","3598.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(4-chloroanilinium) hexachloridostannate(IV) dichloride","","- C24 H28 Cl12 N4 Sn -","- C24 H28 Cl12 N4 Sn -","- C96 H112 Cl48 N16 Sn4 -","4","0.5","KP2409","Zhou, Benhua; Liu, Hongxia","Tetrakis(4-chloroanilinium) hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2012","68","6","m782","","10.1107/S1600536812021666","","","0.71073","MoKα","","0.0367","0.0297","","","0.0646","0.0671","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235124","9.586","0.0019","26.01","0.005","7.139","0.0014","90","","112.04","0.03","90","","1649.9","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","KP2410","Gu, Wen; Qiao, Chao","N-(4-Bromophenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2012","68","6","o1658","","10.1107/S1600536812018946","","","0.71073","MoKα","","0.0683","0.0447","","","0.0862","0.0944","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235125","9.524","0.0014","9.6423","0.0014","14.024","0.002","97.897","0.002","109.415","0.003","107.453","0.002","1117.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","[2-Formyl-4-methyl-6-({2-[2-(4- nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate","","- C20 H23 Cl N4 Ni O8 -","- C20 H23 Cl N4 Ni O8 -","- C40 H46 Cl2 N8 Ni2 O16 -","2","1","KP2412","Wang, Yang; Mao, Jia-Wei; Song, Hui-Ting; Zhou, Hong","[2-Formyl-4-methyl-6-({2-[2-(4-nitrobenzylamino)ethylamino]ethylimino}methyl)phenolato]nickel(II) perchlorate","Acta Crystallographica Section E","2012","68","6","m766","","10.1107/S1600536812021058","","","0.71073","MoKα","","0.0847","0.06","","","0.1316","0.1375","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235126","11.6046","0.0008","13.1937","0.001","7.9114","0.0006","90","","90","","90","","1211.3","0.15","150","2","150","2","","","","","","","","4","P c c 2","P 2 -2c","27","","4-Phenethoxyaniline hemihydrate","","- C14 H16 N O1.5 -","- C14 H16 N O1.5 -","- C56 H64 N4 O6 -","4","1","KP2413","Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; McKee, Vickie","4-Phenethoxyaniline hemihydrate","Acta Crystallographica Section E","2012","68","6","o1912","","10.1107/S1600536812022994","","","0.71073","MoKα","","0.0487","0.0414","","","0.1087","0.1149","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","192352","2020-10-21","18:00:00",""
"2235127","13.1009","0.0008","10.6538","0.0006","9.6611","0.0006","90","","100.276","0.003","90","","1326.81","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenyl-N,N,N',N'-tetramethyl-1-ethyne- 1-carboximidamidium bromide","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C52 H68 Br4 N8 -","4","1","KP2415","Tiritiris, Ioannis; Kantlehner, Willi","3-Phenyl-N,N,N',N'-tetramethyl-1-ethyne-1-carboximidamidium bromide","Acta Crystallographica Section E","2012","68","6","o1812","","10.1107/S1600536812021873","","","0.71073","MoKα","","0.0305","0.021","","","0.0491","0.052","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235128","11.376","0.002","53.041","0.003","10.413","0.002","90","","90","","90","","6283.1","1.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate","","- C9 H13 Cl Cr N2 O11.5 -","- C9 H13 Cl Cr N2 O11.5 -","- C144 H208 Cl16 Cr16 N32 O184 -","16","1","KP2416","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate","Acta Crystallographica Section E","2012","68","6","m824","m825","10.1107/S1600536812023392","","","0.71073","MoKα","","0.0342","0.0286","","","0.0712","0.0736","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235129","8.5646","0.0003","24.6447","0.0009","9.5363","0.0004","90","","101.341","0.002","90","","1973.54","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-Tetramethyl- N'',N''-dipropylguanidinium chloride‒ (2Z)-2,3-diaminobut-2-enedinitrile (1/1)","","- C15 H30 Cl N7 -","- C15 H30 Cl N7 -","- C60 H120 Cl4 N28 -","4","1","KP2418","Tiritiris, Ioannis; Kantlehner, Willi","N,N,N',N'-Tetramethyl-N'',N''-dipropylguanidinium chloride‒(2Z)-2,3-diaminobut-2-enedinitrile (1/1)","Acta Crystallographica Section E","2012","68","6","o1944","","10.1107/S1600536812023264","","","0.71073","MoKα","","0.0981","0.0466","","","0.0893","0.1023","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235130","9.0826","0.0018","9.0606","0.0018","27.259","0.006","90","","99.46","0.03","90","","2212.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7- (trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C25 H13 Cl2 F4 N3 -","- C25 H13 Cl2 F4 N3 -","- C100 H52 Cl8 F16 N12 -","4","1","KP2419","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Sang, Yu-Li; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","Acta Crystallographica Section E","2012","68","6","o1923","","10.1107/S1600536812023641","","","0.71073","MoKα","","0.0643","0.0506","","","0.1311","0.143","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235131","7.2028","0.0003","9.4423","0.0005","26.05","0.002","90","","91.742","0.007","90","","1770.87","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Diethylamino-2-[(E)-(2,4-dimethoxyphenyl)iminomethyl]phenol","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","LD2055","Kantar, Esen Nur; Köysal, Yavuz; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","5-Diethylamino-2-[(E)-(2,4-dimethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1587","","10.1107/S160053681201882X","","","0.71073","MoKα","","0.1439","0.0644","","","0.1199","0.1642","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235132","17.3573","0.0012","5.08","0.0004","21.6293","0.0017","90","","107.239","0.002","90","","1821.5","0.2","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-Amino-3-carboxypyridinium perchlorate","","- C6 H7 Cl N2 O6 -","- C6 H7 Cl N2 O6 -","- C48 H56 Cl8 N16 O48 -","8","2","LD2056","Berrah, Fadila; Bouacida, Sofiane; Anana, Hayet; Roisnel, Thierry","2-Amino-3-carboxypyridinium perchlorate","Acta Crystallographica Section E","2012","68","6","o1601","o1602","10.1107/S1600536812018922","","","0.71073","MoKα","","0.0653","0.0485","","","0.1032","0.1099","","","","","","1.107","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235133","11.217","0.002","10.067","0.002","15.793","0.003","90","","94.47","0.03","90","","1777.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl- 2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","","- C21 H19 F N4 O -","- C21 H19 F N4 O -","- C84 H76 F4 N16 O4 -","4","1","LH5432","Wen, Qin-Mei; Yin, Ben-Tao; Yan, Cong-Yan; Zhou, Cheng-He","(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1642","","10.1107/S1600536812018454","","","0.71073","MoKα","","0.0779","0.0478","","","0.1046","0.1184","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235134","7.0146","0.0005","8.2862","0.0006","8.9686","0.0007","70.499","0.007","83.82","0.006","74.204","0.006","472.75","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dichloro-7-isopropyl-7H-purine","","- C8 H8 Cl2 N4 -","- C8 H8 Cl2 N4 -","- C16 H16 Cl4 N8 -","2","1","LH5458","Hloušková, Nikola; Rouchal, Michal; Nečas, Marek; Vícha, Robert","2,6-Dichloro-7-isopropyl-7H-purine","Acta Crystallographica Section E","2012","68","6","o1585","","10.1107/S160053681201879X","","","0.71073","MoKα","","0.0292","0.0233","","","0.0597","0.0608","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235135","15.681","0.005","9.54","0.003","22.104","0.007","90","","110.201","0.006","90","","3103.3","1.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-(6-Bromohexyloxy)-4-methyl-2H-chromen-2-one","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C128 H152 Br8 O24 -","8","1","LH5459","Zhang, Hui-Zhen; Li, Qing-Xia; Yin, Ben-Tao; Zhou, Cheng-He","7-(6-Bromohexyloxy)-4-methyl-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","6","o1709","","10.1107/S1600536812020442","","","0.71073","MoKα","","0.0775","0.0422","","","0.0993","0.1151","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235136","9.0599","0.0014","33.203","0.005","10.8082","0.0017","90","","112.013","0.002","90","","3014.3","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine- 1,4-dicarboxamide","","- C30 H42 N6 O2 -","- C30 H42 N6 O2 -","- C120 H168 N24 O8 -","4","1","LH5460","Sun, Na-Bo; Rao, Guo-Wu; Zhang, Li-Ling","N,N'-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","6","o1621","o1622","10.1107/S1600536812019186","","","0.71073","MoKα","","0.0777","0.0568","","","0.1405","0.1536","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235137","8.488","0.0017","10.502","0.002","33.45","0.007","90","","96.85","0.03","90","","2960.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Carbamoyl-2-methyl-1-(2-methylbenzyl)pyridinium bromide","","- C15 H17 Br N2 O -","- C15 H17 Br N2 O -","- C120 H136 Br8 N16 O8 -","8","1","LH5461","Kim, Kyung Beom; Yu, Seung Man; Kim, Cheal; Kim, Youngmee","5-Carbamoyl-2-methyl-1-(2-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1609","o1610","10.1107/S1600536812018958","","","0.71073","MoKα","","0.0792","0.0415","","","0.0839","0.0959","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235138","9.4546","0.0019","10.487","0.002","27.532","0.005","90","","98.94","0.03","90","","2696.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(1H-benzimidazole-κN^3^)(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)nickel(II)","","- C28 H21 N7 Ni O4 -","- C28 H21 N7 Ni O4 -","- C112 H84 N28 Ni4 O16 -","4","1","LH5462","Li, Yue-Hua; Li, Feng-Feng; Liu, Xin-Hua; Zhao, Ling-Yan","Tris(1H-benzimidazole-κN^3^)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)nickel(II)","Acta Crystallographica Section E","2012","68","6","m740","","10.1107/S1600536812019514","","","0.71073","MoKα","","0.1592","0.0858","","","0.1213","0.143","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235139","8.392","0.008","9.511","0.009","12.937","0.008","99.853","0.017","90.804","0.018","92.374","0.018","1016.2","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N'^2^,N'^5^-Bis[(E)-2-hydroxybenzylidene]- 3,4-dimethylthiophene-2,5-dicarbohydrazide","","- C22 H20 N4 O4 S -","- C22 H20 N4 O4 S -","- C44 H40 N8 O8 S2 -","2","1","LH5463","Zhang, Shao-Lin; Zhang, Ling; Wen, Qin-Mei; Geng, Rong-Xia; Zhou, Cheng-He","N'^2^,N'^5^-Bis[(E)-2-hydroxybenzylidene]-3,4-dimethylthiophene-2,5-dicarbohydrazide","Acta Crystallographica Section E","2012","68","6","o1752","","10.1107/S1600536812020260","","","0.71073","MoKα","","0.0773","0.0471","","","0.1115","0.1278","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235140","10.46","0.003","11.816","0.003","13.561","0.003","75.128","0.004","75.725","0.004","72.298","0.004","1517.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Bromo-2-(diprop-2-ynylamino)-1H-benzo[de]isoquinoline- 1,3(2H)-dione","","- C18 H11 Br N2 O2 -","- C18 H11 Br N2 O2 -","- C72 H44 Br4 N8 O8 -","4","2","LH5464","Lv, Jing-Song; Wang, Jun-Lei; Zhou, Cheng-He","6-Bromo-2-(diprop-2-ynylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione","Acta Crystallographica Section E","2012","68","6","o1852","","10.1107/S1600536812022507","","","0.71073","MoKα","","0.1137","0.0673","","","0.1633","0.1886","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235141","7.529","0.001","10.718","0.002","10.759","0.002","90","","101.4","0.02","90","","851.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-6-({2-[(3,5-dichloro-2- hydroxybenzylidene)amino]ethyl}iminomethyl)phenol","","- C16 H12 Cl4 N2 O2 -","- C16 H12 Cl4 N2 O2 -","- C32 H24 Cl8 N4 O4 -","2","0.5","LH5465","Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Gilles, Bouet; Magali, Allain","2,4-Dichloro-6-({2-[(3,5-dichloro-2-hydroxybenzylidene)amino]ethyl}iminomethyl)phenol","Acta Crystallographica Section E","2012","68","6","o1700","","10.1107/S1600536812020235","","","0.71073","MoKα","","0.0516","0.0311","","","0.0736","0.0806","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235142","9.3121","0.0002","9.8136","0.0002","11.8458","0.0002","108.217","0.001","101.135","0.001","109.361","0.001","915.39","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-bromophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate","","- C22 H17 Br N2 O2 -","- C22 H17 Br N2 O2 -","- C44 H34 Br2 N4 O4 -","2","1","LH5466","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-(4-bromophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","6","o1683","","10.1107/S1600536812019897","","","0.71073","MoKα","","0.0311","0.0272","","","0.0693","0.0712","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235143","7.0823","0.0006","25.555","0.002","7.5712","0.0005","90","","94.431","0.001","90","","1366.2","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Bromobenzylidene)naphthalen-1-amine","","- C17 H12 Br N -","- C17 H12 Br N -","- C68 H48 Br4 N4 -","4","1","LH5468","Zhu, Ruitao; Ren, Yuehong; Zhang, Yuewen","N-(4-Bromobenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2012","68","6","o1671","","10.1107/S1600536812019800","","","0.71073","MoKα","","0.0718","0.0425","","","0.0907","0.0996","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235144","17.5151","0.0006","10.8638","0.0004","9.8615","0.0003","90","","97.565","0.003","90","","1860.12","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(4-methylphenyl)-N''-(2,2,2- trichloroacetyl)phosphoric triamide","","- C16 H17 Cl3 N3 O2 P -","- C16 H17 Cl3 N3 O2 P -","- C64 H68 Cl12 N12 O8 P4 -","4","1","LH5469","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Fadaei, Hassan; Nečas, Marek; Babiak, Michal","N,N'-Bis(4-methylphenyl)-N''-(2,2,2-trichloroacetyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","6","o1813","","10.1107/S160053681202154X","","","0.71073","MoKα","","0.0344","0.0278","","","0.0698","0.0717","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235145","8.1332","0.0014","11.816","0.002","11.85","0.002","95.696","0.009","108.148","0.008","102.416","0.008","1039.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate","","- C15 H18 Cl N9 O11 -","- C15 H18 Cl N9 O11 -","- C30 H36 Cl2 N18 O22 -","2","1","LH5470","Berrah, Fadila; Bouacida, Sofiane; Bouhraoua, Ahlem; Roisnel, Thierry","2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate","Acta Crystallographica Section E","2012","68","6","o1714","o1715","10.1107/S1600536812021071","","","0.71073","MoKα","","0.0431","0.0381","","","0.0966","0.1","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235146","8.7579","0.0002","10.6985","0.0003","15.3603","0.0006","72.079","0.003","77.582","0.003","86.538","0.002","1337.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(μ-N-nitroso-N-phenylhydroxylaminato)- κ^3^O,O':O';κ^3^O':O,O'- bis[(N-nitroso-N-phenylhydroxylaminato- κ^2^O,O')lead(II)]","","- C24 H20 N8 O8 Pb2 -","- C24 H20 N8 O8 Pb2 -","- C48 H40 N16 O16 Pb4 -","2","1","LH5471","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","A second triclinic polymorph of bis(μ-N-nitroso-N-phenylhydroxylaminato)-κ^3^O,O':O';κ^3^O':O,O'-bis[(N-nitroso-N-phenylhydroxylaminato-κ^2^O,O')lead(II)]","Acta Crystallographica Section E","2012","68","6","m791","","10.1107/S1600536812021885","","","0.71073","MoKα","","0.0287","0.0239","","","0.0547","0.0572","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235147","11.5605","0.0007","13.0076","0.0008","13.6456","0.0008","92.243","0.001","99.247","0.001","106.092","0.001","1938.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[4,6-Dimethylpyrimidine-2(1H)-thione- κS]iodidobis(triphenylphosphane-κP)copper(I)","","- C42 H38 Cu I N2 P2 S -","- C42 H38 Cu I N2 P2 S -","- C84 H76 Cu2 I2 N4 P4 S2 -","2","1","LH5472","Pakawatchai, Chaveng; Wattanakanjana, Yupa; Choto, Patcharanan; Nimthong, Ruthairat","[4,6-Dimethylpyrimidine-2(1H)-thione-κS]iodidobis(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2012","68","6","m773","m774","10.1107/S1600536812021010","","","0.71073","MoKα","","0.034","0.0278","","","0.0716","0.075","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235148","6.8502","0.0014","8.6667","0.0017","11.255","0.002","67.48","0.001","87.32","0.002","85.97","0.002","615.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate","","- C8 H11 Cl2 N3 O4 -","- C8 H11 Cl2 N3 O4 -","- C16 H22 Cl4 N6 O8 -","2","1","LH5473","Lin, Cui-Hua; Liu, Nai-Sheng","2-Amino-4,6-dimethoxypyrimidin-1-ium 2,2-dichloroacetate","Acta Crystallographica Section E","2012","68","6","o1898","","10.1107/S1600536812021496","","","0.71073","MoKα","","0.0654","0.0542","","","0.1747","0.1996","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235149","17.237","0.003","10.466","0.002","26.554","0.005","90","","102.378","0.004","90","","4679.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-2-(1H-1,2,4- triazol-1-yl)prop-2-en-1-one","","- C17 H10 Cl F2 N3 O -","- C17 H10 Cl F2 N3 O -","- C204 H120 Cl12 F24 N36 O12 -","12","3","LH5474","Peng, Xin-Mei; Yin, Ben-Tao; Zhou, Cheng-He","(Z)-3-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1828","","10.1107/S1600536812022118","","","0.71073","MoKα","","0.083","0.0446","","","0.1118","0.133","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235150","9.0002","0.0017","12.045","0.002","12.357","0.002","118.386","0.002","101.701","0.003","99.494","0.003","1099.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N^1^,N^4^,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","","- C8 H14 N6 O2 -","- C8 H14 N6 O2 -","- C32 H56 N24 O8 -","4","2","LH5475","Sun, Na-Bo; Rao, Guo-Wu; Shen, Qun","N^1^,N^4^,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","6","o1841","o1842","10.1107/S1600536812022519","","","0.71073","MoKα","","0.0534","0.0442","","","0.1102","0.1154","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235151","12.6336","0.0004","11.9333","0.0003","12.0471","0.0004","90","","113.581","0.002","90","","1664.56","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene- 3-carbonitrile","","- C21 H15 F N2 O2 -","- C21 H15 F N2 O2 -","- C84 H60 F4 N8 O8 -","4","1","LH5476","Al-Dies, Al-Anood M.; Amr, Abdel-Galil E.; El-Agrody, Ahmed M.; Chia, Tze Shyang; Fun, Hoong-Kun","2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1934","o1935","10.1107/S1600536812023021","","","1.54178","CuKα","","0.0521","0.047","","","0.1273","0.1317","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235152","8.3244","0.0017","12.992","0.003","13.54","0.003","85.79","0.03","84.67","0.03","87.17","0.03","1452.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[tetraaquabis(μ~3~-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]","","- C20 H22 Cd3 O24 -","- C20 H22 Cd3 O24 -","- C40 H44 Cd6 O48 -","2","1","LH5477","Jia, Yong-Yan; Xie, Xin-Nian; Yang, Huai-Xia","Poly[[tetraaquabis(μ~3~-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]","Acta Crystallographica Section E","2012","68","6","m801","m802","10.1107/S1600536812022726","","","0.71073","MoKα","","0.0325","0.0289","","","0.0659","0.0683","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235153","5.9864","0.0003","7.4724","0.0005","11.0235","0.0008","83.103","0.006","80.04","0.005","80.02","0.005","476.26","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one","","- C9 H10 Cl N3 O -","- C9 H10 Cl N3 O -","- C18 H20 Cl2 N6 O2 -","2","1","LH5478","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1939","","10.1107/S1600536812023537","","","0.71073","MoKα","","0.107","0.0677","","","0.1733","0.205","","","","","","0.978","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235154","9.1202","0.0018","11.543","0.002","12.158","0.002","74.677","0.003","70.566","0.003","79.903","0.003","1158.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1H- imidazol-3-ium) [silver(I)-di-μ-iodido-silver(I)-di-μ-iodido]]","","- C13 H22 Ag2 I4 N4 -","- C13 H22 Ag2 I4 N4 -","- C26 H44 Ag4 I8 N8 -","2","1","LR2057","Huo, Jian-Zhong; Zhao, Zhi-Xiang; Shi, Men-Chao; Li, Hui-Long; Liu, Qing-Xiang","catena-Poly[3,3'-diethyl-1,1'-(propane-1,3-diyl)di(1H-imidazol-3-ium) [silver(I)-di-μ-iodido-silver(I)-di-μ-iodido]]","Acta Crystallographica Section E","2012","68","6","m787","","10.1107/S1600536812020715","","","0.71073","MoKα","","0.0315","0.029","","","0.0736","0.0753","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235155","11.0344","0.0002","11.6796","0.0002","17.0884","0.0003","90","","90","","90","","2202.31","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridyl-κ^2^N,N')dichloridorhodium(III) perchlorate","","- C20 H16 Cl3 N4 O4 Rh -","- C20 H16 Cl3 N4 O4 Rh -","- C80 H64 Cl12 N16 O16 Rh4 -","4","1","LR2059","Dikhtiarenko, Alla; Torre-Fernández, Laura; García-Granda, Santiago; García, José R.; Gimeno, José","Bis(2,2'-bipyridyl-κ^2^N,N')dichloridorhodium(III) perchlorate","Acta Crystallographica Section E","2012","68","6","m713","m714","10.1107/S1600536812018685","","","0.7107","MoKα","","0.0594","0.0423","","","","0.0809","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235156","4.1059","0.0001","23.1112","0.0005","11.4702","0.0003","90","","92.942","0.001","90","","1087","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acetamidoanilinium nitrate monohydrate","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C32 H52 N12 O20 -","4","1","LR2060","Riahi, Sana; Mrad, Mohamed Lahbib; Ferretti, Valeria; Lefebvre, Frederic; Ben Nasr, Cherif","4-Acetamidoanilinium nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","o1647","","10.1107/S1600536812019393","","","0.71073","MoKα","","0.0661","0.0457","","","0.1276","0.1422","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235157","8.59","0.003","12.885","0.005","17.237","0.007","90","","90","","90","","1907.8","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminocyclohexan-1-aminium thiocyanate","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C56 H120 N24 S8 -","8","1","LR2062","Salem, Halima F.; Hasbullah, Siti Aishah; Yamin, Bohari M.","2-Aminocyclohexan-1-aminium thiocyanate","Acta Crystallographica Section E","2012","68","6","o1732","","10.1107/S1600536812020879","","","0.71073","MoKα","","0.0535","0.0451","","","0.1072","0.1116","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235158","13.7314","0.0015","13.7314","0.0015","22.235","0.003","90","","90","","120","","3630.8","0.7","130","2","130","2","","","","","","","","3","R -3 :H","-R 3","148","","Tris[2-(2H-indazol-2-yl)ethyl]amine","","- C27 H27 N7 -","- C27 H27 N7 -","- C162 H162 N42 -","6","0.333333","LR2063","Ovalle, Saúl; Elizondo Martínez, Perla; Pérez Rodríguez, Nancy; Bernès, Sylvain; Flores-Alamo, Marcos","Tris[2-(2H-indazol-2-yl)ethyl]amine","Acta Crystallographica Section E","2012","68","6","o1879","o1880","10.1107/S1600536812022027","","","0.71073","MoKα","","0.0778","0.0446","","","0.1174","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235159","11.585","0.004","9.652","0.003","15.45","0.004","90","","123.604","0.017","90","","1438.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(nitrato-κO)copper(II)]-bis[μ-1,3- bis(imidazol-1-yl)-5-methylbenzene-κ^2^N^3^:N^3'^]] dihydrate]","","- C26 H28 Cu N10 O8 -","- C26 H28 Cu N10 O8 -","- C52 H56 Cu2 N20 O16 -","2","0.5","LR2064","Liu, Guang-Xiang","catena-Poly[[[bis(nitrato-κO)copper(II)]-bis[μ-1,3-bis(imidazol-1-yl)-5-methylbenzene-κ^2^N^3^:N^3'^]] dihydrate]","Acta Crystallographica Section E","2012","68","6","m840","","10.1107/S1600536812023628","","","0.71073","MoKα","","0.053","0.0356","","","0.0867","0.1008","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235160","7.07","0.0014","13.441","0.003","10.156","0.002","90","","90","","90","","965.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","LX2242","Tian, Hai-Yan; Bi, Jian-Cong; Zhang, Hong-Xia; Zhang, Juan","3,8-Dimethyl-4-oxo-3,4-dihydroquinazoline-6-carbonitrile","Acta Crystallographica Section E","2012","68","6","o1959","","10.1107/S1600536812022088","","","0.71073","MoKα","","0.0375","0.0347","","","0.0941","0.0954","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235161","7.3918","0.0005","12.2587","0.0004","8.1671","0.0003","90","","111.72","0.001","90","","687.51","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Cyanopyridinium bromide","","- C6 H5 Br N2 -","- C6 H5 Br N2 -","- C24 H20 Br4 N8 -","4","1","MW2067","Zheng, Wen-Ni","4-Cyanopyridinium bromide","Acta Crystallographica Section E","2012","68","6","o1825","","10.1107/S160053681202209X","","","0.71073","MoKα","","0.0402","0.0316","","","0.0633","0.0658","","","","","","0.949","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235162","7.4985","0.0001","8.2709","0.0001","10.4177","0.0001","72.156","0.001","78.323","0.001","89.792","0.001","601.107","0.013","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(2-azaniumylethyl)piperazin-1-ium] di-μ-sulfido-bis[disulfidogermanate(II)]","","- C12 H34 Ge2 N6 S6 -","- C12 H34 Ge2 N6 S6 -","- C12 H34 Ge2 N6 S6 -","1","0.5","MW2068","Zhang, Bei-Bei; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis[4-(2-azaniumylethyl)piperazin-1-ium] di-μ-sulfido-bis[disulfidogermanate(II)]","Acta Crystallographica Section E","2012","68","6","m822","","10.1107/S1600536812022040","","","0.71073","MoKα","","0.0192","0.0172","","","0.0429","0.0437","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235163","20.522","0.0017","14.1916","0.0011","6.006","0.0004","90","","90","","90","","1749.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-{(E)-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2- methylphenyl)urea","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","MW2069","Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-{(E)-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2-methylphenyl)urea","Acta Crystallographica Section E","2012","68","6","o1848","o1849","10.1107/S1600536812022659","","","0.71073","MoKα","","0.0612","0.0451","","","0.0893","0.0973","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235164","9.581","0.0016","6.7405","0.0012","28.886","0.005","90","","92.164","0.002","90","","1864.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dihydrocryptopine","6,7-dimethoxy-12-methyl-16,18-dioxa-12- azatetracyclo[12.7.0.0^4,9^.0^15,19^]henicosa-1(21),4,6,8,14,19-hexaen-3-ol","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","NC2270","Sun, Wenwen; Cao, Lei; Zhang, Cen; Zhu, Lifei; Zhou, Le","Dihydrocryptopine","Acta Crystallographica Section E","2012","68","6","o1762","","10.1107/S1600536812017588","","","0.71073","MoKα","","0.0507","0.0378","","","0.0948","0.1047","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235165","17.779","0.004","3.8405","0.0009","19.026","0.004","90","","92.984","0.008","90","","1297.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[Hydroxy(4-methoxyphenyl)methylidene]indane-1,3-dione","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","1","NC2275","Gu, Jing-Chi; Zhu, Bi-Xue; Zhang, Yun-Qian","2-[Hydroxy(4-methoxyphenyl)methylidene]indane-1,3-dione","Acta Crystallographica Section E","2012","68","6","o1907","","10.1107/S1600536812021824","","","0.71073","MoKα","","0.0822","0.0486","","","0.1144","0.127","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235166","23.356","0.0018","6.8191","0.0003","15.7067","0.001","90","","119.92","0.009","90","","2168.2","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-Methylpiperazin-4-ium-1-yl)dithiocarbamate sesquihydrate","","- C6 H16 N3 O1.5 S2 -","- C6 H16 N3 O1.5 S2 -","- C48 H128 N24 O12 S16 -","8","1","NC2276","Mietlarek-Kropidłowska, Anna; Chojnacki, Jarosław; Wityk, Paweł; Wieczór, Miłosz; Becker, Barbara","N-(4-Methylpiperazin-4-ium-1-yl)dithiocarbamate sesquihydrate","Acta Crystallographica Section E","2012","68","6","o1717","","10.1107/S1600536812020521","","","0.71073","MoKα","","0.0497","0.0411","","","0.1086","0.113","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235167","11.072","0.0003","8.9617","0.0002","30.6266","0.0007","90","","100","0.002","90","","2992.72","0.13","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane- κ^2^P,S](η^5^-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate","","- C31 H38 Cl2 Ir O P S -","- C31 H38 Cl2 Ir O P S -","- C124 H152 Cl8 Ir4 O4 P4 S4 -","4","1","NC2278","Ludwig, Gerd; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Steinborn, Dirk","Chlorido[1-diphenylphosphanyl-3-(phenylsulfanyl)propane-κ^2^P,S](η^5^-pentamethylcyclopentadienyl)iridium(III) chloride monohydrate","Acta Crystallographica Section E","2012","68","6","m858","","10.1107/S1600536812021964","","","0.71073","MoKα","","0.0458","0.0411","","","0.087","0.0883","","","","","","1.247","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235168","5.0922","0.001","6.7526","0.0014","8.6578","0.0017","90","","90.17","0.03","90","","297.7","0.1","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3-Ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C8 H14 N6 S2 -","2","0.5","NC2279","Jing, Bi; Du, Yuao-Chao; Zhu, Ai-Xin","3-Ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","6","o1802","","10.1107/S1600536812021927","","","0.71073","MoKα","","0.0441","0.0422","","","0.1151","0.116","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235169","10.4449","0.0005","7.7754","0.0004","20.2119","0.001","90","","99.354","0.001","90","","1619.65","0.14","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-({4-[4-(1H-Benzimidazol-2-yl)phenyl]-1H- 1,2,3-triazol-1-yl}methoxy)ethanol","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C72 H68 N20 O8 -","4","1","NC2282","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; Bats, Jan W.; Engels, Joachim W.","2-({4-[4-(1H-Benzimidazol-2-yl)phenyl]-1H-1,2,3-triazol-1-yl}methoxy)ethanol","Acta Crystallographica Section E","2012","68","6","o1908","","10.1107/S1600536812023410","","","0.71073","MoKα","","0.0876","0.0587","","","0.0936","0.1016","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235170","21.8234","0.0002","21.8234","","18.8025","0.0005","90","","90","","90","","8954.9","0.3","298","2","298","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-thioxanthene","","- C23 H28 Br2 S -","- C23 H28 Br2 S -","- C368 H448 Br32 S16 -","16","1","NG5262","Rubio, Omayra H.; Fuentes de Arriba, Angel L.; Sanz, Francisca; Muniz, Francisco M.; Morán, Joaquín R.","4,5-Dibromo-2,7-di-tert-butyl-9,9-dimethyl-9H-thioxanthene","Acta Crystallographica Section E","2012","68","6","o1814","","10.1107/S1600536812020624","","","1.54178","CuKα","","0.043","0.0396","","","0.1114","0.1141","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235171","12.102","0.002","16.035","0.003","7.2883","0.0015","90","","94.17","0.03","90","","1410.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)- 5-methylnicotinic acid","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","NG5267","Liu, Li-Ping; Wang, Xiao-Dan; Zhang, Shuang; Gao, Jin-Sheng","2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylnicotinic acid","Acta Crystallographica Section E","2012","68","6","o1692","","10.1107/S1600536812020478","","","0.71073","MoKα","","0.0628","0.0455","","","0.1344","0.1445","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235172","5.8725","0.001","15.013","0.003","19.241","0.008","90","","104.42","0.03","90","","1642.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')zinc]- μ-furan-2,5-dicarboxylato- κ^4^O^2^,O^2'^:O^5^,O^5'^]","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","NG5269","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan; Gao, Yue","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')zinc]-μ-furan-2,5-dicarboxylato-κ^4^O^2^,O^2'^:O^5^,O^5'^]","Acta Crystallographica Section E","2012","68","6","m750","","10.1107/S1600536812019836","","","0.71073","MoKα","","0.1075","0.055","","","0.0986","0.1214","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235173","8.3401","0.0017","6.9084","0.0014","13.994","0.003","90","","96.082","0.004","90","","801.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1E,4E)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","0.5","NG5270","Zhang, Ya-Li; Xiang, Liu-Fang; Zou, Peng; Jin, Yi-Jun; Yang, Shu-Lin","(1E,4E)-1-(Thiophen-2-yl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","6","o1859","","10.1107/S1600536812022465","","","0.71073","MoKα","","0.0491","0.046","","","0.1322","0.137","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235174","9.1117","0.0004","16.499","0.0008","10.8875","0.0006","90","","101.068","0.004","90","","1606.32","0.14","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium chloride dichloromethane disolvate","","- C29 H41 Cl5 N2 -","- C29 H41 Cl5 N2 -","- C58 H82 Cl10 N4 -","2","0.5","NG5271","Berger, Matthias; Auner, Norbert; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium chloride dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1844","","10.1107/S1600536812022234","","","0.71073","MoKα","","0.08","0.0746","","","0.1798","0.1839","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235175","9.1874","0.0008","16.5165","0.0012","11.03","0.001","90","","102.332","0.007","90","","1635.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium bromide dichloromethane disolvate","","- C29 H41 Br Cl4 N2 -","- C29 H41 Br Cl3.998 N2 -","- C58 H82 Br2 Cl7.996 N4 -","2","0.5","NG5272","Berger, Matthias; Auner, Norbert; Sinke, Tanja; Bolte, Michael","1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2012","68","6","o1845","","10.1107/S1600536812022246","","","0.71073","MoKα","","0.0441","0.0377","","","0.0875","0.0901","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235176","8.76","0.0007","15.475","0.0012","12.5004","0.001","90","","102.66","0.002","90","","1653.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,3-Di-2-pyridylpyrazine-κ^2^N^2^,N^3^)diiodidoplatinum(II)","","- C14 H10 I2 N4 Pt -","- C14 H10 I2 N4 Pt -","- C56 H40 I8 N16 Pt4 -","4","1","NG5273","Ha, Kwang","(2,3-Di-2-pyridylpyrazine-κ^2^N^2^,N^3^)diiodidoplatinum(II)","Acta Crystallographica Section E","2012","68","6","m834","","10.1107/S1600536812023501","","","0.71073","MoKα","","0.0373","0.0293","","","0.0694","0.077","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235177","9.0721","0.0005","10.5156","0.0006","11.5351","0.0006","89.064","0.005","67.307","0.004","75.33","0.005","978.06","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(μ-di-tert-butylphosphanido)bis[(di-tert- butylphosphane)palladium(I)]","","- C32 H74 P4 Pd2 -","- C32 H74 P4 Pd2 -","- C32 H74 P4 Pd2 -","1","0.5","NG5274","Breunig, Jens; Lerner, Hans-Wolfram; Bolte, Michael","A triclinic polymorph of bis(μ-di-tert-butylphosphanido)bis[(di-tert-butylphosphane)palladium(I)]","Acta Crystallographica Section E","2012","68","6","m836","","10.1107/S1600536812023574","","","0.71073","MoKα","","0.0465","0.0421","","","0.109","0.1112","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235178","6.8364","0.0014","9.5308","0.0019","10.131","0.002","67.52","0.03","71.22","0.03","78.1","0.03","574.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(1H-Pyrazol-3-yl)pyridine‒terephthalic acid‒water (2/1/2)","","- C24 H24 N6 O6 -","- C24 H24 N6 O6 -","- C24 H24 N6 O6 -","1","0.5","NK2153","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","4-(1H-Pyrazol-3-yl)pyridine‒terephthalic acid‒water (2/1/2)","Acta Crystallographica Section E","2012","68","6","o1942","","10.1107/S1600536812021599","","","0.71073","MoKα","","0.1155","0.0639","","","0.1138","0.1281","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235179","11.7578","0.0005","11.8071","0.0005","25.1339","0.0018","90","","91.858","0.006","90","","3487.4","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Phenyl-1H-imidazole-2(3H)-thione","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C144 H128 N32 S16 -","16","4","NK2157","Owczarzak, Anita M.; Kubicki, Maciej","4-Phenyl-1H-imidazole-2(3H)-thione","Acta Crystallographica Section E","2012","68","6","o1686","","10.1107/S1600536812020090","","","0.71073","MoKα","","0.0823","0.0646","","","0.1524","0.1646","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235180","15.141","0.002","15.141","0.002","6.422","0.0013","90","","90","","90","","1472.2","0.4","95","2","95","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[trans-dichloridobis(propane-1,3-diamine- κ^2^N,N')chromium(III)] tetrachloridozincate","","- C12 H40 Cl8 Cr2 N8 Zn -","- C12 H40 Cl8 Cr2 N8 Zn -","- C24 H80 Cl16 Cr4 N16 Zn2 -","2","0.25","NK2158","Moon, Dohyun; Subhan, Md Abdus; Choi, Jong-Ha","Bis[trans-dichloridobis(propane-1,3-diamine-κ^2^N,N')chromium(III)] tetrachloridozincate determined using synchrotron radiation","Acta Crystallographica Section E","2012","68","6","m832","","10.1107/S1600536812023355","","","0.9","synchrotron","","0.0678","0.0656","","","0.1952","0.1977","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235181","13.5388","0.0003","7.266","0.0001","24.1083","0.0004","90","","90","","90","","2371.6","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","NK2160","Mirošová, Pavla; Nečas, Marek; Vícha, Robert","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2012","68","6","o1827","","10.1107/S1600536812022283","","","0.71073","MoKα","","0.0321","0.0266","","","0.0689","0.0738","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235182","12.6549","0.0018","12.6549","0.0018","43.616","0.009","90","","90","","120","","6049.1","1.7","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tris(cis-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","","- C18 H59 Cl8 N9 O9 S -","- C18 H54 Cl8 N9 O8.996 S -","- C108 H324 Cl48 N54 O53.976 S6 -","6","0.333333","NK2161","Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar","Tris(cis-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate","Acta Crystallographica Section E","2012","68","6","o1899","o1900","10.1107/S1600536812022374","","","0.71073","MoKα","","0.0378","0.0367","","","0.1008","0.1014","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235183","7.2026","0.0004","13.4736","0.0008","14.9785","0.0008","90","","93.792","0.005","90","","1450.41","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(Dimethylamino)pyridine-κN^1^]trimethyl(thiocyanato- κN)tin(IV)","","- C11 H19 N3 S Sn -","- C11 H19 N3 S Sn -","- C44 H76 N12 S4 Sn4 -","4","1","NK2162","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","[4-(Dimethylamino)pyridine-κN^1^]trimethyl(thiocyanato-κN)tin(IV)","Acta Crystallographica Section E","2012","68","6","m790","","10.1107/S1600536812022064","","","0.71073","MoKα","","0.066","0.06","","","0.1932","0.1967","","","","","","1.234","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235184","7.6975","0.0011","5.7776","0.0008","16.034","0.002","90","","98.999","0.002","90","","704.3","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DL-alanine hydroiodide","1-carboxyethanaminium iodide","","- C3 H8 I N O2 -","- C3 H8 I N O2 -","- C12 H32 I4 N4 O8 -","4","1","NK2163","Lamberts, Kevin; Englert, Ulli","DL-Alaninium iodide","Acta Crystallographica Section E","2012","68","6","o1846","","10.1107/S1600536812022003","","","0.71073","MoKα","","0.0309","0.0263","","","0.0597","0.0617","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235185","11.561","0.005","14.657","0.007","20.457","0.01","90","","90","","90","","3466","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxyisogarcinol","10-(3-Hydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-enyl)- 3,4,4a,5,6,7-hexahydro-4a,8-methano-2H-cycloocta[b]pyran- 9,11(8H)-dione","","- C38 H50 O5 -","- C38 H50 O5 -","- C152 H200 O20 -","4","1","NR2023","Kaur, Ranjeet; Vasudev, Prema G.; Chattopadhyay, Sunil K.","(1S,5R,7R,30S)-14-Deoxyisogarcinol","Acta Crystallographica Section E","2012","68","6","o1861","o1862","10.1107/S1600536812020788","","","0.71073","MoKα","","0.1741","0.0682","","","0.1669","0.2464","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235186","7.5329","0.0003","11.8099","0.0005","9.7632","0.0004","90","","92.94","0.003","90","","867.42","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Pyridin-2-yl)-1,3-oxathiane","","- C9 H11 N O S -","- C9 H11 N O S -","- C36 H44 N4 O4 S4 -","4","1","NR2024","Turner, David; Fratini, Albert; Turro, Claudia; Check, Michael; Hunter, Chad","2-(Pyridin-2-yl)-1,3-oxathiane","Acta Crystallographica Section E","2012","68","6","o1675","","10.1107/S1600536812018661","","","1.54178","CuKα","","0.0327","0.0319","","","0.0847","0.0853","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235187","11.093","0.004","11.604","0.004","21.226","0.007","90","","101.777","0.005","90","","2674.8","1.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-1H-isoindol-1-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","NR2026","Wang, Hong-Yao; Yang, Jing-Kui","2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-1H-isoindol-1-one","Acta Crystallographica Section E","2012","68","6","o1795","","10.1107/S1600536812021575","","","0.71073","MoKα","","0.0617","0.0419","","","0.1049","0.1138","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235188","8.6542","0.0007","12.1882","0.001","12.4272","0.001","90","","98.39","0.001","90","","1296.78","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[(methanol)(μ~4~-2,4,5,6-tetrafluorobenzene-1,3- dicarboxylato)copper(II)] methanol monosolvate]","","- C10 H8 Cu F4 O6 -","- C10 H8 Cu F4 O6 -","- C40 H32 Cu4 F16 O24 -","4","1","PK2400","Yan, Dan; Duan, Qian","Poly[[(methanol)(μ~4~-2,4,5,6-tetrafluorobenzene-1,3-dicarboxylato)copper(II)] methanol monosolvate]","Acta Crystallographica Section E","2012","68","6","m768","m769","10.1107/S1600536812020740","","","0.71073","MoKα","","0.0354","0.0326","","","0.0895","0.0918","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235189","15.9777","0.0013","11.4504","0.0009","7.7573","0.0006","90","","90","","90","","1419.21","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","0.5","PK2402","Campos-Gaxiola, José J.; Höpfl, Herbert; Aguirre, Gerardo; Parra-Hake, Miguel","2,4,5-Tris(pyridin-4-yl)-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","6","o1873","","10.1107/S1600536812022611","","","0.71073","MoKα","","0.0444","0.0389","","","0.1025","0.1066","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235190","9.0048","0.0019","10.811","0.002","12.729","0.003","101.205","0.003","103.899","0.003","112.376","0.003","1054.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-(4-Fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole- 5(4H)-thione","","- C10 H9 F N4 S -","- C10 H9 F N4 S -","- C40 H36 F4 N16 S4 -","4","2","PK2403","Devarajegowda, H. C.; Jeyaseelan, S.; Sathishkumar, R.; D'souza, Agnes Sylvia; D'souza, Alphonsus","4-[(E)-(4-Fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","6","o1607","","10.1107/S1600536812019174","","","0.71073","MoKα","","0.0368","0.0329","","","0.0836","0.0854","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235191","14.489","0.002","8.2989","0.0012","16.706","0.003","90","","114.313","0.003","90","","1830.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl (2E,4Z)-5-diethylamino-2-(phenylsulfonyl)penta-2,4-dienoate","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","PK2405","Song, Guo-Qiang; Yu, Pei-Pei; Huang, Xian-Feng","Ethyl (2E,4Z)-5-diethylamino-2-(phenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2012","68","6","o1919","","10.1107/S1600536812023483","","","0.71073","MoKα","","0.0835","0.0589","","","0.151","0.1682","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235192","13.9048","0.0011","13.7637","0.0011","10.0569","0.0008","90","","109.142","0.002","90","","1818.3","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine monohydrate","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","0.5","PK2409","Shin, Jong Won; Min, Kil Sik","N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine monohydrate","Acta Crystallographica Section E","2012","68","6","o1600","","10.1107/S1600536812019010","","","0.71073","MoKα","","0.0998","0.0505","","","0.1257","0.1625","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235193","7.574","0.002","13.903","0.004","14.814","0.004","110.574","0.015","96.936","0.013","93.64","0.014","1440.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ^6^,2-benzothiazole-1,1,3-trione","","- C15 H10 Br N O4 S -","- C15 H10 Br N O4 S -","- C60 H40 Br4 N4 O16 S4 -","4","2","PK2412","Sattar, Nazia; Siddiqui, Hamid Latif; Siddiqui, Waseeq Ahmad; Akram, Muhammad; Parvez, Masood","2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ^6^,2-benzothiazole-1,1,3-trione","Acta Crystallographica Section E","2012","68","6","o1889","o1890","10.1107/S1600536812022428","","","0.71073","MoKα","","0.0685","0.0499","","","0.0949","0.1047","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235194","10.495","0.004","8.415","0.002","15.136","0.006","90","","91.034","0.019","90","","1336.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethyl-5,5-dioxo-2H,4H- pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetic acid","","- C13 H13 N3 O4 S -","- C13 H13 N3 O4 S -","- C52 H52 N12 O16 S4 -","4","1","PK2415","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","6","o1970","o1971","10.1107/S1600536812023677","","","0.71073","MoKα","","0.0685","0.0415","","","0.0966","0.11","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235195","9.746","0.002","10.98","0.002","9.426","0.002","90","","96.33","0.03","90","","1002.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2-Dibromo-N-(4-fluorophenyl)acetamide","","- C8 H6 Br2 F N O -","- C8 H6 Br2 F N O -","- C32 H24 Br8 F4 N4 O4 -","4","1","PV2533","Qian, Xiangjun; Fang, Zheng; Bao, Shuxin; Guo, Kai; Wei, Ping","2,2-Dibromo-N-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","6","o1824","","10.1107/S1600536812021174","","","0.71073","MoKα","","0.1369","0.0576","","","0.0791","0.094","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235196","9.575","0.0019","13.027","0.003","8.834","0.0018","90","","92.07","0.03","90","","1101.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Fluorophenyl)-2,2-dimethylpropanamide","","- C11 H14 F N O -","- C11 H14 F N O -","- C44 H56 F4 N4 O4 -","4","1","PV2534","Fang, Zheng; Zhang, Feng; Zou, Bao-hua; Guo, Kai","N-(4-Fluorophenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","6","o1757","","10.1107/S1600536812020570","","","0.71073","MoKα","","0.1244","0.0621","","","0.1294","0.1546","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235197","6.847","0.0014","9.627","0.0019","10.544","0.002","100.66","0.03","91.65","0.03","94.26","0.03","680.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[4-(Benzyloxy)benzylidene]malononitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","PV2535","Gan, Hai-feng; Liu, Xue-wei; Fang, Zheng; Guo, Kai","2-[4-(Benzyloxy)benzylidene]malononitrile","Acta Crystallographica Section E","2012","68","6","o1690","","10.1107/S1600536812020053","","","0.71073","MoKα","","0.0904","0.0609","","","0.1574","0.1764","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235198","7.3985","0.0009","10.4953","0.0013","12.4094","0.0015","65.554","0.002","79.372","0.002","89.766","0.002","859.34","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea","","- C18 H20 F2 N2 O2 S -","- C18 H20 F2 N2 O2 S -","- C36 H40 F4 N4 O4 S2 -","2","1","PV2537","Mohamed, Shaaban K.; Jaber, Abdel-Aal M.; Saeed, Sohail; Ahmad, Khuram Shahzad; Wong, Wing-Tak","1-(Adamantan-1-ylcarbonyl)-3-(2,6-difluoro-4-hydroxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","6","o1597","","10.1107/S1600536812018806","","","0.71073","MoKα","","0.05","0.0377","","","0.0908","0.0997","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235199","7.4882","0.0002","11.7438","0.0002","18.0235","0.0004","90","","90","","90","","1584.99","0.06","90","0.5","90","0.5","101.3","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo- 1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","","- C11 H23 I N O5 P -","- C11 H23 I N O5 P -","- C44 H92 I4 N4 O20 P4 -","4","1","PV2538","Fulfer, Bradford W.; Fronczek, Frank R.; Watkins, Steven F.","(2R,4R)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo-1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","Acta Crystallographica Section E","2012","68","6","o1596","","10.1107/S1600536812018466","","","0.71073","MoKα","","","0.016","","","","0.0386","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235200","24.0511","0.001","7.8521","0.0003","19.7403","0.0009","90","","121.661","0.003","90","","3173.1","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C136 H120 N8 O40 -","8","1","PV2539","Anuradha, T.; Devaraj, A.; Seshadri, P. R.; Bakthadoss, M.","Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","6","o1748","","10.1107/S1600536812021009","","","0.71073","MoKα","","0.0849","0.0521","","","0.1219","0.1452","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235201","9.714","0.003","11.633","0.003","16.226","0.004","90","","102.291","0.004","90","","1791.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(N,N',N''-triisopropylguanidinium) fumarate‒fumaric acid (1/1)","","- C28 H54 N6 O8 -","- C28 H54 N6 O8 -","- C56 H108 N12 O16 -","2","0.5","PV2540","Said, Farouq F.; Ali, Basem F.; Richeson, Darrin; Korobkov, Ilia","Bis(N,N',N''-triisopropylguanidinium) fumarate‒fumaric acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1906","","10.1107/S1600536812023094","","","0.71073","MoKα","","0.0519","0.0435","","","0.1228","0.13","","","","","","1.041","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2235202","6.117","0.0012","10.123","0.002","18.868","0.004","90","","91.36","0.03","90","","1168","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-Methyl-2-nitropropyl)-1H-indole","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","PV2541","Fang, Zheng; Zhang, Feng; Zou, Bao-hua; Guo, Kai","3-(2-Methyl-2-nitropropyl)-1H-indole","Acta Crystallographica Section E","2012","68","6","o1758","","10.1107/S1600536812020582","","","0.71073","MoKα","","0.1304","0.0573","","","0.1391","0.1788","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235203","15.1221","0.0007","5.6518","0.0001","13.6926","0.0006","90","","113.22","0.04","90","","1075.5","0.3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-Cyanoanilinium hydrogen oxalate hemihydrate","","- C9 H9 N2 O4.5 -","- C9 H9 N2 O4.5 -","- C36 H36 N8 O18 -","4","1","PV2542","Chen, Xin-Yuan","3-Cyanoanilinium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2012","68","6","o1678","","10.1107/S1600536812019824","","","0.71073","MoKα","","0.0709","0.0543","","","0.1419","0.156","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235204","8.3411","0.0017","9.0638","0.0018","13.162","0.003","77.105","0.004","82.394","0.004","72.865","0.004","924.6","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","Caffeine‒N-phthaloyl-β-alanine (1/1)","3-(1,3-dioxoisoindolin-2-yl)propanoic acid‒ 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione (1/1)","","- C19 H19 N5 O6 -","- C19 H19 N5 O6 -","- C38 H38 N10 O12 -","2","1","PV2544","Bhatti, Moazzam H.; Yunus, Uzma; Shah, Syed Raza; Flörke, Ulrich","Caffeine‒N-phthaloyl-β-alanine (1/1)","Acta Crystallographica Section E","2012","68","6","o1888","","10.1107/S1600536812022696","","","0.71073","MoKα","","0.0464","0.0394","","","0.1003","0.1057","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235205","6.5511","0.0011","6.9192","0.0012","8.0265","0.0017","93.73","0.001","102.78","0.001","91.769","0.001","353.68","0.11","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","N-(4-Methylphenyl)formamide","","- C8 H9 N O -","- C8 H9 N O -","- C16 H18 N2 O2 -","2","1","PV2549","Zhao, Min-Min","N-(4-Methylphenyl)formamide","Acta Crystallographica Section E","2012","68","6","o1961","","10.1107/S1600536812024300","","","0.71073","MoKα","","0.0713","0.0464","","","0.1189","0.1273","","","","","","0.902","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235206","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)- [bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine- 2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","QM2066","Shokooh Saljooghi, Amir; Amiri Rudbari, Hadi; Nicolò, Francesco; Zahmati, Maliheh; Delavar Mendi, Fatemeh","[(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate","Acta Crystallographica Section E","2012","68","6","m830","m831","10.1107/S1600536812022039","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235207","10.6015","0.0005","12.0283","0.0007","22.7865","0.0012","90","","101.222","0.004","90","","2850.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2- hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione","","- C31 H38 N6 O S -","- C31 H38 N6 O S -","- C124 H152 N24 O4 S4 -","4","1","QM2068","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Tamimi, Abdul-Malek S.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","6","o1766","o1767","10.1107/S1600536812021204","","","0.71073","MoKα","","0.083","0.0517","","","0.1064","0.1248","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235208","7.4556","0.0004","21.4126","0.001","11.1924","0.0005","90","","99.883","0.001","90","","1760.28","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate","","- C13 H16 Cl4 N4 Zn -","- C13 H16 Cl4 N4 Zn -","- C52 H64 Cl16 N16 Zn4 -","4","1","QM2069","Leesakul, Nararak; Runrueng, Wassana; Saithong, Saowanit; Pakawatchai, Chaveng","2-{2-[4-(Dimethylamino)phenyl]diazen-1-ium-1-yl}pyridinium tetrachloridozincate","Acta Crystallographica Section E","2012","68","6","m837","","10.1107/S1600536812023689","","","0.71073","MoKα","","0.0421","0.0346","","","0.079","0.0822","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235209","8.1625","0.0016","12.692","0.003","13.29","0.003","65.52","0.03","79.47","0.03","84.02","0.03","1231.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(1H-benzotriazol-1-yl)methyl]-2-methyl-1H-imdazole- κN^3^}dichloridozinc","","- C22 H22 Cl2 N10 Zn -","- C22 H22 Cl2 N10 Zn -","- C44 H44 Cl4 N20 Zn2 -","2","1","RK2337","Yang, Haiyan; Li, Yinghua","Bis{1-[(1H-benzotriazol-1-yl)methyl]-2-methyl-1H-imdazole-κN^3^}dichloridozinc","Acta Crystallographica Section E","2012","68","6","m819","","10.1107/S1600536812022313","","","0.71073","MoKα","","0.0376","0.033","","","0.0761","0.079","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235210","6.929","0.002","7.33","0.002","12.179","0.004","101.669","0.003","98.277","0.003","111.796","0.003","545.9","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide","","- C10 H5 Cl F2 N2 O S -","- C10 H5 Cl F2 N2 O S -","- C20 H10 Cl2 F4 N4 O2 S2 -","2","1","RK2350","Liu, Xi-Wang; Li, Jian-Yong; Zhang, Han; Yang, Ya-Jun; Zhang, Ji-Yu","N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide","Acta Crystallographica Section E","2012","68","6","o1857","","10.1107/S1600536812022477","","","0.71073","MoKα","","0.0558","0.0466","","","0.1226","0.1358","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235211","4.0964","0.0017","6.382","0.003","35.608","0.014","90","","90","","90","","930.9","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)acetohydrazide","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","RK2352","Liu, Gang; Gao, Jie","2-(4-Methoxyphenoxy)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1969","","10.1107/S160053681202435X","","","0.71073","MoKα","","0.0341","0.0301","","","0.0842","0.0892","","","","","","0.876","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235212","22.4315","0.0016","3.7666","0.0006","18.064","0.0013","90","","104.682","0.007","90","","1476.4","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Chloroquinazolin-4(3H)-one","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C64 H40 Cl8 N16 O8 -","8","1","RK2353","Cao, Dong-Lei; Yan, Fan-Yong; Wang, Meng; Li, Chu-Ying; Chen, Li","2-Chloroquinazolin-4(3H)-one","Acta Crystallographica Section E","2012","68","6","o1958","","10.1107/S1600536812022891","","","0.71073","MoKα","","0.0453","0.036","","","0.091","0.0954","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235213","5.1416","0.0001","22.5507","0.0007","7.8176","0.0003","90","","97.827","0.001","90","","897.98","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyanilinium 2-carboxyacetate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","RK2357","Wang, Ying-Chun","4-Hydroxyanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","6","o1937","","10.1107/S160053681202363X","","","0.71073","MoKα","","0.0674","0.05","","","0.1212","0.1326","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235214","10.1416","0.001","13.7428","0.0014","6.7395","0.0007","90","","94.331","0.002","90","","936.63","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(1H-Pyrrolo[2,3-b]pyridin-2-yl)pyridine","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","RK2358","Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi","2-(1H-Pyrrolo[2,3-b]pyridin-2-yl)pyridine","Acta Crystallographica Section E","2012","68","6","o1943","","10.1107/S1600536812023690","","","0.71073","MoKα","","0.0778","0.0638","","","0.138","0.1445","","","","","","1.187","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235215","5.9891","0.0002","12.427","0.0005","25.8832","0.001","83.065","0.002","84.86","0.003","76.408","0.002","1855","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol","","- C19 H22 I N O -","- C19 H22 I N O -","- C76 H88 I4 N4 O4 -","4","2","RK2360","Balamurugan, P.; Raja, K. Kanmani; Bilal, I. Mohammed; Chakkaravarthi, G.; Rajagopal, G.","2-[(2,6-Diisopropylphenyl)iminomethyl]-4-iodophenol","Acta Crystallographica Section E","2012","68","6","o1915","","10.1107/S1600536812023653","","","0.71073","MoKα","","0.064","0.039","","","0.096","0.1111","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235216","21.542","0.005","11.684","0.005","15.126","0.005","90","","118.172","0.005","90","","3356","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(pyridin-2-ylmethyl)amine- κ^3^N,N',N'']tricarbonylrhenium(I) bromide monohydrate","","- C15 H14 Br N3 O3.5 Re -","- C15 H14 Br N3 O3.5 Re -","- C120 H112 Br8 N24 O28 Re8 -","8","1","RU2033","Schutte, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","[Bis(pyridin-2-ylmethyl)amine-κ^3^N,N',N'']tricarbonylrhenium(I) bromide hemihydrate","Acta Crystallographica Section E","2012","68","6","m741","m742","10.1107/S1600536812019654","","","0.71073","MoKα","","0.0177","0.0143","","","","0.0312","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235217","8.6803","0.0011","23.0354","0.0008","7.8543","0.0009","90","","109.419","0.001","90","","1481.2","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromidobis[1-(2-bromobenzyl)-3-(pyrimidin-2-yl)-1H-imidazol- 2(3H)-one]copper(II)","","- C28 H22 Br4 Cu N8 O2 -","- C28 H22 Br4 Cu N8 O2 -","- C56 H44 Br8 Cu2 N16 O4 -","2","0.5","RU2034","Lu, Chun-Xin","Dibromidobis[1-(2-bromobenzyl)-3-(pyrimidin-2-yl)-1H-imidazol-2(3H)-one]copper(II)","Acta Crystallographica Section E","2012","68","6","m785","","10.1107/S1600536812021460","","","0.71073","MoKα","","0.0642","0.045","","","0.1112","0.117","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235218","9.2695","0.0004","15.8818","0.0006","16.0498","0.0006","90","","90","","90","","2362.79","0.16","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1H-imidazol-1-yl]-3-phenylpropan-1-ol","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","RZ2739","Yang, Liangru; Xiao, Yongmei; He, Kun; Yuan, Jinwei; Mao, Pu","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1H-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","6","o1670","","10.1107/S1600536812018703","","","1.54178","CuKα","","0.044","0.0381","","","0.0962","0.102","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235219","8.5535","0.0007","8.7124","0.0008","11.7241","0.001","109.824","0.002","96.444","0.002","109.658","0.002","748.33","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane","","- C16 H20 N4 -","- C16 H20 N4 -","- C32 H40 N8 -","2","1","RZ2740","Warad, Ismail; Alruwaili, Afaf; Al-Resayes, Saud I.; Choudhary, M. Iqbal; Yousuf, Sammer","5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane","Acta Crystallographica Section E","2012","68","6","o1786","","10.1107/S1600536812021629","","","0.71073","MoKα","","0.0453","0.0397","","","0.1019","0.1071","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235220","7.696","0.003","9.025","0.003","14.248","0.004","90","","118.726","0.015","90","","867.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azido-1-(4-methylphenyl)ethanone","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","RZ2744","Arshad, Muhammad; Yousuf, Sammer; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-methylphenyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1608","","10.1107/S1600536812018491","","","0.71073","MoKα","","0.0366","0.034","","","0.0877","0.09","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235221","5.32163","0.00011","21.1878","0.0005","16.4585","0.0003","90","","96.9378","0.0017","90","","1842.17","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1-Acetyl-5-benzoyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3- yl)benzamide","","- C21 H18 N4 O3 -","- C21 H18 N4 O3 -","- C84 H72 N16 O12 -","4","1","RZ2745","Bai, Xiao-Guang; Wang, Ju-Xian; Wang, Yu-Cheng","N-(1-Acetyl-5-benzoyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzamide","Acta Crystallographica Section E","2012","68","6","o1677","","10.1107/S1600536812019708","","","1.54184","CuKα","","0.0584","0.0526","","","0.1439","0.1497","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235222","6.3407","0.0013","10.367","0.002","30.516","0.006","90","","90","","90","","2005.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Ditosyl-1,4-diazepane","","- C19 H24 N2 O4 S2 -","- C19 H24 N2 O4 S2 -","- C76 H96 N8 O16 S8 -","4","1","RZ2746","Yang, Shuang-Hua; Zhai, Zhi-Wei","1,4-Ditosyl-1,4-diazepane","Acta Crystallographica Section E","2012","68","6","o1716","","10.1107/S1600536812020958","","","0.71073","MoKα","","0.0374","0.0362","","","0.0821","0.0829","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235223","8.479","0.003","9.007","0.003","12.734","0.004","107.565","0.004","94.068","0.004","99.092","0.004","908.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-{[Bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxy-5-methylbenzaldehyde","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","RZ2747","Wang, Ruo-Xu; Gao, Da-Zhi; Ye, Fan; Wu, Yan-Fei; Zhu, Dun-Ru","3-{[Bis(pyridin-2-ylmethyl)amino]methyl}-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section E","2012","68","6","o1672","o1673","10.1107/S1600536812019940","","","0.71073","MoKα","","0.05","0.0407","","","0.1113","0.1167","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235224","10.1367","0.0005","16.2964","0.0007","17.8995","0.0008","90","","90","","90","","2956.8","0.2","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(4'-chloro-2,2':6',2''-terpyridine- κ^3^N,N',N'')ruthenium(II) dichloride dihydrate","","- C30 H24 Cl4 N6 O2 Ru -","- C30 H24 Cl4 N6 O2 Ru -","- C120 H96 Cl16 N24 O8 Ru4 -","4","1","RZ2748","Wang, Ying; Jiao, Rui; Qiu, Xiang-Lei; Wang, Jian; Huang, Wei","Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^N,N',N'')ruthenium(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","6","m777","m778","10.1107/S1600536812021459","","","0.71073","MoKα","","0.0376","0.0342","","","0.0828","0.0844","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235225","7.5878","0.0003","14.7081","0.0003","11.4164","0.0003","90","","109.174","0.004","90","","1203.41","0.07","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[hemiaqua(N,N,N',N'- tetramethylethane-1,2-diamine)copper(II)] bis(tetrafluoridoborate)","","- C12 H36 B2 Cu2 F8 N4 O3 -","- C12 H36 B2 Cu2 F8.008 N4 O3 -","- C24 H72 B4 Cu4 F16.016 N8 O6 -","2","0.5","RZ2749","Haníková, Jaroslava; Kuchár, Juraj; Trávníček, Zdeněk; Černák, Juraj","Di-μ-hydroxido-bis[hemiaqua(N,N,N',N'-tetramethylethane-1,2-diamine)copper(II)] bis(tetrafluoridoborate)","Acta Crystallographica Section E","2012","68","6","m784","","10.1107/S1600536812021836","","","0.71073","MoKα","","0.0527","0.0461","","","0.1282","0.1425","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235226","11.331","0.003","13.543","0.003","8.5982","0.0019","90","","97.168","0.005","90","","1309.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Nitro-N-[(pyrrolidin-1-yl)carbothioyl]benzamide","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C48 H52 N12 O12 S4 -","4","1","RZ2750","Zulkifli, Nursakinah; Yusoff, Siti Fairus M.; Yamin, Bohari M.","3-Nitro-N-[(pyrrolidin-1-yl)carbothioyl]benzamide","Acta Crystallographica Section E","2012","68","6","o1785","","10.1107/S1600536812021319","","","0.71073","MoKα","","0.0712","0.0552","","","0.126","0.1347","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235227","9.3596","0.0004","10.4702","0.0004","22.7438","0.001","90","","90","","90","","2228.82","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-Phenyl-tert-butanesulfinamide","","- C10 H15 N O S -","- C10 H15 N O S -","- C80 H120 N8 O8 S8 -","8","2","RZ2751","Sun, Xiaofei; Zhang, Xiaoping; Zhang, Binbin; Wang, Wenguo; Zeng, Qingle","(S)-N-Phenyl-tert-butanesulfinamide","Acta Crystallographica Section E","2012","68","6","o1728","","10.1107/S1600536812020673","","","0.7107","MoKα","","0.0988","0.0539","","","0.0774","0.0897","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235228","7.6307","0.0005","9.5168","0.0006","12.4097","0.0008","90","","90","","90","","901.19","0.1","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Azido-1-(4-nitrophenyl)ethanone","","- C8 H6 N4 O3 -","- C8 H6 N4 O3 -","- C32 H24 N16 O12 -","4","1","RZ2752","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2012","68","6","o1952","","10.1107/S1600536812021241","","","0.71073","MoKα","","0.038","0.0318","","","0.0703","0.074","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235229","10.076","0.012","10.08","0.02","10.137","0.012","92.02","0.02","119.727","0.014","94.2","0.02","889","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","Poly[[{μ~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4- thiadiazole)}silver(I)] perchlorate sesquihydrate]","","- C8 H13 Ag Cl N4 O5.5 S4 -","- C8 H13 Ag Cl N4 O5.5 S4 -","- C16 H26 Ag2 Cl2 N8 O11 S8 -","2","1","RZ2753","Li, Jia-Jia; Zhu, Wei-Min","Poly[[{μ~4~-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)] perchlorate sesquihydrate]","Acta Crystallographica Section E","2012","68","6","m845","","10.1107/S1600536812022957","","","0.71073","MoKα","","0.1104","0.0545","","","0.1161","0.143","","","","","","0.998","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2235230","15.714","0.003","29.505","0.006","11.378","0.002","90","","90.54","0.03","90","","5275.1","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato- κ^2^O,O')lutetium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag Lu N14 O10 P4 S4 W -","- C24 H72 Ag Lu N14 O10 P4 S4 W -","- C96 H288 Ag4 Lu4 N56 O40 P16 S16 W4 -","4","1","RZ2754","Zhang, Jinfang","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ^2^O,O')lutetium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2012","68","6","m770","m771","10.1107/S1600536812020983","","","0.71073","MoKα","","0.0474","0.0434","","","0.0868","0.0891","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235231","10.2028","0.0014","10.2744","0.0014","11.4529","0.0016","75.405","0.002","83.48","0.002","61.499","0.002","1021","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~2~-benzene-1,3-dicarboxylato-κ^2^O^1^:O^3^){μ~2~- 1,2-bis[(1H-imidazol-1-yl)methyl]benzene- κ^2^N^3^:N^3'^}zinc]","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C44 H36 N8 O8 Zn2 -","2","1","RZ2755","Chen, Hong; Xu, Heng","Poly[(μ~2~-benzene-1,3-dicarboxylato-κ^2^O^1^:O^3^){μ~2~-1,2-bis[(1H-imidazol-1-yl)methyl]benzene-κ^2^N^3^:N^3'^}zinc]","Acta Crystallographica Section E","2012","68","6","m826","","10.1107/S1600536812022544","","","0.71073","MoKα","","0.0491","0.0444","","","0.1122","0.1145","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235232","7.0699","0.0001","20.4852","0.0003","22.5416","0.0003","90","","90","","90","","3264.66","0.08","100","1","100","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","","- C32 H36 F12 N4 P2 -","- C32 H36 F12 N4 P2 -","- C128 H144 F48 N16 P8 -","4","0.5","RZ2756","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","6","o1868","","10.1107/S160053681202274X","","","0.71073","MoKα","","0.0366","0.0323","","","0.0754","0.0783","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235233","21.196","0.011","21.196","0.011","11.581","0.007","90","","90","","90","","5203","5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1H-benzimidazol-1-yl)acetate-κN^3^]copper(I)}","","- C44 H48 Cu4 I4 N8 O8 -","- C44 H48 Cu4 I4 N8 O8 -","- C176 H192 Cu16 I16 N32 O32 -","4","0.25","RZ2757","Yang, Lili; Zhang, Zhengyi","Tetra-μ~3~-iodido-tetrakis{[ethyl 2-(1H-benzimidazol-1-yl)acetate-κN^3^]copper(I)}","Acta Crystallographica Section E","2012","68","6","m796","","10.1107/S160053681202257X","","","0.71073","MoKα","","0.0331","0.0232","","","0.0498","0.0533","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235234","10.1906","0.0008","15.0591","0.0012","13.7938","0.0008","90","","122.376","0.004","90","","1787.8","0.2","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate","","- C23 H15 Br O3 -","- C23 H15 Br O3 -","- C92 H60 Br4 O12 -","4","1","RZ2758","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N","2-(4-Bromophenyl)-2-oxoethyl anthracene-9-carboxylate","Acta Crystallographica Section E","2012","68","6","o1876","","10.1107/S1600536812022684","","","0.71073","MoKα","","0.0725","0.0452","","","0.1261","0.1406","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235235","10.8635","0.0009","16.6117","0.0013","13.4146","0.0008","90","","118.843","0.005","90","","2120.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-hydroxy-5,10-dimethoxy-2,2-dimethyl-11-(3-methylbut-2-en-1-yl)- 2,3,4,12-tetrahydro-1,7-dioxatetraphen-12-one","3-O-methyl-1-isomangostin","","- C25 H28 O6 -","- C25 H28 O6 -","- C100 H112 O24 -","4","1","RZ2760","Boonnak, Nawong; Chantrapromma, Suchada; Fun, Hoong-Kun","3-O-Methyl-1-isomangostin","Acta Crystallographica Section E","2012","68","6","o1950","o1951","10.1107/S1600536812023409","","","0.71073","MoKα","","0.0646","0.0463","","","0.1197","0.134","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235236","10.2496","0.0009","17.041","0.002","7.4721","0.0006","90","","101.909","0.009","90","","1277","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylphenylsulfonyl)succinamic acid","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","RZ2761","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methylphenylsulfonyl)succinamic acid","Acta Crystallographica Section E","2012","68","6","o1885","","10.1107/S1600536812023276","","","0.71073","MoKα","","0.0616","0.0456","","","0.1013","0.1097","","","","","","1.119","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235237","10.1705","0.0006","20.749","0.0012","12.3584","0.0007","90","","109.241","0.001","90","","2462.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","[μ-Bis(di-o-tolylphosphanyl)methane- 1:2κ^2^P:P']nonacarbonyl- 1κ^3^C,2κ^3^C,3κ^3^C-[tris(2-chloroethyl) phosphite-3κP]-triangulo-triruthenium(0)","","- C44 H42 Cl3 O12 P3 Ru3 -","- C44 H42 Cl3 O12 P3 Ru3 -","- C88 H84 Cl6 O24 P6 Ru6 -","2","1","RZ2762","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(di-o-tolylphosphanyl)methane-1:2κ^2^P:P']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-[tris(2-chloroethyl) phosphite-3κP]-triangulo-triruthenium(0)","Acta Crystallographica Section E","2012","68","6","m838","m839","10.1107/S1600536812023707","","","0.71073","MoKα","","0.0161","0.0159","","","0.0414","0.0415","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235238","15.786","0.003","29.654","0.006","11.369","0.002","90","","90.89","0.03","90","","5321.4","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ^2^O,O')terbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag N14 O10 P4 S4 Tb W -","- C24 H72 Ag N14 O10 P4 S4 Tb W -","- C96 H288 Ag4 N56 O40 P16 S16 Tb4 W4 -","4","1","RZ2763","Zhang, Jinfang","catena-Poly[[tetrakis(hexamethylphosphoramide-κO)bis(nitrato-κ^2^O,O')terbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2012","68","6","m843","m844","10.1107/S1600536812023823","","","0.71073","MoKα","","0.0581","0.0502","","","0.0907","0.0949","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235239","9.7666","0.0002","19.4511","0.0005","8.2979","0.0002","90","","98.541","0.001","90","","1558.88","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5,7-Trimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","SJ5234","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5,7-Trimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","6","o1751","","10.1107/S160053681202020X","","","0.71073","MoKα","","0.0504","0.0423","","","0.1101","0.1157","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235240","7.543","0.0015","7.763","0.0016","10.713","0.002","83.69","0.03","88.78","0.03","67.23","0.03","574.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3,3-Dichloroallyloxy)-4-methyl-2-nitrobenzene","","- C10 H9 Cl2 N O3 -","- C10 H9 Cl2 N O3 -","- C20 H18 Cl4 N2 O6 -","2","1","SJ5235","Ren, Dong-mei","1-(3,3-Dichloroallyloxy)-4-methyl-2-nitrobenzene","Acta Crystallographica Section E","2012","68","6","o1929","","10.1107/S1600536812023057","","","0.71073","MoKα","","0.0633","0.0484","","","0.1441","0.156","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235241","8.004","0.0016","8.7276","0.0017","15.782","0.003","90.06","0.03","101.22","0.03","107.95","0.03","1026.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(N,N-dimethylformamide-κO)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ^2^O,O')phenyl]pyrazol-1- yl-κN^2^}acetato-κO)chloridozincate(II)]","","- C32 H42 Cl2 N6 O16 Zn3 -","- C32 H42 Cl2 N6 O16 Zn3 -","- C32 H42 Cl2 N6 O16 Zn3 -","1","0.5","SU2397","Yang, Jie; Shen, Lei; Ji, Cheng; Shen, Xiao-Feng; Yang, Gao-Weng","Tetraaquabis(N,N-dimethylformamide-κO)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ^2^O,O')phenyl]pyrazol-1-yl-κN^2^}acetato-κO)chloridozincate(II)]","Acta Crystallographica Section E","2012","68","6","m817","","10.1107/S1600536812023045","","","0.71073","MoKα","","0.073","0.0534","","","0.1535","0.1683","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235242","10.7628","0.0004","6.6016","0.0002","14.6376","0.0005","90","","94.224","0.003","90","","1037.2","0.06","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","14,15-Didehydrohellebrigenin","","- C24 H30 O5 -","- C24 H30 O5 -","- C48 H60 O10 -","2","1","SU2412","Yu, Tong; Tian, Hai-Yan; Yuan, Xiao-Feng; Hu, Shu-Zhi; Jiang, Ren-Wang","14,15-Didehydrohellebrigenin","Acta Crystallographica Section E","2012","68","6","o1614","o1615","10.1107/S1600536812018570","","","1.54184","CuKα","","0.0458","0.0415","","","0.1104","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235243","8.439","0.005","10.133","0.008","12.304","0.009","91.858","0.014","94.599","0.017","90.009","0.014","1048.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 3-carboxybenzoate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","2","SU2413","Siddiqui, Tausif; Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Dimethylammonium 3-carboxybenzoate","Acta Crystallographica Section E","2012","68","6","o1778","","10.1107/S160053681202096X","","","0.71073","MoKα","","0.0693","0.049","","","0.1089","0.1247","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235244","8.8652","0.0013","9.8591","0.0008","10.974","0.0017","73.032","0.015","81.036","0.017","64.374","0.013","826.7","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","6-Chloro-2-phenyl-3-(2-phenylethynyl)quinoxaline","","- C22 H13 Cl N2 -","- C22 H13 Cl N2 -","- C44 H26 Cl2 N4 -","2","1","SU2414","Ouyang, Xi-Lin; Ouyang, Miao; Huang, Shi-Wen","6-Chloro-2-phenyl-3-(2-phenylethynyl)quinoxaline","Acta Crystallographica Section E","2012","68","6","o1741","","10.1107/S1600536812020776","","","0.71075","MoKα","","0.0655","0.048","","","0.118","0.1277","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235245","21.407","0.002","21.407","0.002","13.626","0.003","90","","90","","90","","6244.2","1.6","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","cyclo-Tetrakis{μ-N'-[(8-oxidoquinolin-7- yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate","","- C64 H48 N16 O12 Zn4 -","- C64 H48 N16 O12 Zn4 -","- C256 H192 N64 O48 Zn16 -","4","0.25","SU2415","Wu, Xiang-Wen; Li, Qing-Long; Ma, Jian-Ping; Dong, Yu-Bin","cyclo-Tetrakis{μ-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate","Acta Crystallographica Section E","2012","68","6","m727","m728","10.1107/S1600536812018995","","","0.71073","MoKα","","0.0505","0.036","","","0.0802","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235246","17.7","0.014","10.965","0.009","18.37","0.02","90","","90.431","0.006","90","","3565","6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]pyridine- κN}cobalt(II) dinitrate","","- C32 H38 Co N12 O6 -","- C32 H38 Co N12 O6 -","- C128 H152 Co4 N48 O24 -","4","0.5","SU2416","Xiao, Chao-Hu; Song, Xue-Yan; Sun, Zan; Cao, Ping; Pang, Ting","Bis{2-[bis(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]pyridine-κN}cobalt(II) dinitrate","Acta Crystallographica Section E","2012","68","6","m857","","10.1107/S1600536812021435","","","0.71073","MoKα","","0.075","0.0429","","","0.1041","0.1306","","","","","","1.103","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235247","6.783","0.004","6.895","0.004","8.161","0.005","98.34","0.008","95.845","0.009","104.623","0.008","361.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒terephthalic acid (1/1)","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","1","0.5","SU2418","Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","4,4'-Bipyridine‒terephthalic acid (1/1)","Acta Crystallographica Section E","2012","68","6","o1711","","10.1107/S1600536812021113","","","0.71073","MoKα","","0.0625","0.0492","","","0.131","0.1434","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235248","16.9336","0.001","15.9602","0.0012","8.7041","0.0005","90","","90","","90","","2352.4","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H16 Cu I4 N2 O2 -","- C19 H16 Cu I4 N2 O2 -","- C76 H64 Cu4 I16 N8 O8 -","4","0.5","SU2420","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","6","m752","","10.1107/S1600536812020387","","","0.71073","MoKα","","0.0417","0.0263","","","0.0521","0.0589","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235249","16.1125","0.0011","15.4789","0.0012","8.4734","0.0005","90","","90","","90","","2113.3","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 Br4 N2 Ni O2 -","- C19 H16 Br4 N2 Ni O2 -","- C76 H64 Br16 N8 Ni4 O8 -","4","0.5","SU2421","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","6","m753","","10.1107/S1600536812020375","","","0.71073","MoKα","","0.0544","0.0328","","","0.0677","0.0753","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235250","6.8472","0.0017","4.8269","0.0016","21.414","0.003","90","","96.696","0.002","90","","702.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxy-N'-(3-nitrobenzylidene)benzohydrazide","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SU2422","Hou, Jin-Long; Bi, Ye","4-Methoxy-N'-(3-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1725","","10.1107/S1600536812020454","","","0.71073","MoKα","","0.0404","0.0343","","","0.0806","0.0849","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235251","5.377","0.0011","12.598","0.003","15.601","0.003","90","","90","","90","","1056.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C40 H36 F8 N12 O4 -","4","1","SU2423","Kesternich, Victor; Nelson-González, Ronald; Pérez-Fehrmann, Marcia; Cárdenas, Alejandro; Brito, Iván","1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","6","o1727","","10.1107/S1600536812020661","","","0.71073","MoKα","","0.0728","0.0629","","","0.1427","0.1486","","","","","","1.159","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235252","11.3153","0.0004","12.1183","0.0005","17.13","0.0006","76.251","0.003","79.747","0.003","88.913","0.003","2244.5","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-2-[(5-methoxy-1H-indol-1-yl)carbonyl]-1H-indole","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C114 H96 N12 O18 -","6","3","SU2424","Attia, Mohamed I.; El-Brollosy, Nasser R.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Methoxy-2-[(5-methoxy-1H-indol-1-yl)carbonyl]-1H-indole","Acta Crystallographica Section E","2012","68","6","o1775","","10.1107/S1600536812020399","","","1.54184","CuKα","","0.0527","0.0426","","","0.112","0.121","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235253","4.7924","0.0006","13.7083","0.0019","11.8293","0.0015","90","","101.538","0.012","90","","761.43","0.17","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine- 3,5(2H,4H)-dione","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C34 H38 N6 O6 -","2","1","SU2425","El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(Cyclohex-3-en-1-ylmethoxy)methyl]-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione","Acta Crystallographica Section E","2012","68","6","o1776","o1777","10.1107/S1600536812021198","","","0.71073","MoKα","","0.112","0.0612","","","0.1058","0.1328","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235254","8.785","0.003","9.122","0.003","11.425","0.004","66.61","0.02","87.66","0.02","69.38","0.02","781.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ^6^,2- benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C34 H32 N4 O8 S2 -","2","1","SU2428","Aman, Farhana; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Siddiqui, Hamid Latif; Parvez, Masood","N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ^6^,2-benzothiazine-3-carboxamide","Acta Crystallographica Section E","2012","68","6","o1921","","10.1107/S1600536812022805","","","0.71073","MoKα","","0.0552","0.0463","","","0.1072","0.1134","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235255","11.757","0.0004","12.2477","0.0004","10.2954","0.0003","90","","106.532","0.001","90","","1421.21","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride","","- C13 H17 Cl N2 O S -","- C13 H17 Cl N2 O S -","- C52 H68 Cl4 N8 O4 S4 -","4","1","SU2431","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Khalilov, Ali N.","2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride","Acta Crystallographica Section E","2012","68","6","o1881","o1882","10.1107/S1600536812023197","","","0.71073","MoKα","","0.0415","0.0322","","","0.0785","0.0839","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235256","14.908","0.0019","15.3961","0.0019","11.1501","0.0014","90","","93.657","0.002","90","","2554","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate","","- C11 H16 Br N3 O2 -","- C11 H16 Br N3 O2 -","- C88 H128 Br8 N24 O16 -","8","1","SU2432","Yang, Yan-Yun; Xu, Liang; Kang, Ting-Guo; Chen, Ting; Wu, Ping","1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate","Acta Crystallographica Section E","2012","68","6","o1964","","10.1107/S1600536812023550","","","0.71073","MoKα","","0.0737","0.0393","","","0.0954","0.108","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235257","9.7452","0.0002","9.9905","0.0002","17.3968","0.0003","90","","99.87","0.001","90","","1668.67","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide","","- C14 H13 Cl N2 O5 S2 -","- C14 H13 Cl N2 O5 S2 -","- C56 H52 Cl4 N8 O20 S8 -","4","1","SU2434","Khan, Islam Ullah; Ejaz; Farid, Sidra; Harrison, William T. A.","N-[4-(4-Chlorobenzenesulfonamido)phenylsulfonyl]acetamide","Acta Crystallographica Section E","2012","68","6","o1913","","10.1107/S1600536812023434","","","0.71073","MoKα","","0.0484","0.0338","","","0.083","0.0917","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235258","9.4388","0.0004","6.5476","0.0003","32.1483","0.0018","90","","91.288","0.004","90","","1986.31","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol- 4-yl]-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C20 H19 F N6 S -","- C20 H19 F N6 S -","- C80 H76 F4 N24 S4 -","4","1","SU2439","Abdel-Wahab, Bakr F.; Abdel-Latif, Ehab; Ng, Seik Weng; Tiekink, Edward R. T.","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-4,5-dihydro-1H-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","6","o1954","o1955","10.1107/S1600536812024245","","","0.71073","MoKα","","0.0565","0.0433","","","0.1011","0.1092","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235259","11.3476","0.0007","14.0549","0.0008","15.954","0.007","90","","90","","90","","2544.5","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro- 1H-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole","","- C28 H22 Br F N6 S -","- C28 H22 Br F N6 S -","- C112 H88 Br4 F4 N24 S4 -","4","1","SU2440","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole","Acta Crystallographica Section E","2012","68","6","o1956","o1957","10.1107/S1600536812024257","","","0.71073","MoKα","","0.0429","0.0351","","","0.0737","0.0773","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235260","19.8172","0.0014","4.7217","0.0001","12.3106","0.0002","90","","104.005","0.007","90","","1117.67","0.09","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((E)-{[4-(Hydroxymethyl)phenyl]imino}methyl)phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","TK5090","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Akkurt, Mehmet; Fanwick, Phillip E.; Maharramov, A. M.","2-((E)-{[4-(Hydroxymethyl)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2012","68","6","o1618","","10.1107/S1600536812019368","","","1.54178","CuKα","","0.0424","0.0369","","","0.1003","0.1073","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235261","14.5906","0.0019","12.772","0.0017","16.441","0.002","90","","103.114","0.002","90","","2983.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium picrate","Cinnarizinium picrate","","- C32 H31 N5 O7 -","- C32 H31 N5 O7 -","- C128 H124 N20 O28 -","4","1","TK5091","Song, Yanxi; Chidan Kumar, C. S.; Nethravathi, G. B.; Naveen, S.; Li, Hongqi","Cinnarizinium picrate","Acta Crystallographica Section E","2012","68","6","o1747","","10.1107/S1600536812020764","","","0.71073","MoKα","","0.0897","0.0509","","","0.1221","0.1431","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235262","6.4594","0.0013","4.5998","0.0013","20.598","0.005","90","","95.08","0.04","90","","609.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Amino-N'-(2-nitrobenzylidene)benzohydrazide","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C28 H24 N8 O6 -","2","1","TK5092","Shi, Zhong-Feng; Li, Jia-Ming","(E)-4-Amino-N'-(2-nitrobenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1726","","10.1107/S1600536812020855","","","0.71073","MoKα","","0.0471","0.0448","","","0.1092","0.1112","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235263","5.3769","0.0011","10.105","0.002","12.32","0.003","70.85","0.03","82.89","0.03","84.87","0.03","626.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Nitro-2-phenylchroman","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","TK5093","Zhao, Pei-Hua; Hao, Er-Jun; Liu, Ya-Qing; Zhao, Gui-Zhe","3-Nitro-2-phenylchroman","Acta Crystallographica Section E","2012","68","6","o1742","","10.1107/S1600536812020806","","","0.71073","MoKα","","0.1152","0.0554","","","0.1257","0.1516","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235264","11.006","0.003","16.699","0.004","9.659","0.002","90","","93.009","0.003","90","","1772.8","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethyl- N-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide","","- C16 H14 Cl F6 N O -","- C16 H14 Cl F6 N O -","- C64 H56 Cl4 F24 N4 O4 -","4","1","TK5094","Rao, Guo-Wu; Li, Xiao-Min; Sun, Na-Bo","3-(2-Chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]cyclopropanecarboxamide","Acta Crystallographica Section E","2012","68","6","o1743","","10.1107/S1600536812020922","","","0.71073","MoKα","","0.0844","0.0635","","","0.1596","0.1753","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235265","7.5628","0.0007","8.6274","0.0008","15.532","0.002","97.348","0.002","93.363","0.004","102.41","0.007","977.72","0.18","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6- chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}","","- C26 H42 Cl2 N10 Na2 O16 S2 -","- C26 H42 Cl2 N10 Na2 O16 S2 -","- C26 H42 Cl2 N10 Na2 O16 S2 -","1","0.5","TK5096","Zhang, Mei; Sun, Fu-Yu; Zhao, Gui-Zhe; Liu, Ya-Qing","Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}","Acta Crystallographica Section E","2012","68","6","m847","m848","10.1107/S1600536812023732","","","0.71073","MoKα","","0.0971","0.062","","","0.1153","0.1307","","","","","","0.873","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235266","10.8944","0.0002","17.217","0.0004","15.6759","0.0002","90","","102.834","0.001","90","","2866.86","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(2-tert-Butoxy-2-oxoethoxy)naphthalen-1-yl]diphenylsulfonium trifluoromethanesulfonate","","- C29 H27 F3 O6 S2 -","- C29 H27 F3 O6 S2 -","- C116 H108 F12 O24 S8 -","4","1","TK5097","Kang, Sung Kwon; Jang, Siyoung","[4-(2-tert-Butoxy-2-oxoethoxy)naphthalen-1-yl]diphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","6","o1822","","10.1107/S1600536812022167","","","0.71073","MoKα","","0.0952","0.0606","","","","0.2137","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235267","11.6354","0.0004","6.3798","0.0002","14.4513","0.0005","90","","92.767","0.003","90","","1071.49","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-7,8,9,10-tetrahydrocyclohepta[b]indol-6(5H)-one","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","TK5099","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.; Gupta, Sushil K.; Öztürk Yildirim, Sema","2-Chloro-7,8,9,10-tetrahydrocyclohepta[b]indol-6(5H)-one","Acta Crystallographica Section E","2012","68","6","o1887","","10.1107/S1600536812022945","","","0.71073","MoKα","","0.0532","0.0392","","","0.0876","0.0957","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235268","7.5151","0.0007","19.6463","0.0017","16.2578","0.0015","90","","99.898","0.002","90","","2364.6","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-{[1-(3-ethoxy-2-hydroxybenzyl)-1H-benzimidazol- 2-yl]methyl}phenol nitromethane monosolvate","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","TK5103","Ha, Kwang","2-Ethoxy-6-{[1-(3-ethoxy-2-hydroxybenzyl)-1H-benzimidazol-2-yl]methyl}phenol nitromethane monosolvate","Acta Crystallographica Section E","2012","68","6","o1914","","10.1107/S1600536812023665","","","0.71073","MoKα","","0.1729","0.0638","","","0.1159","0.1565","","","","","","0.95","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235269","16.1835","0.0007","11.6719","0.0004","16.7332","0.0006","90","","112.127","0.003","90","","2928","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium- 4-yl)propylamino]quinazolin-1-ium bis(perchlorate)","","- C22 H27 Cl3 N6 O9 -","- C22 H27 Cl3 N6 O9 -","- C88 H108 Cl12 N24 O36 -","4","1","VM2162","Jiang, Nan; Zuo, Jian; Zhu, Wenmin; Zhao, Xinjie; Zhai, Xin","(E)-2-[2-(4-Chlorobenzylidene)hydrazinyl]-4-[3-(morpholin-4-ium-4-yl)propylamino]quinazolin-1-ium bis(perchlorate)","Acta Crystallographica Section E","2012","68","6","o1819","","10.1107/S1600536812021678","","","0.71073","MoKα","","0.1327","0.0701","","","0.1867","0.2151","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235270","38.68","0.02","12.3","0.007","9.975","0.005","90","","101.263","0.007","90","","4654","4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C204 H288 N24 O12 -","12","3","VM2165","Lv, Diya; Cao, Yan; Dong, Xin; Lou, Ziyang; Chai, Yifeng","4-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)benzamide","Acta Crystallographica Section E","2012","68","6","o1781","","10.1107/S1600536812017795","","","0.71073","MoKα","","0.0841","0.0508","","","0.1235","0.1505","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235271","6.7162","0.0001","13.6796","0.0002","25.9859","0.0005","90","","90","","90","","2387.45","0.07","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","brusatol","brusatol","","- C26 H32 O11 -","- C26 H32 O11 -","- C104 H128 O44 -","4","1","VM2168","Hu, Shu-Zhi; Jin, Lu; Yu, Tong; Tian, Hai-Yan; Jiang, Ren-Wang","Brusatol","Acta Crystallographica Section E","2012","68","6","o1592","o1593","10.1107/S1600536812018582","","","1.54184","CuKα","","0.0348","0.0323","","","0.0827","0.0847","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235272","12.476","0.003","12.775","0.003","7.223","0.0014","90","","92.32","0.03","90","","1150.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-4-(3,3-dichloroallyloxy)-1-nitrobenzene","","- C9 H6 Cl3 N O3 -","- C9 H6 Cl3 N O3 -","- C36 H24 Cl12 N4 O12 -","4","1","VM2169","Yu, Xiao-feng; Xia, Zheng-jun; Li, Chun-ya","2-Chloro-4-(3,3-dichloroallyloxy)-1-nitrobenzene","Acta Crystallographica Section E","2012","68","6","o1598","","10.1107/S160053681201865X","","","0.71073","MoKα","","0.102","0.0659","","","0.1587","0.1833","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235273","11.788","0.004","17.045","0.006","7.229","0.002","90","","106.42","0.007","90","","1393.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-tert-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","VM2170","Cai, Hong-Xin; Zhang, Zhao-Po","2-tert-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","6","o1697","","10.1107/S1600536812020120","","","0.71073","MoKα","","0.122","0.0705","","","0.2057","0.25","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235274","9.5239","0.0003","10.4564","0.0004","10.812","0.0004","66.87","0.001","72.208","0.001","72.908","0.001","924.04","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H- pyrazol-5(4H)-one","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","VM2173","Saida, Keraghel; Fatiha, Benghanem; Ouarda, Dehbi; Ali, Ourari; Kamel, Ouari; Brelot, Lydia","4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1909","o1910","10.1107/S1600536812023082","","","0.71073","MoKα","","0.0502","0.0375","","","0.0907","0.0964","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235275","11.276","0.002","11.776","0.002","14.189","0.003","73.01","0.03","88.42","0.02","85.57","0.03","1796.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","","- C19 H22 Cl N O -","- C19 H22 Cl N O -","- C76 H88 Cl4 N4 O4 -","4","2","VM2174","Balamurugan, P.; Kanmani Raja, K.; Easwaramoorthy, D.; Chakkaravarthi, G.; Rajagopal, G.","4-Chloro-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1721","","10.1107/S1600536812020612","","","0.71073","MoKα","","0.0869","0.049","","","0.1253","0.1528","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235276","8.1336","0.0003","13.6111","0.0005","14.6102","0.0005","90","","90.55","0.001","90","","1617.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{N'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide- κ^2^N',O}cadmium","","- C13 H12 Br2 Cd N4 O -","- C13 H12 Br2 Cd N4 O -","- C52 H48 Br8 Cd4 N16 O4 -","4","1","VM2176","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Yazdi, Seyed Abolfazl Hosseini; Afkhami, Farhad Akbari","Dibromido{N'-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ^2^N',O}cadmium","Acta Crystallographica Section E","2012","68","6","m842","","10.1107/S1600536812023185","","","0.71073","MoKα","","0.0486","0.0278","","","0.0569","0.0623","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235277","16.86","0.003","16.63","0.003","16.22","0.003","90","","105.41","0.03","90","","4384.3","1.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^O,N^3^]cadmium","","- C14 H20 Cd Cl2 N4 O4 S2 -","- C14 H20 Cd Cl2 N4 O4 S2 -","- C112 H160 Cd8 Cl16 N32 O32 S16 -","8","2","VN2035","Zhang, Lai-Jun; Chen, Fa-Yun; Liu, Guang-Yi; Chen, Xiao; Chen, Zhi-Feng","Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ^2^O,N^3^]cadmium","Acta Crystallographica Section E","2012","68","6","m788","m789","10.1107/S1600536812021976","","","0.71073","MoKα","","0.0239","0.0215","","","0.0473","0.0483","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235278","12.7034","0.0004","11.3939","0.0004","15.8258","0.0005","90","","90","","90","","2290.65","0.13","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[aqualithium(I)]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5λ^4^- borataspiro[4.4]nonane-2,7-dione]","","- C8 H14 B Li O7 -","- C8 H14 B Li O7 -","- C64 H112 B8 Li8 O56 -","8","1","VN2036","Allen, Joshua L.; Paillard, Elie; Boyle, Paul D.; Henderson, Wesley A.","Lithium bis(2-methyllactato)borate monohydrate","Acta Crystallographica Section E","2012","68","6","m749","","10.1107/S1600536812017540","","","0.71073","MoKα","","0.0521","0.0357","","","0.0903","0.098","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235279","6.699","0.0008","10.3103","0.001","13.0979","0.0013","89.039","0.007","89.004","0.007","82.062","0.007","895.76","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-1,3-benzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmate hexahydrate","","- C30 H42 Cd N4 O16 S2 -","- C30 H42 Cd N4 O16 S2 -","- C30 H42 Cd N4 O16 S2 -","1","0.5","VN2038","Zhang, Fan; Lin, Qiu-Yue; Chen, Ling-Ling; Ke, Jun-Gang","Bis(2-amino-1,3-benzothiazol-3-ium) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmate hexahydrate","Acta Crystallographica Section E","2012","68","6","m818","","10.1107/S1600536812022593","","","0.71073","MoKα","","","0.0292","","","0.0674","0.0699","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235280","8.0412","0.0016","8.7303","0.0017","11.598","0.002","105.12","0.03","90.2","0.03","109.71","0.03","736.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(nitrato-κO)cadmium]bis[μ-1,3-bis[(1H- 1,2,4-triazol-1-yl)methyl]benzene-κ^2^N^4^:N^4'^]]","","- C24 H24 Cd N14 O6 -","- C24 H24 Cd N14 O6 -","- C24 H24 Cd N14 O6 -","1","0.5","VN2040","Zhang, Hong-Kun; Wang, Xin; Wang, Shuai; Wang, Xiao-Dan","catena-Poly[[bis(nitrato-κO)cadmium]bis[μ-1,3-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene-κ^2^N^4^:N^4'^]]","Acta Crystallographica Section E","2012","68","6","m856","","10.1107/S1600536812023288","","","0.71073","MoKα","","0.0317","0.0304","","","0.0791","0.0796","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235281","10.301","0.003","15.461","0.004","23.384","0.006","90","","90","","90","","3724.2","1.7","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","heptasodium tridecamagnesium neodymium dodecakisphosphate","","- Mg13 Na7 Nd O48 P12 -","- Mg13 Na7 Nd O48 P12 -","- Mg52 Na28 Nd4 O192 P48 -","4","0.5","WM2593","Jerbi, Hasna; Hidouri, Mourad; Mongi, Ben Amara","Na~7~Mg~13~Nd(PO~4~)~12~","Acta Crystallographica Section E","2012","68","6","i44","","10.1107/S1600536812017850","","","0.71069","MoKα","","0.1149","0.0568","","","0.0883","0.1074","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235282","6.841","0.003","27.069","0.009","7.231","0.003","90","","109.413","0.005","90","","1262.9","0.9","270.1","","270","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","calcium tetrathiodigallate(III)","","- Ca Ga2 S4 -","- Ca Ga2 S4 -","- Ca8 Ga16 S32 -","8","2","WM2605","Suzuki, Akihiro; Takizawa, Takeo; Hidaka, Chiharu; Shigetaka, Nomura; Kitajima, Ittetsu","A novel monoclinic phase of impurity-doped CaGa~2~S~4~ as a phosphor with high emission intensity","Acta Crystallographica Section E","2012","68","6","i42","","10.1107/S1600536812019113","","","0.71075","MoKα","","","0.0379","","","","0.0497","","","","","","1.205","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235283","6.747","0.0007","12.982","0.0009","11.297","0.0008","90","","98.85","0.03","90","","977.72","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","silver(I) manganese(II) trisorthoarsenate(V)","","- Ag1.09 As3 Mn3.46 O12 -","- Ag1.0895 As3 Mn3.458 O12 -","- Ag4.358 As12 Mn13.832 O48 -","4","1","WM2611","Frigui, Wafa; Zid, Mohamed Faouzi; Driss, Ahmed","Wyllieite-type Ag~1.09~Mn~3.46~(AsO~4~)~3~","Acta Crystallographica Section E","2012","68","6","i40","i41","10.1107/S1600536812018843","","","0.71073","MoKα","","0.0471","0.0323","","","0.0915","0.098","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235284","15.1617","0.0016","9.981","0.0011","7.8022","0.0008","90","","90","","90","","1180.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","","- C9 H12 Cd Cl2 N4 -","- C9 H12 Cd Cl2 N4 -","- C36 H48 Cd4 Cl8 N16 -","4","1","WM2624","Shen, Qiao-Lian; Lin, Hong","catena-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","6","m776","","10.1107/S1600536812021083","","","0.71073","MoKα","","","0.0134","","","0.036","0.0365","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235285","8.3562","0.0017","10.236","0.002","17.972","0.004","90","","98.8","0.03","90","","1519.1","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diaquabis{1-[(1H-benzimidazol-2-yl)methyl]-1H-imidazole- κN^3^}dichloridocadmium hexahydrate","","- C22 H36 Cd Cl2 N8 O8 -","- C22 H36 Cd Cl2 N8 O8 -","- C44 H72 Cd2 Cl4 N16 O16 -","2","0.5","WM2627","Xie, Xin-Nian; Lu, Meng; Yuan, Juan; Yang, Huai-Xia","Diaquabis{1-[(1H-benzimidazol-2-yl)methyl]-1H-imidazole-κN^3^}dichloridocadmium hexahydrate","Acta Crystallographica Section E","2012","68","6","m754","","10.1107/S160053681202034X","","","0.71073","MoKα","","0.0531","0.0474","","","0.1186","0.1234","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235286","7.8444","0.0003","10.0033","0.0003","9.0371","0.0004","90","","114.838","0.005","90","","643.54","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium [iron(II)/magnesium] iron(III) bis(orthophosphate)","","- Fe1.91 K Mg0.09 O8 P2 -","- Fe1.912 K Mg0.088 O8 P2 -","- Fe7.648 K4 Mg0.352 O32 P8 -","4","1","WM2629","Yatskin, Michael M.; Zatovsky, Igor V.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","KMg~0.09~Fe~1.91~(PO~4~)~2~","Acta Crystallographica Section E","2012","68","6","i51","","10.1107/S1600536812023975","","","0.71073","MoKα","","0.043","0.0415","","","","0.1172","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235287","7.9098","0.0004","8.0028","0.0004","8.0864","0.0005","88.62","0.002","71.27","0.002","72.03","0.002","459.52","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~5~-pyridine-3,5-dicarboxylato)strontium]","","- C7 H7 N O6 Sr -","- C7 H7 N O6 Sr -","- C14 H14 N2 O12 Sr2 -","2","1","WM2630","Li, Dan; Duan, Chaowen","Poly[diaqua(μ~5~-pyridine-3,5-dicarboxylato)strontium]","Acta Crystallographica Section E","2012","68","6","m835","","10.1107/S1600536812023379","","","0.71073","MoKα","","0.0183","0.0172","","","0.046","0.0464","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235288","11.0398","0.0005","11.0398","0.0005","24.195","0.001","90","","90","","120","","2553.75","0.19","298","2","298","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","dimagnesium pentaeicosaboride","","- B25 Mg2 -","- B24.9975 Mg2.00235 -","- B299.97 Mg24.0282 -","12","0.333333","WM2631","Bindi, Luca; Figini Albisetti, Alessandro; Giunchi, Giovanni; Malpezzi, Luciana; Masciocchi, Norberto","Redetermination of Mg~2~B~25~ based on single-crystal X-ray data","Acta Crystallographica Section E","2012","68","6","i50","","10.1107/S1600536812023768","","","0.71073","MoKα","","0.022","0.0214","","","0.0485","0.0485","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235289","7.434","0.003","10.554","0.004","13.537","0.005","90","","103.118","0.005","90","","1034.4","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","17βH-periplogenin","4-[(3S,5S,8R,9S,10R,13R,14S,17S)-3,5,14-trihydroxy-10,13-dimethyl-hexadecahydro-1H- cyclopenta[a]phenanthren-17-yl]furan-2(5H)-one","","- C23 H34 O5 -","- C23 H34 O5 -","- C46 H68 O10 -","2","1","WN2470","Zhang, Yu-Wei; Bao, Yong-Li; Wu, Yin; Yu, Chun-Lei; Li, Yu-Xin","17βH-Periplogenin, a cardiac aglycone from the root bark of Periploca sepium Bunge","Acta Crystallographica Section E","2012","68","6","o1582","o1583","10.1107/S1600536812018521","","","0.71073","MoKα","","0.1187","0.0526","","","0.1016","0.1259","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235290","14.177","0.002","10.4002","0.0018","21.347","0.004","90","","100.621","0.002","90","","3093.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)(2-hydroxy-5-oxocyclopent-1-en-1-yl)methyl]- 3-hydroxycyclopent-2-en-1-one","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","2","WN2471","Li, Gongzhen; Cai, Peijun; Huo, Junhao; Shi, Chong","2-[(4-Chlorophenyl)(2-hydroxy-5-oxocyclopent-1-en-1-yl)methyl]-3-hydroxycyclopent-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1667","","10.1107/S1600536812018715","","","0.71073","MoKα","","0.0437","0.037","","","0.0986","0.1053","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235291","13.7023","0.0004","15.9082","0.0004","7.5511","0.0002","90","","103.358","0.001","90","","1601.45","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C68 H76 N4 O8 S8 -","4","1","WN2472","Mahabaleshwaraiah, N. M.; Kumar, K. Mahesh; Kotresh, O.; Al-eryani, Waleed Fadl Ali; Devarajegowda, H. C.","(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","6","o1584","","10.1107/S1600536812018004","","","0.71073","MoKα","","0.0415","0.035","","","0.0952","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235292","5.1446","0.0012","8.4165","0.0019","9.953","0.002","76.656","0.004","88.177","0.004","85.715","0.004","418.11","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,2',2'',2'''-(1,4-Phenylenedinitrilo)tetraacetic acid dihydrate","","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","- C14 H20 N2 O10 -","1","0.5","WN2473","Yan, Juanzhi; Ma, Ling; Zhu, Miaoli; Zhang, Xiangdong; Ge, Chunhua","2,2',2'',2'''-(1,4-Phenylenedinitrilo)tetraacetic acid dihydrate","Acta Crystallographica Section E","2012","68","6","o1623","","10.1107/S1600536812019095","","","0.71073","MoKα","","0.0594","0.046","","","0.1097","0.1194","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235293","7.857","0.0002","23.7745","0.0005","9.7684","0.0002","90","","109.483","0.001","90","","1720.22","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate","","- C17 H21 N O2 S2 -","- C17 H21 N O2 S2 -","- C68 H84 N4 O8 S8 -","4","1","WN2474","Kumar, K. Mahesh; Devarajegowda, H. C.; Jeyaseelan, S.; Mahabaleshwaraiah, N. M.; Kotresh, O.","(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate","Acta Crystallographica Section E","2012","68","6","o1657","","10.1107/S1600536812019757","","","0.71073","MoKα","","0.0539","0.0505","","","0.1327","0.1347","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235294","15.404","0.004","9.483","0.002","11.858","0.003","90","","103.464","0.004","90","","1684.6","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-{[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2- dimethylcyclopropan-1-yl]carbonyl}-3-(methylsulfonyl)imidazolidin-2-one","","- C13 H16 Cl F3 N2 O4 S -","- C13 H16 Cl F3 N2 O4 S -","- C52 H64 Cl4 F12 N8 O16 S4 -","4","1","WN2475","Sun, Na-Bo; Rao, Guo-Wu; Chu, Jian-Bo","1-{[3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropan-1-yl]carbonyl}-3-(methylsulfonyl)imidazolidin-2-one","Acta Crystallographica Section E","2012","68","6","o1744","","10.1107/S1600536812021216","","","0.71073","MoKα","","0.0698","0.0616","","","0.1684","0.1749","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235295","17.3005","0.0016","10.0084","0.0007","13.699","0.0012","90","","112.641","0.011","90","","2189.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(benzylaminium) 4,5-dichlorophthalate monohydrate","Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","","- C22 H24 Cl2 N2 O5 -","- C22 H24 Cl2 N2 O5 -","- C88 H96 Cl8 N8 O20 -","4","1","WN2476","Smith, Graham; Wermuth, Urs D.","Bis(benzylaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate","Acta Crystallographica Section E","2012","68","6","o1928","","10.1107/S1600536812023458","","","0.71073","MoKα","","0.0869","0.068","","","0.1808","0.1889","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235296","9.2485","0.0018","10.029","0.002","14.754","0.003","79.4","0.03","75.79","0.03","67.74","0.03","1221.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(2-trifluoromethyl-1H-benzimidazol-3-ium) tetrachloridomercurate dihydrate","","- C16 H16 Cl4 F6 Hg N4 O2 -","- C16 H16 Cl4 F6 Hg N4 O2 -","- C32 H32 Cl8 F12 Hg2 N8 O4 -","2","1","XU5519","Liu, Ming-Liang","Bis(2-trifluoromethyl-1H-benzimidazol-3-ium) tetrachloridomercurate dihydrate","Acta Crystallographica Section E","2012","68","6","m716","","10.1107/S1600536812018855","","","0.71073","MoKα","","0.0809","0.0529","","","0.1054","0.1186","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235297","5.802","0.003","11.341","0.006","17.613","0.008","90","","99.793","0.018","90","","1142.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ-Naphthalene-1,5-disulfonato- κ^2^O^1^:O^5^)bis[triaqua(glycinato- κ^2^N,O)copper(II)]","","- C14 H26 Cu2 N2 O16 S2 -","- C14 H26 Cu2 N2 O16 S2 -","- C28 H52 Cu4 N4 O32 S4 -","2","0.5","XU5523","Gao, Shan; Ng, Seik Weng","(μ-Naphthalene-1,5-disulfonato-κ^2^O^1^:O^5^)bis[triaqua(glycinato-κ^2^N,O)copper(II)]","Acta Crystallographica Section E","2012","68","6","m730","","10.1107/S1600536812019332","","","0.71073","MoKα","","0.0272","0.0258","","","0.0721","0.0729","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235298","6.6166","0.0002","7.6552","0.0003","8.3495","0.0005","63.957","0.005","69.83","0.002","74.367","0.004","353.16","0.03","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanopyridinium chloride","","- C6 H5 Cl N2 -","- C6 H5 Cl N2 -","- C12 H10 Cl2 N4 -","2","1","XU5524","Zheng, Wen-Ni","4-Cyanopyridinium chloride","Acta Crystallographica Section E","2012","68","6","o1611","","10.1107/S1600536812018648","","","0.71073","MoKα","","0.0942","0.0856","","","0.2316","0.2344","","","","","","1.321","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235299","10.149","0.002","14.802","0.003","20.405","0.004","90","","90","","90","","3065.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(3,5-di-tert-butyl-4H-1,2,4-triazol-4-amine- κN^1^)(nitrato-κO)silver(I) ethanol monosolvate monohydrate","","- C22 H48 Ag N9 O5 -","- C22 H48 Ag N9 O5 -","- C88 H192 Ag4 N36 O20 -","4","1","XU5525","Liu, Ya-Mei; Chen, Jing-Huo; Yang, Guang; Ng, Seik Weng","Bis(3,5-di-tert-butyl-4H-1,2,4-triazol-4-amine-κN^1^)(nitrato-κO)silver(I) ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","6","m731","","10.1107/S1600536812019058","","","0.71073","MoKα","","0.0682","0.0536","","","0.0851","0.0908","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235300","6.0686","0.0002","18.6887","0.0005","14.9734","0.0004","90","","91.559","0.001","90","","1697.57","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(4-Chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl](thiophen- 2-yl)methanone","","- C20 H13 Cl N2 O2 S -","- C20 H13 Cl N2 O2 S -","- C80 H52 Cl4 N8 O8 S4 -","4","1","XU5526","Deng, Gui-Ming; Zhang, He-Ming; Ou-Yang, Lin-Qi; Tong, Qiao-Zhen; Li, Shan","[1-(4-Chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2012","68","6","o1639","","10.1107/S1600536812019253","","","0.71073","MoKα","","0.0338","0.0309","","","0.0865","0.0884","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235301","14.9484","0.0002","9.9173","0.0001","17.5713","0.0003","90","","111.119","0.001","90","","2429.95","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'- [6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C30 H32 N4 O2 -","- C30 H32 N4 O2 -","- C120 H128 N16 O8 -","4","0.5","XU5527","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","1,1''-Bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1637","","10.1107/S1600536812019216","","","0.71073","MoKα","","0.0447","0.0395","","","0.1127","0.1186","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235302","14.1658","0.0003","9.7203","0.0002","20.6677","0.0003","90","","100.037","0.001","90","","2802.3","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5''-Dibromo-1,1''-bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole- 3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","","- C30 H30 Br2 N4 O2 -","- C30 H30 Br2 N4 O2 -","- C120 H120 Br8 N16 O8 -","4","1","XU5528","Al Mamari, Khalil; Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng","5,5''-Dibromo-1,1''-bis(prop-2-en-1-yl)-1,1'',2,2''-tetrahydrodispiro[indole-3,7'-[6,9]diazatricyclo[7.3.0.0^2,6^]dodecane-8',3''-indole]-2,2''-dione","Acta Crystallographica Section E","2012","68","6","o1638","","10.1107/S1600536812019228","","","0.71073","MoKα","","0.0856","0.04","","","0.094","0.1131","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235303","11.201","0.005","12.387","0.007","16.718","0.007","90","","93.18","0.04","90","","2316","1.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido- dicopper(II) trihydrate","","- C14 H26 Cl2 Cu2 N4 O5 -","- C14 H26 Cl2 Cu2 N4 O5 -","- C56 H104 Cl8 Cu8 N16 O20 -","4","1","XU5529","Zhou, Jing-Jing; Xiao, Wei; Mao, Jia-Wei; Zhou, Hong","Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido-dicopper(II) trihydrate","Acta Crystallographica Section E","2012","68","6","m794","m795","10.1107/S160053681202301X","","","0.71073","MoKα","","0.0754","0.0607","","","0.1686","0.1745","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235304","7.1932","0.0002","17.8616","0.0004","19.1963","0.0005","90","","95.156","0.003","90","","2456.4","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^N,O)stannate(IV)","","- C23 H20 Cl4 N2 O4 Sn -","- C23 H20 Cl4 N2 O4 Sn -","- C92 H80 Cl16 N8 O16 Sn4 -","4","1","XU5530","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^N,O)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m732","","10.1107/S1600536812019496","","","0.71073","MoKα","","0.0347","0.0265","","","0.0572","0.0622","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235305","8.9431","0.0003","11.5892","0.0004","20.1795","0.0008","90","","101.347","0.004","90","","2050.59","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^N,O)stannate(IV)","","- C19 H16 Cl4 N2 O2 Sn -","- C19 H16 Cl4 N2 O2 Sn -","- C76 H64 Cl16 N8 O8 Sn4 -","4","1","XU5531","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^N,O)stannate(IV)","Acta Crystallographica Section E","2012","68","6","m738","","10.1107/S1600536812019459","","","0.71073","MoKα","","0.031","0.0249","","","0.0526","0.0553","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235306","7.0509","0.0014","19.12","0.004","13.443","0.003","90","","95.2","0.03","90","","1804.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Methyl-4-nitroanilinium chloride","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","2","XU5532","Wang, Jian-Long; Zhou, Fu-Rong; Wei, Fei-Yun","N-Methyl-4-nitroanilinium chloride","Acta Crystallographica Section E","2012","68","6","o1973","","10.1107/S1600536812024117","","","0.71073","MoKα","","0.0661","0.0456","","","0.1105","0.1237","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235307","8.3426","0.0017","19.896","0.004","7.067","0.0014","90","","90.14","0.03","90","","1173","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-methylanilinium) naphthalene-1,5-disulfonate","","- C24 H26 N2 O6 S2 -","- C24 H26 N2 O6 S2 -","- C48 H52 N4 O12 S4 -","2","0.5","XU5533","Liu, Ming-Liang; Chen, Zi-Qi","Bis(3-methylanilinium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","6","o1745","","10.1107/S1600536812021290","","","0.71073","MoKα","","0.0865","0.0822","","","0.1881","0.1896","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235308","10.702","0.003","4.5242","0.001","19.357","0.007","90","","96.825","0.002","90","","930.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxyanilinium 2-chloroacetate","","- C8 H10 Cl N O3 -","- C8 H10 Cl N O3 -","- C32 H40 Cl4 N4 O12 -","4","1","XU5534","Wang, Ying-Chun","4-Hydroxyanilinium 2-chloroacetate","Acta Crystallographica Section E","2012","68","6","o1883","","10.1107/S1600536812021411","","","0.71073","MoKα","","0.0653","0.0475","","","0.0949","0.1037","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235309","8.1342","0.0003","7.8172","0.0003","13.2191","0.0006","90","","90.259","0.004","90","","840.55","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[4-(1H-imidazol-1-yl)benzylidene]hydrazine","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","0.5","XU5536","Jin, Yue-Bao; Li, Jie; Zhang, Ying; Lei, Ke-Wei","1,2-Bis[4-(1H-imidazol-1-yl)benzylidene]hydrazine","Acta Crystallographica Section E","2012","68","6","o1949","","10.1107/S160053681202291X","","","0.71073","MoKα","","0.0643","0.0473","","","0.1277","0.1427","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235310","6.7401","0.0008","24.09","0.003","19.254","0.002","90","","90","","90","","3126.3","0.6","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","","XU5537","Zhang, Ke-Jie; Zhang, Yan-Fang","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","o1931","o1932","10.1107/S1600536812023318","","","0.71073","MoKα","","0.0712","0.052","","","0.1342","0.1534","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235311","10.9914","0.0003","15.462","0.0005","16.176","0.0006","74.826","0.001","74.337","0.001","73.299","0.001","2484.29","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Tris(1H-benzimidazol-3-ium-2-ylmethyl)amine tris(2,4,6-trinitrophenolate) acetonitrile disolvate","","- C46 H36 N18 O21 -","- C46 H36 N18 O21 -","- C92 H72 N36 O42 -","2","1","XU5538","Bai, Ying; Yuan, Jing-Kun; Wang, Hua; Pan, Guo-Long; Wu, Hui-Lu","Tris(1H-benzimidazol-3-ium-2-ylmethyl)amine tris(2,4,6-trinitrophenolate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","6","o1922","","10.1107/S160053681202329X","","","0.71073","MoKα","","0.0512","0.0372","","","0.1097","0.1271","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235312","9.6942","0.0004","10.4394","0.0006","13.21","0.0008","90","","90","","90","","1336.87","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Cyclohexyl-2-oxo-2-phenylacetamide","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","XU5541","Jia, Ze-Jun; Wu, Jin-Long","N-Cyclohexyl-2-oxo-2-phenylacetamide","Acta Crystallographica Section E","2012","68","6","o1948","","10.1107/S1600536812023549","","","0.71073","MoKα","","0.0908","0.0357","","","0.0755","0.0818","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235313","7.072","0.004","22.691","0.013","8.905","0.006","90","","91.703","0.007","90","","1428.4","1.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(Adamantan-1-yl)carbamoyl]pyridinium chloride","","- C16 H21 Cl N2 O -","- C16 H21 Cl N2 O -","- C64 H84 Cl4 N8 O4 -","4","1","XU5543","Wang, Ying-Chun","4-[(Adamantan-1-yl)carbamoyl]pyridinium chloride","Acta Crystallographica Section E","2012","68","6","o1895","","10.1107/S1600536812022866","","","0.71073","MoKα","","0.0558","0.0443","","","0.1235","0.1574","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235314","4.643","0.0004","14.3904","0.0011","14.4976","0.001","90","","90","","90","","968.65","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","XU5544","Ouchbani, Tarik; Zouihri, Hafid; Essassi, El Mokhtar; Proksch, Peter; Ng, Seik Weng","(3R,4S)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate from Embellisia eureka","Acta Crystallographica Section E","2012","68","6","o1874","","10.1107/S1600536812022623","","","0.71073","MoKα","","0.0738","0.0388","","","0.0832","0.0962","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235315","13.0008","0.001","14.39","0.0011","9.3431","0.0007","90","","103.446","0.001","90","","1700","0.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~3~-quinoline-6-carboxylato-κ^3^N:O:O')silver(I)]","","- C10 H6 Ag N O2 -","- C10 H6 Ag N O2 -","- C80 H48 Ag8 N8 O16 -","8","1","XU5546","Yeh, Chun-Wei; Jong, Ay; Tsou, Chi-Hui; Huang, Fu-Chang; Suen, Maw-Cherng","Poly[(μ~3~-quinoline-6-carboxylato-κ^3^N:O:O')silver(I)]","Acta Crystallographica Section E","2012","68","6","m850","m851","10.1107/S1600536812023835","","","0.71073","MoKα","","0.0292","0.0272","","","0.0732","0.0751","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235316","19.637","0.005","9.6563","0.0015","7.485","0.002","90","","104.76","0.02","90","","1372.5","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(5,5'-dimethyl-2,2'-bipyridine- κ^2^N,N')cadmium]-di-μ-bromido]","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","0.5","XU5547","Shirvan, Sadif A.; Haydari Dezfuli, Sara","catena-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","6","m846","","10.1107/S1600536812023860","","","0.71073","MoKα","","0.0606","0.0411","","","0.0853","0.091","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235317","8.1707","0.0002","9.4386","0.0002","13.5192","0.0004","84.446","0.001","82.546","0.002","78.625","0.001","1010.76","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H- chromene-3-carbonitrile propan-2-one monosolvate","","- C21 H23 Cl N2 O3 -","- C21 H23 Cl N2 O3 -","- C42 H46 Cl2 N4 O6 -","2","1","XU5550","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Albayati, Mustafa R.","2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate","Acta Crystallographica Section E","2012","68","6","o1965","o1966","10.1107/S1600536812024142","","","0.71073","MoKα","","0.0677","0.0449","","","0.112","0.1259","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235318","7.1301","0.0014","8.1773","0.0016","9.97","0.002","75.58","0.03","75.1","0.03","80.34","0.03","540.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-1H-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate","","- C18 H24 N4 O8 S2 -","- C18 H24 N4 O8 S2 -","- C18 H24 N4 O8 S2 -","1","0.5","YK2053","Wang, Yu-feng","Bis(2-methyl-1H-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate","Acta Crystallographica Section E","2012","68","6","o1619","","10.1107/S1600536812019149","","","0.71073","MoKα","","0.0985","0.0548","","","0.0982","0.1074","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235319","3.6842","0.0006","7.5816","0.0005","12.4511","0.0001","78.258","0.001","85.301","0.001","82.547","0.001","337.08","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Oxalic acid‒pyridine-4-carbonitrile (1/2)","","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","- C14 H10 N4 O4 -","1","0.5","YK2054","Zheng, Wen-Ni","Oxalic acid‒pyridine-4-carbonitrile (1/2)","Acta Crystallographica Section E","2012","68","6","o1625","","10.1107/S1600536812019137","","","0.71073","MoKα","","0.0427","0.0358","","","0.096","0.1008","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235320","21.118","0.004","14.985","0.003","6.8491","0.0011","90","","92.147","0.003","90","","2165.9","0.7","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis[hexaamminecobalt(III)] pentachloride nitrate","","- Cl5 Co2 H36 N13 O3 -","- Cl5 Co2 H36 N13 O3 -","- Cl20 Co8 H144 N52 O12 -","4","0.5","YK2056","Wu, Qihui; Du, Chunyu; Lv, Yang; Chen, Guoliang; Pan, Qinhe","Bis[hexaamminecobalt(III)] pentachloride nitrate","Acta Crystallographica Section E","2012","68","6","i45","i46","10.1107/S1600536812021332","","","0.71073","MoKα","","0.0841","0.05","","","0.1223","0.1398","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235321","9.6728","0.0019","17.631","0.004","13.041","0.003","90","","100.13","0.03","90","","2189.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{N^2^,N^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6- dicarboxamide-κN}bis(methanol- κO)bis(thiocyanato-κN)cobalt(II)","","- C42 H42 Co N12 O6 S2 -","- C42 H42 Co N12 O6 S2 -","- C84 H84 Co2 N24 O12 S4 -","2","0.5","YK2057","Yang, Guang-Rui; Ren, Juan; Li, Guo-Ting","Bis{N^2^,N^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide-κN}bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","6","m765","","10.1107/S1600536812020326","","","0.71073","MoKα","","0.0625","0.0538","","","0.0971","0.1013","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235322","12.161","0.002","5.9374","0.0003","12.8282","0.0015","90","","108.012","0.019","90","","880.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","ZJ2066","Zheng, Juan; Li, Wen-juan; Song, Manman; Xu, Yan","5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2012","68","6","o1668","","10.1107/S1600536812019617","","","0.71073","MoKα","","0.0671","0.0447","","","0.1095","0.1237","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235323","7.6571","0.0003","13.0442","0.0006","9.1755","0.0004","90","","95.41","0.004","90","","912.37","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dioxa-λ^6^-thiatetracyclo[5.3.1.1^5,9^.0^1,5^]dodecane-3,3-dione","","- C9 H12 O4 S -","- C9 H12 O4 S -","- C36 H48 O16 S4 -","4","1","ZJ2070","Ioannou, Savvas; Moushi, Eleni","2,4-Dioxa-λ^6^-thiatetracyclo[5.3.1.1^5,9^.0^1,5^]dodecane-3,3-dione","Acta Crystallographica Section E","2012","68","6","o1719","","10.1107/S160053681202079X","","","0.71073","MoKα","","0.0424","0.0359","","","0.0935","0.0972","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235324","12.5042","0.0003","13.5214","0.0002","12.4538","0.0003","90","","109.667","0.004","90","","1982.79","0.09","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)bis[aqua(dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)nickel(II)] dihydrate","","- C16 H56 N4 Ni2 O32 P8 -","- C16 H56 N4 Ni2 O32 P8 -","- C32 H112 N8 Ni4 O64 P16 -","2","0.5","ZJ2074","Sikorska, Małgorzata; Gazda, Maria; Chojnacki, Jaroslaw","Nickel alendronate","Acta Crystallographica Section E","2012","68","6","m820","m821","10.1107/S1600536812022532","","","0.71073","MoKα","","0.0483","0.0456","","","0.1222","0.1239","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235325","11.8862","0.0018","5.6431","0.0009","15.5","0.002","90","","95.687","0.002","90","","1034.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diaquanickel(II)]-bis(μ-2-{[5-(pyridin-4-yl)-1,3,4- oxadiazol-2-yl]sulfanyl}acetato)]","","- C18 H16 N6 Ni O8 S2 -","- C18 H16 N6 Ni O8 S2 -","- C36 H32 N12 Ni2 O16 S4 -","2","0.5","ZJ2075","Gao, Ru-Qin; Xia, Chao-Hui; Li, Guo-Ting","catena-Poly[[diaquanickel(II)]-bis(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)]","Acta Crystallographica Section E","2012","68","6","m763","m764","10.1107/S1600536812020259","","","0.71073","MoKα","","0.0391","0.0283","","","0.0624","0.0684","","","","","","1.027","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2235326","15.9433","0.0008","14.4097","0.0006","12.531","0.0006","90","","108.774","0.003","90","","2725.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-3,3-bis(4-methylpiperazin-1-yl)-1-[2-(4-methylpiperazin-1- yl)ethyl]indolin-2-one","","- C26 H43 N7 O -","- C26 H43 N7 O -","- C104 H172 N28 O4 -","4","1","ZJ2076","Lin, Hui-Hui; Zheng, Xiao-Lin; Cao, Sheng-Li","5-Methyl-3,3-bis(4-methylpiperazin-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]indolin-2-one","Acta Crystallographica Section E","2012","68","6","o1855","","10.1107/S1600536812022416","","","0.71073","MoKα","","0.0723","0.0465","","","0.1134","0.1289","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235327","13.2432","0.0006","6.1574","0.0002","8.5959","0.0003","90","","98.155","0.002","90","","693.85","0.05","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~7~-3-sulfonato-L-alaninato)sodiumzinc]","","- C6 H10 N2 Na2 O10 S2 Zn -","- C6 H10 N2 Na2 O10 S2 Zn -","- C12 H20 N4 Na4 O20 S4 Zn2 -","2","0.5","ZJ2077","Li, Xiao-lin; Yu, Jing; Liu, Li","Poly[bis(μ~7~-3-sulfonato-L-alaninato)sodiumzinc]","Acta Crystallographica Section E","2012","68","6","m849","","10.1107/S160053681202394X","","","0.71073","MoKα","","0.0273","0.027","","","0.0752","0.0754","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235328","8.4799","0.0019","22.954","0.005","8.5089","0.0019","90","","110.077","0.002","90","","1555.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(2-Hydroxyethoxy)phenethyl]phthalimide","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","ZL2473","Yang, Er-Qun; Zhang, Jun-Tao; Cao, Xiao-Ping; Gu, Jin-Zhong","N-[2-(2-Hydroxyethoxy)phenethyl]phthalimide","Acta Crystallographica Section E","2012","68","6","o1636","","10.1107/S1600536812018429","","","0.71073","MoKα","","0.0934","0.0536","","","0.1212","0.1462","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235329","6.3651","0.0013","11.475","0.002","19.861","0.004","90","","90","","90","","1450.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(Quinolin-8-yl)quinoline-2-carboxamide","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","ZL2476","Li, Yanfeng; Zhou, Hongbo; Shen, Xiaoping","N-(Quinolin-8-yl)quinoline-2-carboxamide","Acta Crystallographica Section E","2012","68","6","o1688","","10.1107/S1600536812020144","","","0.71073","MoKα","","0.0393","0.0351","","","0.0798","0.0824","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235330","7.5791","0.0003","11.0242","0.0005","19.6736","0.0007","90","","90","","90","","1643.8","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (R)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","","- C15 H12 Cl N O7 S -","- C15 H12 Cl N O7 S -","- C60 H48 Cl4 N4 O28 S4 -","4","1","ZL2477","Li, Ying-Hua; Xu, Hong-Wu; Zhang, Liu-Xue","Methyl (R)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","Acta Crystallographica Section E","2012","68","6","o1689","","10.1107/S1600536812020016","","","0.71073","MoKα","","0.0493","0.0389","","","0.0812","0.0863","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235331","9.0425","0.0003","18.518","0.0007","11.1983","0.0004","90","","90.423","0.001","90","","1875.09","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4Z)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl- 1H-pyrazol-5(4H)-one","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C92 H72 Cl4 N12 O4 -","4","1","ZQ2164","Xu, Li-Ying; Li, Ning; Li, Jia-Min; Zhang, Heng-Qiang; Sun, Zhen-Hai","(4Z)-4-[(2-Chloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","6","o1843","","10.1107/S1600536812020004","","","0.71073","MoKα","","0.0371","0.0341","","","0.0925","0.0949","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235332","11.2696","0.001","11.7093","0.001","7.6961","0.0007","90","","90.108","0.002","90","","1015.57","0.16","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(E)-(Hydroxyimino)methyl]-N,N-dimethylanilinium chloride","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","ZQ2166","Devi, T. Uma; Kalpana, G.; Priya, S.; Ravikumar, K.; Selvanayagam, S.","4-[(E)-(Hydroxyimino)methyl]-N,N-dimethylanilinium chloride","Acta Crystallographica Section E","2012","68","6","o1705","","10.1107/S1600536812020211","","","0.71073","MoKα","","0.0325","0.0307","","","0.0911","0.0929","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235333","13.8912","0.0008","12.4572","0.0004","17.8617","0.0011","90","","90","","90","","3090.9","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rac-2-(2-Chloro-6-methylquinolin-3-yl)-2,3- dihydroquinolin-4(1H)-one","","- C19 H15 Cl N2 O -","- C19 H15 Cl N2 O -","- C152 H120 Cl8 N16 O8 -","8","1","ZS2200","Bouraiou, Abdelmalek; Bouacida, Sofiane; Bertrand, Carboni; Roisnel, Thierry; Belfaitah, Ali","rac-2-(2-Chloro-6-methylquinolin-3-yl)-2,3-dihydroquinolin-4(1H)-one","Acta Crystallographica Section E","2012","68","6","o1701","o1702","10.1107/S1600536812020831","","","0.71073","MoKα","","0.1516","0.0619","","","0.1293","0.1688","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235334","16.0949","0.0004","7.7012","0.0002","22.6874","0.0004","90","","90","","90","","2812.1","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-(4-bromobutyl)-9H-carbazole","9-(4-Bromobutyl)-9H-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","ZS2201","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","9-(4-Bromobutyl)-9H-carbazole","Acta Crystallographica Section E","2012","68","6","o1853","","10.1107/S1600536812022398","","","0.71073","MoKα","","0.0732","0.049","","","0.1283","0.1461","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235335","15.3583","0.0005","11.3833","0.0004","22.207","0.0007","90","","90","","90","","3882.4","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9- tetrahydro-1H-xanthen-1-one","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","ZS2203","Kurbanova, Malahat M.; Gurbanov, Atash V.; Mahmudov, Kamran T.; Maharramov, Abel M.; Ng, Seik Weng","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1606","","10.1107/S1600536812018934","","","0.71073","MoKα","","0.0823","0.0621","","","0.1731","0.1954","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235336","9.124","0.002","20.18","0.005","7.2767","0.0019","90","","99.479","0.005","90","","1321.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-amino-5-methyl-1,3,4-thiadiazole-κN^3^)dichloridocobalt(II)","","- C6 H10 Cl2 Co N6 S2 -","- C6 H10 Cl2 Co N6 S2 -","- C24 H40 Cl8 Co4 N24 S8 -","4","1","ZS2204","Song, Ye; Ji, Yu-Fei; Kang, Min-Yan; Liu, Zhi-Liang","Bis(2-amino-5-methyl-1,3,4-thiadiazole-κN^3^)dichloridocobalt(II)","Acta Crystallographica Section E","2012","68","6","m772","","10.1107/S1600536812020995","","","0.71073","MoKα","","0.083","0.0451","","","0.0971","0.1104","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235337","4.6615","0.0002","10.5375","0.0005","25.2153","0.0015","90","","90","","90","","1238.59","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(4-chlorobenzylidene)-2-hydroxy-5-chloroaniline","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","ZS2205","Efil, Kürşat; Şen, Fatih; Bekdemir, Yunus; Büyükgüngör, Orhan","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2012","68","6","o1696","","10.1107/S1600536812019770","","","0.71073","MoKα","","0.0501","0.0329","","","0.077","0.0822","","","","","","0.931","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235338","13.865","0.002","11.531","0.0018","18.86","0.003","90","","90","","90","","3015.3","0.8","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato- κ^2^N,N'}nickel(II) tetrahydrate","","- C24 H30 N4 Ni O12 S2 -","- C24 H30 N4 Ni O12 S2 -","- C96 H120 N16 Ni4 O48 S8 -","4","1","ZS2208","Li, Chao-Zhu; Huang, Xue-Ren","Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ^2^N,N'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","6","m809","m810","10.1107/S1600536812022179","","","0.71073","MoKα","","0.0368","0.0339","","","0.0966","0.1002","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235339","3.7286","0.0007","9.836","0.002","10.487","0.002","117.35","0.03","97.01","0.03","93.65","0.03","335.92","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolium hydrogen oxalate","1H-Pyrazol-2-ium hydrogen oxalate","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C10 H12 N4 O8 -","2","1","ZS2209","Yu, Chun-Hua; Zhu, Run-Qiang","1H-Pyrazol-2-ium hydrogen oxalate","Acta Crystallographica Section E","2012","68","6","o1911","","10.1107/S1600536812023136","","","0.71073","MoKα","","0.1908","0.0952","","","0.2402","0.2852","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235340","7.2941","0.0006","19.2984","0.0015","12.7491","0.001","90","","92.892","0.002","90","","1792.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1E,4E)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1- yl)penta-1,4-dien-3-one","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","ZS2210","Zou, Peng; Jin, Yi-Jun; Xiang, Liu-Fang; Sun, Dong-Ping; Yang, Shu-Lin","(1E,4E)-1-(2-Nitrophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2012","68","6","o1858","","10.1107/S1600536812022453","","","0.71073","MoKα","","0.0744","0.0546","","","0.1319","0.1436","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235341","6.3526","0.0007","15.7199","0.0014","9.8235","0.0009","90","","101.235","0.001","90","","962.2","0.16","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","","- C14 H19 Cl Cu N4 O8 -","- C14 H19 Cl Cu N4 O8 -","- C28 H38 Cl2 Cu2 N8 O16 -","2","1","AA2060","Zhong, Baoyun; Li, Shengli; Chen, Guifang","Aqua[1-(pyridin-2-yl)ethanone oximato][1-(2-pyridin-2-yl)ethanone oxime]copper(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","7","m874","","10.1107/S1600536812023872","","","0.71073","MoKα","","0.0423","0.0367","","","0.0918","0.0956","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235342","6.0525","0.0012","11.919","0.002","14.526","0.003","90","","90","","90","","1047.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(L-lactato)magnesium","","- C6 H14 Mg O8 -","- C6 H14 Mg O8 -","- C24 H56 Mg4 O32 -","4","1","AA2062","Zhu, Hong-lin; Jin, Ling","Diaquabis(L-lactato)magnesium","Acta Crystallographica Section E","2012","68","7","m978","","10.1107/S1600536812028723","","","0.71073","MoKα","","0.0385","0.029","","","0.0613","0.0735","","","","","","1.143","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235343","4.3989","0.0002","6.2553","0.0002","13.8907","0.0008","91.4","0.0008","93.58","0.001","101.967","0.001","372.91","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","4-Chloroanilinium bromide","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","AA2066","Zhao, Min-Min","4-Chloroanilinium bromide","Acta Crystallographica Section E","2012","68","7","o2022","","10.1107/S1600536812024993","","","0.71073","MoKα","","0.0451","0.0411","","","0.1013","0.1026","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235344","17.1756","0.0006","11.1724","0.0004","22.6546","0.0008","90","","90","","90","","4347.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","24-Acetyl-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-28-one","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","1","AA2068","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","24-Acetyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-28-one","Acta Crystallographica Section E","2012","68","7","o2165","o2166","10.1107/S1600536812027274","","","0.71073","MoKα","","0.0647","0.0415","","","0.0978","0.1059","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235345","17.4583","0.0002","7.4162","0.0001","16.9622","0.0002","90","","116.255","0.002","90","","1969.6","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}- 1H-benzimidazole propan-2-ol monosolvate","","- C19 H22 F3 N3 O2 S -","- C19 H22 F3 N3 O2 S -","- C76 H88 F12 N12 O8 S4 -","4","1","BG2460","Ma, Jin-Ju; Qi, Ming-Hui; Hong, Ming-Huang; Lu, Jie; Ren, Guo-Bin","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1H-benzimidazole propan-2-ol monosolvate: a second monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2017","","10.1107/S1600536812022143","","","1.54178","CuKα","","0.041","0.0401","","","0.1152","0.1158","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235346","10.2744","0.0004","14.9979","0.0006","15.906","0.0006","90","","127.347","0.002","90","","1948.51","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(1,10-phenanthroline)zinc]- μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]","","- C23 H16 N2 O5 Zn -","- C23 H16 N2 O5 Zn -","- C92 H64 N8 O20 Zn4 -","4","1","BG2464","Chen, Ling","catena-Poly[[(1,10-phenanthroline)zinc]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]","Acta Crystallographica Section E","2012","68","7","m882","","10.1107/S1600536812024610","","","0.71073","MoKα","","","0.0232","","","0.0666","0.0704","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235347","19.612","0.0008","9.2008","0.0003","19.124","0.0009","90","","107.904","0.005","90","","3283.7","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BINAP","rac-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl","","- C44 H32 P2 -","- C44 H32 P2 -","- C176 H128 P8 -","4","0.5","BG2467","Niu, Feng; Chai, Wenxiang; Song, Li; Zhou, Mengbo; Liang, Jiaping","rac-2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl: a racemic diphosphine ligand","Acta Crystallographica Section E","2012","68","7","o2033","","10.1107/S1600536812025603","","","0.7107","MoKα","","0.0639","0.0415","","","0.09","0.0994","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235348","9.3608","0.001","12.6895","0.0014","14.6765","0.0016","97.007","0.002","93.625","0.002","102.983","0.002","1678.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxymethoxy-7-trifluoromethyl-1,3-benzodioxole-5-carbaldehyde","","- C11 H9 F3 O5 -","- C11 H9 F3 O5 -","- C66 H54 F18 O30 -","6","3","BH2420","Wang, Yanfeng; Pan, Xinhui; Liu, Dexiu; Lou, Hong-Xiang","6-Methoxymethoxy-7-trifluoromethyl-1,3-benzodioxole-5-carbaldehyde","Acta Crystallographica Section E","2012","68","7","o1981","","10.1107/S1600536812022490","","","0.71073","MoKα","","0.0488","0.041","","","0.1142","0.122","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235349","16.3974","0.0016","17.0854","0.0008","21.687","0.003","90","","106.709","0.016","90","","5819.2","1.1","101","","101","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetrabutylammonium) [2-(ethoxycarbony)phenylimido]-μ~6~-oxido-dodeca-μ~2~-oxido- pentaoxidohexamolybdenum diethyl ether hemisolvate","","- C43 H86 Mo6 N3 O20.5 -","- C43 H86 Mo6 N3 O20.5 -","- C172 H344 Mo24 N12 O82 -","4","1","BH2428","Wang, Manxiang; Tao, Shikai; Guo, Jing; Hao, Jian; Li, Qiang","Bis(tetrabutylammonium) [2-(ethoxycarbony)phenylimido]-μ~6~-oxido-dodeca-μ~2~-oxido-pentaoxidohexamolybdenum diethyl ether hemisolvate","Acta Crystallographica Section E","2012","68","7","m926","m927","10.1107/S1600536812026323","","","0.71073","MoKα","","0.0597","0.0389","","","0.0774","0.0875","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235350","10.7804","0.0008","7.7938","0.0007","23.8862","0.0017","90","","90","","90","","2006.9","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z,1S,10aR)-(-)-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-a]azocine- 10a-carboxylate","","- C21 H35 N O3 -","- C21 H35 N O3 -","- C84 H140 N4 O12 -","4","1","BH2433","Muroni, Daniele; Napolitano, Emilio; Perez, Olivier; Culeddu, Nicola; Saba, Antonio","(Z,1S,10aR)-({-})-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-a]azocine-10a-carboxylate","Acta Crystallographica Section E","2012","68","7","o2224","o2225","10.1107/S1600536812027900","","","0.71069","MoKα","","0.0707","0.0407","","","0.0443","0.0474","","","","","","1.23","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235351","22.323","0.006","10.937","0.003","34.13","0.009","90","","90","","90","","8333","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1H-benzimidazole)- κ^3^N^3^,O,N^3'^]bis(2,4,6-trinitrophenolato- κO^1^)manganese(II)","","- C42 H30 Mn N10 O15 -","- C42 H30 Mn N10 O15 -","- C336 H240 Mn8 N80 O120 -","8","1","BH2434","Li, Congfen; Kou, Fan; Li, Xinghan; Wu, Hao; Wu, Huilu","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1H-benzimidazole)-κ^3^N^3^,O,N^3'^]bis(2,4,6-trinitrophenolato-κO^1^)manganese(II)","Acta Crystallographica Section E","2012","68","7","m923","","10.1107/S1600536812026037","","","0.71073","MoKα","","0.1177","0.0583","","","0.1131","0.1358","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235352","7.3886","0.0015","25.497","0.005","8.8579","0.0018","90","","93.64","0.03","90","","1665.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}- 1H-benzimidazole monohydrate","","- C16 H16 F3 N3 O2 S -","- C16 H16 F3 N3 O2 S -","- C64 H64 F12 N12 O8 S4 -","4","1","BH2435","Chen, Yu-Feng; Chen, Jin-Yao; Hong, Ming-Huang; Lu, Jie; Ren, Guo-Bin","2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1H-benzimidazole monohydrate: a monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2015","o2016","10.1107/S1600536812022131","","","1.54178","CuKα","","0.0527","0.0494","","","0.1446","0.1516","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235353","10.6435","0.0004","15.9508","0.0013","21.1764","0.0008","90","","90","","90","","3595.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (2R,4aR,5aR,11aS,12R, 12aR)-8-[bis(tert-butoxycarbonyl)amino]-12-hydroxy-2- methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2H-1,3,5- trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","","- C27 H46 N5 O15 P -","- C27 H46 N5 O15 P -","- C108 H184 N20 O60 P4 -","4","1","BH2437","Gainsford, Graeme J.; Clinch, Keith; Dixon, Rachel; Tiwari, Ashish","tert-Butyl (2R,4aR,5aR,11aS,12R,12aR)-8-[bis(tert-butoxycarbonyl)amino]-12-hydroxy-2-methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2H-1,3,5-trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","7","o2250","o2251","10.1107/S160053681202867X","","","1.54184","CuKα","","0.043","0.0376","","","0.092","0.0955","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235354","6.759","0.005","10.061","0.005","12.263","0.005","109.08","0.005","94.521","0.005","93.098","0.005","782.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde","","- C17 H12 Br Cl N2 O -","- C17 H12 Br Cl N2 O -","- C34 H24 Br2 Cl2 N4 O2 -","2","1","BH2439","Li, Fu-Rong; Zhang, Yu-Juan; Guo, Feng-Guang; Duan, Gui-Yun; Ge, Yan-Qing","3-(4-Bromophenyl)-1-(4-chlorobenzyl)-1H-pyrazole-5-carbaldehyde","Acta Crystallographica Section E","2012","68","7","o2203","","10.1107/S1600536812027298","","","0.71069","MoKα","","0.0523","0.0363","","","0.0965","0.1037","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235355","12.8455","0.0004","21.5944","0.0007","8.2681","0.0003","90","","93.712","0.002","90","0.002","2288.68","0.13","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[diaqua(1,10-phenanthroline) manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate","","- C23 H22 Mn N2 O8 -","- C23 H20 Mn N2 O8 -","- C92 H80 Mn4 N8 O32 -","4","1","BQ2356","Ji, Jun; Yang, Yuan-Fa; Wen, Yi-Hang","catena-Poly[[[diaqua(1,10-phenanthroline)manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate]","Acta Crystallographica Section E","2012","68","7","m912","m913","10.1107/S1600536812023896","","","0.71073","MoKα","","","0.0404","","","0.1061","0.1162","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235356","7.743","0.002","7.199","0.002","31.913","0.01","90","","90","","90","","1778.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-chloroanilinium thiocyanate","4-Chloroanilinium thiocyanate","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C56 H56 Cl8 N16 S8 -","8","1","BQ2362","Yusoff, Siti Fairus M.; Halima, F. Salem; Yamin, Bohari M.","4-Chloroanilinium thiocyanate","Acta Crystallographica Section E","2012","68","7","o1988","","10.1107/S160053681202377X","","","0.71073","MoKα","","0.0446","0.0393","","","0.1049","0.1084","","","","","","1.18","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235357","9.66","0.003","15.039","0.004","16.16","0.005","90","","102.424","0.007","90","","2292.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacycylotetradeca-1,7-diene)copper(II)]-μ-chlorido- [dichlorocuprate(II)]-μ-chlorido]","","- C16 H32 Cl4 Cu2 N4 -","- C16 H32 Cl4 Cu2 N4 -","- C64 H128 Cl16 Cu8 N16 -","4","1","BQ2363","Yamin, Bohari M.; Ismail, Wafiuddin; Daran, Jean-Claude","catena-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)copper(II)]-μ-chlorido-[dichlorocuprate(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m886","m887","10.1107/S1600536812024932","","","0.71073","MoKα","","0.0861","0.0558","","","0.1465","0.1875","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235358","13.9945","0.0014","5.044","0.0004","27.286","0.002","90","","90","","90","","1926.1","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(2E)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C72 H88 N24 O24 -","8","2","BQ2364","Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad","(2E)-2-(4-Hydroxy-3-methoxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2012","68","7","o2071","","10.1107/S1600536812025299","","","0.71073","MoKα","","0.1381","0.0557","","","0.0902","0.1125","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235359","21.1252","0.0014","3.8763","0.0003","11.7009","0.0008","90","","90","","90","","958.16","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-(4-Chlorophenyl)-2-fluoropyridine","","- C11 H7 Cl F N -","- C11 H7 Cl F N -","- C44 H28 Cl4 F4 N4 -","4","1","BQ2365","Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz; Khan, Azim; Langer, Peter","5-(4-Chlorophenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","7","o2043","","10.1107/S1600536812025378","","","0.71073","MoKα","","0.0481","0.032","","","0.0673","0.0731","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235360","7.1881","0.0006","10.6682","0.001","11.6865","0.0009","92.181","0.004","99.776","0.004","99.606","0.005","868.74","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-{[(E)-2,3-Dihydroxybenzylidene]amino}- N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","","- C17 H15 N3 O5 S -","- C17 H15 N3 O5 S -","- C34 H30 N6 O10 S2 -","2","1","BQ2368","Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Munir, Christy; Aziz, Tariq","4-{[(E)-2,3-Dihydroxybenzylidene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2125","","10.1107/S1600536812026657","","","0.71073","MoKα","","0.099","0.0491","","","0.1011","0.1208","","","","","","1","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235361","11.9874","0.0006","5.1197","0.0002","21.5045","0.0009","90","","96.498","0.002","90","","1311.29","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 5-carboxypentanoate monohydrate","","- C11 H18 N2 O5 -","- C11 H18 N2 O5 -","- C44 H72 N8 O20 -","4","1","BT5875","Raj, S. Alfred Cecil; Sinthiya, A.; Varghese, Babu","4-Aminopyridinium 5-carboxypentanoate monohydrate","Acta Crystallographica Section E","2012","68","7","o2181","","10.1107/S1600536812027638","","","0.71073","MoKα","","0.0453","0.0382","","","0.1025","0.1095","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235362","7.405","0.0007","8.4239","0.0008","12.2363","0.001","90.382","0.007","93.974","0.007","110.004","0.008","715.14","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C28 H24 N8 O4 S2 -","2","1","BT5899","Feizi, Samaneh; Rezayan, Ali Hossein; Sardari, Soroush; Notash, Behrouz","(E)-1-(2-Nitrobenzylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2012","68","7","o2154","","10.1107/S1600536812026803","","","0.71073","MoKα","","0.0818","0.0532","","","0.116","0.1279","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235363","10.7588","0.0007","7.4761","0.0006","20.1029","0.0013","90","","90.917","0.006","90","","1616.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(2,2'-bipyridine-κ^2^N,N')(2-methylmalonato- κ^2^O^1^,O^3^)copper(II) dihydrate","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C56 H72 Cu4 N8 O28 -","4","1","BT5931","Manochitra, P.; Manikandan, N.; Murugavel, S.; Sreeshailam, R.; Sambasiva Rao, P.","Aqua(2,2'-bipyridine-κ^2^N,N')(2-methylmalonato-κ^2^O^1^,O^3^)copper(II) dihydrate","Acta Crystallographica Section E","2012","68","7","m884","m885","10.1107/S1600536812024889","","","0.71073","MoKα","","0.0746","0.0485","","","0.1046","0.1193","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235364","9.9366","0.0002","15.6564","0.0003","14.8505","0.0003","90","","103.782","0.002","90","","2243.8","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone","","- C12 H8 Cl2 O4 -","- C12 H8 Cl2 O4 -","- C96 H64 Cl16 O32 -","8","1","BT5932","Ukaegbu, Maraizu; Butcher, Ray J.; Enwerem, N. M.; Bakare, Oladapo; Hosten, Charles","2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone","Acta Crystallographica Section E","2012","68","7","o2018","","10.1107/S1600536812023926","","","1.54184","CuKα","","0.028","0.0277","","","0.0768","0.0771","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235365","7.9592","0.0008","7.9598","0.0008","13.3712","0.0013","105.062","0.002","101.287","0.002","99.131","0.002","782.3","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')zinc]- μ-acetylenedicarboxylato-κ^2^O^1^:O^2^] monohydrate]","","- C16 H12 N2 O6 Zn -","- C16 H12 N2 O6 Zn -","- C32 H24 N4 O12 Zn2 -","2","1","BT5933","Fettouhi, Mohammed","catena-Poly[[[aqua(1,10-phenanthroline-κ^2^N,N')zinc]-μ-acetylenedicarboxylato-κ^2^O^1^:O^2^] monohydrate]","Acta Crystallographica Section E","2012","68","7","m895","","10.1107/S1600536812025068","","","0.71073","MoKα","","0.0465","0.0414","","","0.1081","0.1106","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235366","33.349","0.002","4.9737","0.0004","13.171","0.001","90","","90.66","0.007","90","","2184.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N,N-Bis(4-chlorophenylsulfonyl)succinamide dihydrate","","- C16 H18 Cl2 N2 O8 S2 -","- C16 H18 Cl2 N2 O8 S2 -","- C64 H72 Cl8 N8 O32 S8 -","4","0.5","BT5934","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","N,N-Bis(4-chlorophenylsulfonyl)succinamide dihydrate","Acta Crystallographica Section E","2012","68","7","o2063","","10.1107/S1600536812024725","","","0.71073","MoKα","","0.0549","0.046","","","0.1133","0.1196","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235367","6.6253","0.0008","7.9634","0.0009","21.545","0.003","88.57","0.01","81.99","0.01","84.25","0.01","1119.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Chloro-3-methylphenyl)succinamic acid","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","2","BT5936","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Chloro-3-methylphenyl)succinamic acid","Acta Crystallographica Section E","2012","68","7","o2003","","10.1107/S1600536812024567","","","0.71073","MoKα","","0.14","0.0895","","","0.1373","0.1551","","","","","","1.329","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235368","30.7877","0.0006","9.7608","0.0002","7.4757","0.0002","90","","90","","90","","2246.54","0.09","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cyclopropylammonium 4-iodobenzoate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C80 H96 I8 N8 O16 -","8","1","BT5937","Lemmerer, Andreas","Cyclopropylammonium 4-iodobenzoate","Acta Crystallographica Section E","2012","68","7","o2096","","10.1107/S160053681202449X","","","0.71073","MoKα","","","0.0229","","","","0.047","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235369","14.5008","0.001","8.6216","0.0004","15.9905","0.0009","90","","114.423","0.007","90","","1820.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Bipyridine-κ^2^N,N')chlorido[N-(2-hydroxyethyl)- N-isopropyldithiocarbamato-κ^2^S,S']zinc(II)","","- C16 H20 Cl N3 O S2 Zn -","- C16 H20 Cl N3 O S2 Zn -","- C64 H80 Cl4 N12 O4 S8 Zn4 -","4","1","BT5940","Mohamad, Fatin Allia; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.","(Bipyridine-κ^2^N,N')chlorido[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc(II)","Acta Crystallographica Section E","2012","68","7","m958","m959","10.1107/S1600536812027626","","","0.71073","MoKα","","0.0371","0.0306","","","0.0673","0.071","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235370","16.0726","0.0002","8.7982","0.0001","8.0555","0.0001","90","","96.1134","0.0007","90","","1132.65","0.02","92","2","92","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-dimethyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene-3,8-dione","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","0.5","BT5941","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","5,6-Dimethyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene-3,8-dione","Acta Crystallographica Section E","2012","68","7","o2216","","10.1107/S1600536812027699","","","0.71073","MoKα","","0.0631","0.0503","","","0.1403","0.1478","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235371","8.2037","0.0004","9.5319","0.0004","13.839","0.0007","77.743","0.002","87.307","0.003","80.672","0.002","1043.43","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H- chromene-3-carbonitrile propan-2-one monosolvate","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C44 H52 N4 O8 -","2","1","BT5943","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Allahverdiyev, M. A.","2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate","Acta Crystallographica Section E","2012","68","7","o2206","o2207","10.1107/S160053681202781X","","","0.71073","MoKα","","0.0902","0.0592","","","0.1597","0.1816","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235372","8.4958","0.0003","8.7197","0.0003","10.052","0.0003","101.93","0.001","95.179","0.002","90.314","0.002","725.38","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","(Z)-3-(2-Chlorobenzyl)-1,5-benzothiazepin-4(5H)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C32 H24 Cl2 N2 O2 S2 -","2","1","BT5944","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(Z)-3-(2-Chlorobenzyl)-1,5-benzothiazepin-4(5H)-one","Acta Crystallographica Section E","2012","68","7","o2283","","10.1107/S1600536812029030","","","0.71073","MoKα","","0.0544","0.0443","","","0.1189","0.1286","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235373","26.337","0.009","28.349","0.01","4.99","0.002","90","","90","","90","","3726","2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","5,5'-Methylenebis(2-isopropoxybenzaldehyde)","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","","- C21 H24 O4 -","- C21 H24 O4 -","- C168 H192 O32 -","8","0.5","BT5945","Suresh, G.; Sabari, V.; Devaraj, A.; Bakthadoss, M.; Aravindhan, S.","2,2'-Diisopropoxy-5,5'-methylenedibenzaldehyde","Acta Crystallographica Section E","2012","68","7","o2199","","10.1107/S1600536812028048","","","0.71073","MoKα","","0.0476","0.0395","","","0.1061","0.1135","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235374","9.9099","0.0002","11.7327","0.0002","12.4079","0.0004","101.131","0.002","106.039","0.002","114.817","0.001","1176.86","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(2E,2'E)-Dimethyl 2,2'-[(phenylazanediyl)bis(methylene)]bis(3-phenylacrylate)","","- C28 H27 N O4 -","- C28 H27 N O4 -","- C56 H54 N2 O8 -","2","1","BT5946","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(2E,2'E)-Dimethyl 2,2'-[(phenylazanediyl)bis(methylene)]bis(3-phenylacrylate)","Acta Crystallographica Section E","2012","68","7","o2265","","10.1107/S1600536812029042","","","0.71073","MoKα","","0.0802","0.0469","","","0.11","0.1267","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235375","17.0433","0.0003","9.3216","0.0002","13.6038","0.0002","90","","97.313","0.002","90","","2143.67","0.07","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N,N'-Bis(2,6-dichlorobenzylidene)propane-1,3- diamine-κ^2^N,N']dibromidozinc","","- C17 H14 Br2 Cl4 N2 Zn -","- C17 H14 Br2 Cl4 N2 Zn -","- C68 H56 Br8 Cl16 N8 Zn4 -","4","1","BT5947","Khalaji, Aliakbar Dehno; Grivani, Gholamhossein; Seyyedi, Mohammad; Fejfarová, Karla; Dušek, Michal","[N,N'-Bis(2,6-dichlorobenzylidene)propane-1,3-diamine-κ^2^N,N']dibromidozinc","Acta Crystallographica Section E","2012","68","7","m971","","10.1107/S1600536812027997","","","0.7107","MoKα","","0.0371","0.0233","","0.0534","0.0494","0.0534","","","1.32","","","1.32","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235376","6.8289","0.0004","14.7444","0.0008","26.7258","0.0014","90","","93.757","0.005","90","","2685.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-[(E)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","BT5948","Asiri, Abdullah M.; Faidallah, Hassan M.; Zayed, Mohie E. M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(E)-4-Methoxybenzylidene]-1,2,3,4-tetrahydronaphthalen-1-one","Acta Crystallographica Section E","2012","68","7","o2190","","10.1107/S160053681202805X","","","0.71073","MoKα","","0.1046","0.0552","","","0.144","0.1867","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235377","22.7768","0.0008","7.3978","0.0001","22.2118","0.0007","90","","109.642","0.004","90","","3524.87","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Acetylanilino)-1-ferrocenylpropan-1-one","","- C21 H21 Fe N O2 -","- C21 H21 Fe N O2 -","- C168 H168 Fe8 N8 O16 -","8","2","BT5949","Novaković, Sladjana B.; Stevanović, Dragana; Divjaković, Vladimir; Bogdanović, Goran A.; Vukićević, Rastko D.","3-(3-Acetylanilino)-1-ferrocenylpropan-1-one","Acta Crystallographica Section E","2012","68","7","m979","m980","10.1107/S1600536812028796","","","0.71073","MoKα","","0.0825","0.0572","","","0.1026","0.1115","","","","","","1.125","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235378","12.1343","0.0004","17.801","0.0007","7.5464","0.0002","90","","92.946","0.003","90","","1627.89","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-3-(2-methylanilino)propan-1-one","","- C20 H21 Fe N O -","- C20 H21 Fe N O -","- C80 H84 Fe4 N4 O4 -","4","1","BT5950","Leka, Zorica; Novaković, Sladjana B.; Pejović, Anka; Bogdanović, Goran A.; Vukićević, Rastko D.","1-Ferrocenyl-3-(2-methylanilino)propan-1-one","Acta Crystallographica Section E","2012","68","7","m995","m996","10.1107/S1600536812028802","","","0.71073","MoKα","","0.0581","0.0392","","","0.0859","0.0966","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235379","7.307","0.004","8.559","0.004","25.674","0.009","90","","90","","90","","1605.7","1.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-2-(1H-Indol-3-yl)-N-(1-phenylethyl)acetamide","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","BT5951","Ramírez, Johana; Romero, Oscar; Juárez, Jorge R.; Terán, Joel L.; Mendoza, Angel","(S)-({-})-2-(1H-Indol-3-yl)-N-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2012","68","7","o2252","","10.1107/S1600536812028450","","","0.71073","MoKα","","0.1315","0.065","","","","0.1613","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235380","9.2754","0.0005","11.9983","0.0009","18.4996","0.0013","90","","92.772","0.006","90","","2056.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Nitro-N-[(E)-thiophen-2-ylmethylidene]aniline","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C88 H64 N16 O16 S8 -","8","1","BT5953","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitro-N-[(E)-thiophen-2-ylmethylidene]aniline","Acta Crystallographica Section E","2012","68","7","o2288","","10.1107/S1600536812028346","","","0.71073","MoKα","","0.0582","0.0401","","","0.0971","0.1109","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235381","13.0411","0.0009","15.897","0.001","10.9417","0.0009","90","","112.306","0.009","90","","2098.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo- 1-phenylbut-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","","- C22 H18 F6 N2 O2 -","- C22 H18 F6 N2 O2 -","- C88 H72 F24 N8 O8 -","4","1","BT5954","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-yl]amino}ethyl)amino]but-3-en-2-one","Acta Crystallographica Section E","2012","68","7","o2289","o2290","10.1107/S1600536812028875","","","0.71073","MoKα","","0.0999","0.0597","","","0.1319","0.165","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235382","11.4453","0.0004","18.768","0.0007","20.5765","0.0007","90","","95.9","0.001","90","","4396.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{1-[2-(diphenylphosphanyl)ethyl]-3-ethylimidazol-2-ylidene}nickel(II) diiodide acetonitrile disolvate","","- C42 H48 I2 N6 Ni P2 -","- C42 H48 I2 N6 Ni P2 -","- C168 H192 I8 N24 Ni4 P8 -","4","1","BT5955","Ahmida, Aziza; Withake, Domenica; Flörke, Ulrich; Egold, Hans; Henkel, Gerald","Bis{1-[2-(diphenylphosphanyl)ethyl]-3-ethylimidazol-2-ylidene}nickel(II) diiodide acetonitrile disolvate","Acta Crystallographica Section E","2012","68","7","m975","","10.1107/S1600536812028784","","","0.71073","MoKα","","0.0296","0.0246","","","0.0602","0.0627","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235383","10.4425","0.0006","11.2544","0.0006","11.7035","0.0006","106.635","0.005","104.289","0.005","113.558","0.005","1101.14","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4E)-N-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6- diphenylpiperidin-4-imine","","- C26 H27 Br N2 O -","- C26 H27 Br N2 O -","- C52 H54 Br2 N4 O2 -","2","1","BT5957","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","(4E)-N-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","7","o2267","","10.1107/S1600536812028887","","","0.71073","MoKα","","0.063","0.0465","","","0.1012","0.1089","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235384","20.3043","0.0008","6.8811","0.0003","32.2244","0.0012","90","","98.478","0.004","90","","4453.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4E)-N-[(2-Chlorophenyl)methoxy]-1,3-dimethyl-2,6- diphenylpiperidin-4-imine","","- C26 H27 Cl N2 O -","- C26 H27 Cl N2 O -","- C208 H216 Cl8 N16 O8 -","8","1","BT5958","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","(4E)-N-[(2-Chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","7","o2268","","10.1107/S1600536812028899","","","0.71073","MoKα","","0.0668","0.045","","","0.1036","0.1176","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235385","10.174","0.002","15.086","0.004","11.714","0.003","90","","113.596","0.003","90","","1647.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isatin","1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","BX2411","Ikotun, Adebomi A.; Adelani, Pius O.; Egharevba, Gabriel O.","1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one","Acta Crystallographica Section E","2012","68","7","o2098","","10.1107/S1600536812024506","","","0.71073","MoKα","","0.0727","0.0417","","","0.0955","0.1047","","","","","","0.923","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235386","7.5728","0.0002","10.2268","0.0002","11.2858","0.0002","63.357","0.001","84.021","0.001","71.194","0.001","738.68","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","rac-2-[(2-Chlorophenyl)(4-chlorophenyl)methyl]-1,3-dioxolane","","- C16 H14 Cl2 O2 -","- C16 H14 Cl2 O2 -","- C32 H28 Cl4 O4 -","2","1","BX2412","Maluf, Daniela F.; dos Santos, Sailer S.; Gatto, Claudia C.; Oliveira, Brás H. de","rac-2-[(2-Chlorophenyl)(4-chlorophenyl)methyl]-1,3-dioxolane","Acta Crystallographica Section E","2012","68","7","o2008","o2009","10.1107/S1600536812023781","","","0.71073","MoKα","","0.0509","0.0402","","","0.1093","0.1173","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235387","15.5855","0.0005","13.0261","0.0004","21.4979","0.0006","90","","109.068","0.001","90","","4125","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)","","- C48 H34 Fe N10 O4 -","- C48 H34 Fe N10 O4 -","- C192 H136 Fe4 N40 O16 -","4","1","BX2413","Cai, Zhan-Mao; Zhan, Shu-Zhong","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) bis(1,1-dicyano-2-ethoxy-2-oxoethanide)","Acta Crystallographica Section E","2012","68","7","m956","","10.1107/S1600536812026967","","","0.71073","MoKα","","0.1124","0.0546","","","0.1277","0.1558","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235388","12.8272","0.0019","9.2273","0.001","8.4114","0.0013","90","","93.809","0.002","90","","993.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloroanilinium 2-carboxyacetate","","- C9 H10 Cl N O4 -","- C9 H10 Cl N O4 -","- C36 H40 Cl4 N4 O16 -","4","1","BX2414","Zhao, Min-Min","4-Chloroanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","7","o2079","","10.1107/S1600536812025469","","","0.71073","MoKα","","0.0403","0.0339","","","0.0842","0.0877","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235389","5.7443","0.0008","21.558","0.003","9.0075","0.0011","90","","95.074","0.006","90","","1111.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,2'-((1E,1'E)-(((2S,3S)-1,4-dioxaspiro[4.5]decane-2,3-diylbis(methylene)) bis(azanylylidene))bis(methanylylidene))diphenol","2-[(E)-({3-[(E)-(2-Hydroxybenzylidene)aminomethyl]- 1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","BX2417","Jiang, Yan; Wang, Lili; Bian, Jing; Du, Xiaoying; Sun, Xiaoqiang","2-[(E)-({3-[(E)-(2-Hydroxybenzylidene)aminomethyl]-1,4-dioxaspiro[4.5]decan-2-yl}methyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2296","","10.1107/S1600536812029182","","","0.71073","MoKα","","0.0795","0.0566","","","0.152","0.1687","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235390","9.8047","0.0016","12.865","0.002","10.7623","0.0017","90","","100.113","0.002","90","","1336.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-[(2-Hydroxyethyl)amino]-7H-dibenzo[de,h]quinolin-7-one","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","CV5299","Tang, Huang; Wang, Zhi-Yu; Liu, Yan-Cheng","6-[(2-Hydroxyethyl)amino]-7H-dibenzo[de,h]quinolin-7-one","Acta Crystallographica Section E","2012","68","7","o2004","","10.1107/S1600536812024440","","","0.71073","MoKα","","0.0496","0.041","","","0.1167","0.1238","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235391","7.4529","0.0015","7.7925","0.0016","11.489","0.002","84.42","0.03","84.29","0.03","70.3","0.03","623.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C26 H22 N2 O10 -","2","1","CV5304","Yu, Chua-Hua","Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)","Acta Crystallographica Section E","2012","68","7","o1989","","10.1107/S1600536812023914","","","0.71073","MoKα","","0.0977","0.0544","","","0.1414","0.1736","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235392","10.635","0.003","10.888","0.003","11.31","0.003","96.838","0.001","109.213","0.001","116.017","0.003","1056.5","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","3-Diethylcarbamoyl-2',4'-difluorobiphenyl-4-yl 2,6-dichloro-5-fluoropyridine-3-carboxylate","","- C23 H17 Cl2 F3 N2 O3 -","- C23 H17 Cl2 F3 N2 O3 -","- C46 H34 Cl4 F6 N4 O6 -","2","1","CV5305","Xia, Chun-nian; Zhou, Yu; Chen, You-bao; Zhong, Guang-xiang","3-Diethylcarbamoyl-2',4'-difluorobiphenyl-4-yl 2,6-dichloro-5-fluoropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2047","","10.1107/S1600536812025354","","","0.71073","MoKα","","0.0444","0.0342","","","0.0773","0.0816","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235393","7.8516","0.0013","8.1466","0.0013","21.158","0.003","86.668","0.002","85.806","0.002","79.772","0.002","1326.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N'-(3-Fluorobenzylidene)-2-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C60 H52 F4 N8 O4 -","4","2","CV5308","Song, Ying; Zhao, Jian-Long; Wang, Jan-Gang; Lu, Fei; Lu, Hong; Li, Shi-Peng","N'-(3-Fluorobenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2074","","10.1107/S1600536812025548","","","0.71073","MoKα","","0.049","0.0413","","","0.1176","0.1259","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235394","8.0835","0.0004","12.2153","0.0005","14.471","0.0006","90","","101.208","0.001","90","","1401.65","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(pyridin-2-yl) selenide-κ^2^N,N']tetrachloridotin(IV)","","- C10 H8 Cl4 N2 Se Sn -","- C10 H8 Cl4 N2 Se Sn -","- C40 H32 Cl16 N8 Se4 Sn4 -","4","1","CV5309","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","[Bis(pyridin-2-yl) selenide-κ^2^N,N']tetrachloridotin(IV)","Acta Crystallographica Section E","2012","68","7","m983","","10.1107/S160053681202586X","","","0.71073","MoKα","","0.0285","0.0252","","","0.0553","0.0578","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235395","11.063","0.002","10.153","0.002","22.159","0.004","90","","98.73","0.03","90","","2460.1","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- yl)iminomethyl]-2-methoxyphenyl 4-chlorobenzenesulfonate","","- C25 H22 Cl N3 O5 S -","- C25 H22 Cl N3 O5 S -","- C100 H88 Cl4 N12 O20 S4 -","4","1","CV5310","Lei, Tian-Xiang","(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminomethyl]-2-methoxyphenyl 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2110","","10.1107/S160053681202627X","","","0.71073","MoKα","","0.0794","0.0562","","","0.1372","0.1539","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235396","11.108","0.002","14.998","0.003","8.0839","0.0016","90","","104.94","0.03","90","","1301.2","0.5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-Chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","CV5311","Zhang, Hai-Jun; Fan, Chong-Guang; Shi, Lei","5-(2-Chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime","Acta Crystallographica Section E","2012","68","7","o2129","","10.1107/S1600536812026530","","","0.71073","MoKα","","0.0932","0.0608","","","0.1409","0.1587","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235397","5.639","0.005","7.958","0.005","12.149","0.005","73.284","0.005","86.896","0.005","88.36","0.005","521.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenazin-5-ium bromide","","- C12 H9 Br N2 -","- C12 H9 Br N2 -","- C24 H18 Br2 N4 -","2","1","CV5312","Zhang, Gong-Xiao; Li, Ping; Dong, Jian; Chen, Hong-Yu","Phenazin-5-ium bromide","Acta Crystallographica Section E","2012","68","7","o2204","","10.1107/S1600536812027869","","","0.71069","MoKα","","0.0435","0.0375","","","0.1012","0.1048","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235398","11.936","0.002","7.3343","0.0015","13.516","0.003","90","","96.43","0.03","90","","1175.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[triaqua(μ~3~-pyridine-2,4,6-tricarboxylato)terbium(III)] monohydrate]","","- C8 H10 N O10 Tb -","- C8 H10 N O10 Tb -","- C32 H40 N4 O40 Tb4 -","4","1","CV5315","Zhu, Hong-lin","Poly[[triaqua(μ~3~-pyridine-2,4,6-tricarboxylato)terbium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","7","m1017","","10.1107/S1600536812028929","","","0.71073","MoKα","","0.0297","0.0284","","","0.0662","0.0669","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235399","9.448","0.0011","23.959","0.003","12.3083","0.0013","90","","110.029","0.002","90","","2617.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ-4,4'-(dimethylsilanediyl)dibenzoato][μ-1,1'-(1,4- phenylene)di-1H-imidazole]zinc] monohydrate]","","- C28 H26 N4 O5 Si Zn -","- C28 H26 N4 O5 Si Zn -","- C112 H104 N16 O20 Si4 Zn4 -","4","1","DS2187","Huang, Guohui; Bei, Yiling","Poly[[[μ-3,3'-(dimethylsilanediyl)dibenzoato][μ-1,1'-(1,4-phenylene)di-1H-imidazole]zinc] monohydrate]","Acta Crystallographica Section E","2012","68","7","m865","m866","10.1107/S1600536812019642","","","0.71073","MoKα","","0.0976","0.0526","","","0.1286","0.1525","","","","","","1.021","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235400","6.307","0.004","12.801","0.007","22.49","0.012","90","","90","","90","","1815.8","1.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","DS2194","Hou, Qing-Gao; Zhao, Chang-Qiu","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","Acta Crystallographica Section E","2012","68","7","o2220","","10.1107/S1600536812027420","","","0.71073","MoKα","","0.0966","0.0586","","","0.1437","0.1601","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235401","6.4192","0.0001","9.9185","0.0002","11.7755","0.0002","100.681","0.001","92.113","0.001","104.168","0.001","711.67","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-5-chloro-2-methyl-1-benzofuran","","- C15 H10 Br Cl O2 S -","- C15 H10 Br Cl O2 S -","- C30 H20 Br2 Cl2 O4 S2 -","2","1","DS2198","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-chloro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2080","","10.1107/S1600536812025846","","","0.71073","MoKα","","0.0338","0.0305","","","0.0794","0.081","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235402","8.1254","0.0002","11.0602","0.0002","32.4813","0.001","90","","90","","90","","2919.05","0.13","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(3R*,4R*,5R*)-2,3-Diphenylisoxazolidine-4,5- diyl]dimethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","EZ2294","Guner, Selahaddin; Şeftalicioglu, Kubra","[(3R*,4R*,5R*)-2,3-Diphenylisoxazolidine-4,5-diyl]dimethanol","Acta Crystallographica Section E","2012","68","7","o2061","","10.1107/S1600536812025032","","","0.71073","MoKα","","0.0885","0.0558","","","0.0985","0.108","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235403","7.3335","0.0013","20.155","0.004","10.445","0.0018","90","","103.325","0.003","90","","1502.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesium(II)disodium] dihydrate]","","- C20 H28 Mg Na2 O26 -","- C20 H28 Mg Na2 O26 -","- C40 H56 Mg2 Na4 O52 -","2","0.25","EZ2296","Zhao, Dan; Liang, Peng; Li, Yan-Feng; Qiu, Sen; Ren, Jun-Ran","Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesiumdisodium] dihydrate]","Acta Crystallographica Section E","2012","68","7","m902","","10.1107/S1600536812024634","","","0.71073","MoKα","","0.0342","0.0297","","","0.0867","0.0893","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235404","10.428","0.013","8.651","0.01","18.4","0.02","90","","91.956","0.016","90","","1659","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dimethylammonium) 3,3'-dicarboxy-5,5'-(5,7,12,14-tetraoxo-6,13- diazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadeca-1,3,8,10,15-pentaene- 6,13-diyl)dibenzoate dihydrate","","- C34 H32 N4 O14 -","- C34 H32 N4 O14 -","- C68 H64 N8 O28 -","2","0.5","FB2246","Xu, Lan-Ping; Qin, Lan; Han, Lei","Bis(dimethylammonium) 3,3'-dicarboxy-5,5'-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadeca-1,3,8,10,15-pentaene-6,13-diyl)dibenzoate dihydrate","Acta Crystallographica Section E","2012","68","7","o2174","o2175","10.1107/S1600536812025470","","","0.71073","MoKα","","0.1223","0.0806","","","0.2226","0.2657","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235405","8.62","0.0005","9.7068","0.0009","13.768","0.0013","79.089","0.008","76","0.006","87.939","0.006","1097.52","0.16","118","2","118","2","","","","","","","","5","P -1","-P 1","2","","7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6- fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","","- C25 H24 F N3 O5 -","- C25 H24 F N3 O5 -","- C50 H48 F2 N6 O10 -","2","1","FB2250","Wang, Shuo; Shan, Guangzhi; Guo, Huiyuan; Liu, Mingliang","7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2264","","10.1107/S1600536812028711","","","1.5418","CuKα","","0.0389","0.0356","","","0.0958","0.0993","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235406","7.848","0.0004","13.716","0.0006","14.4601","0.0007","90","","113.924","0.003","90","","1422.8","0.12","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine- κ^2^N,N'}copper(II))","","- C28 H28 Cl4 Cu2 N4 -","- C28 H28 Cl4 Cu2 N4 -","- C56 H56 Cl8 Cu4 N8 -","2","0.5","FB2253","Khalaj, Mehdi; Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Arash; Lough, Alan J.","A second monoclinic polymorph of di-μ-chlorido-bis(chlorido{2-[(4-ethylphenyl)iminomethyl]pyridine-κ^2^N,N'}copper(II))","Acta Crystallographica Section E","2012","68","7","m920","m921","10.1107/S1600536812026347","","","0.71073","MoKα","","0.068","0.0398","","","0.0892","0.102","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235407","11.6417","0.0009","17.198","0.002","12.774","0.001","90","","115.06","0.01","90","","2316.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole- 2(3H)-thione","","- C24 H32 N4 O S -","- C24 H32 N4 O S -","- C96 H128 N16 O4 S4 -","4","1","FF2070","El-Emam, Ali A.; El-Brollosy, Nasser R.; Attia, Mohamed I.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","5-(Adamantan-1-yl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione","Acta Crystallographica Section E","2012","68","7","o2172","o2173","10.1107/S1600536812027249","","","1.5418","CuKα","","0.1482","0.0709","","","0.1664","0.2188","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235408","12.7663","0.0008","10.9011","0.0007","21.2791","0.0013","90","","104.523","0.003","90","","2866.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cyclohexylammonium acetate‒N,N',N''-tricyclohexylphosphoric triamide (1/1)","","- C26 H53 N4 O3 P -","- C26 H53 N4 O3 P -","- C104 H212 N16 O12 P4 -","4","1","FF2071","Pourayoubi, Mehrdad; Keikha, Mojtaba; Rheingold, Arnold L.; Golen, James A.","Cyclohexylammonium acetate‒N,N',N''-tricyclohexylphosphoric triamide (1/1)","Acta Crystallographica Section E","2012","68","7","o2266","","10.1107/S1600536812028589","","","0.71073","MoKα","","0.0599","0.0437","","","0.108","0.1189","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235409","16.797","0.005","10.197","0.003","17.664","0.005","90","","94.934","0.005","90","","3014.3","1.5","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(6-Hydroxyhexa-2,4-diyn-1-yl)-10H-phenothiazine 5-oxide","","- C18 H13 N O2 S -","- C18 H13 N O2 S -","- C144 H104 N8 O16 S8 -","8","2","FF2072","Tabata, Hideyuki; Okuno, Tsunehisa","10-(6-Hydroxyhexa-2,4-diyn-1-yl)-10H-phenothiazine 5-oxide","Acta Crystallographica Section E","2012","68","7","o2214","","10.1107/S1600536812027511","","","0.71075","MoKα","","","0.05","","","","0.1348","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235410","5.0974","0.0002","16.2774","0.0007","12.5674","0.0006","90","","94.771","0.004","90","","1039.13","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Isocyanophenyl)succinamic acid","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","FJ2512","Burnham, Lauren E.; Gano, Katrina J.; Young, Amber M.; Risley, John M.; Jones, Daniel S.","N-(4-Isocyanophenyl)succinamic acid","Acta Crystallographica Section E","2012","68","7","o2078","","10.1107/S1600536812025226","","","1.54182","CuKα","","0.0478","0.0376","","","","0.0961","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235411","8.7292","0.0008","37.428","0.003","10.1806","0.0009","90","","90","","90","","3326.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.25-hydrate","","- C136 H218 N8 O9 -","- C34 H54.5 N2 O2.25 -","- C136 H218 N8 O9 -","4","0.5","FJ2558","Zhang, Manman; Li, Li; Yuan, Fugen; Qian, Hui","4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.25-hydrate","Acta Crystallographica Section E","2012","68","7","o2123","","10.1107/S1600536812026505","","","0.71073","MoKα","","0.0525","0.0461","","","0.1246","0.1302","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235412","6.9081","0.0005","8.0577","0.0005","17.189","0.0011","90","","101.183","0.003","90","","938.63","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","FJ2562","Fathi, Majda; Fouham, Youssef; Arbib, El Hassan; Lakhrissi, Brahim; Saadi, Mohamed; El Ammari, Lahcen","8-Hydroxy-5-(hydroxymethyl)quinolin-1-ium chloride","Acta Crystallographica Section E","2012","68","7","o1979","o1980","10.1107/S1600536812024233","","","0.71073","MoKα","","0.0505","0.0385","","","0.1153","0.1243","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235413","12.5289","0.0006","10.4157","0.0005","11.0085","0.0005","90","","107.906","0.001","90","","1366.99","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1437 MT_1-6 Ph2CCH2-tz","1-(2,2-Diphenylethyl)-1H-tetrazole","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","FJ2563","Tafili-Kryeziu, Myrvete; Mereiter, Kurt; Linert, Wolfgang; Werner, Franz","1-(2,2-Diphenylethyl)-1H-tetrazole","Acta Crystallographica Section E","2012","68","7","o2231","","10.1107/S1600536812027675","","","0.71073","MoKα","","0.0607","0.0503","","","0.1371","0.1478","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235414","8.7653","0.0002","16.4434","0.0003","13.8895","0.0003","90","","91.715","0.001","90","","2001.02","0.07","446","2","446","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dibromo-1,3-dimethoxy-5-methylbenzene","","- C9 H10 Br2 O2 -","- C9 H10 Br2 O2 -","- C72 H80 Br16 O16 -","8","2","FJ2564","Pawar, Sunayna; Shaikh, Mahidansha; Koorbanally, Neil; Omondi, Bernard; Ramjugernath, Deresh","2,4-Dibromo-1,3-dimethoxy-5-methylbenzene","Acta Crystallographica Section E","2012","68","7","o2062","","10.1107/S1600536812025767","","","0.71073","MoKα","","0.0325","0.0266","","","0.072","0.0763","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235415","13.8388","0.0006","9.1771","0.0004","16.4365","0.0008","90","","90","","90","","2087.44","0.16","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κN^1^)(η^5^- pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","","- C18 H27 B F4 Fe N4 O2 -","- C18 H27 B F4 Fe N4 O2 -","- C72 H108 B4 F16 Fe4 N16 O8 -","4","0.5","FJ2565","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κN^1^)(η^5^-pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m931","","10.1107/S1600536812026360","","","0.71073","MoKα","","0.0451","0.0334","","","0.0897","0.094","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235416","12.9385","0.0004","6.7123","0.0002","13.2959","0.0004","90","","138.664","0.002","90","","762.66","0.05","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine- κN)iron(II) tetrafluoridoborate","","- C10 H12 B Br2 F4 Fe N O2 -","- C10 H12 B Br2 F4 Fe N O2 -","- C20 H24 B2 Br4 F8 Fe2 N2 O4 -","2","1","FJ2567","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Fernandes, Manuel A.","Dicarbonyl(η^5^-cyclopentadienyl)(2,3-dibromopropanamine-κN)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m932","","10.1107/S1600536812025925","","","0.71073","MoKα","","0.03","0.0274","","","0.0721","0.0755","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235417","6.7599","0.0006","8.0885","0.0008","9.7168","0.0009","90.35","0.003","106.731","0.003","99.486","0.003","501.03","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-[4-(1H-imidazol-1-yl)phenyl]ethanone monohydrate","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C22 H24 N4 O4 -","2","1","FJ2569","Ibrahim, Halliru; Bala, Muhammad D.; Omondi, Bernard","1-[4-(1H-imidazol-1-yl)phenyl]ethanone monohydrate","Acta Crystallographica Section E","2012","68","7","o2305","","10.1107/S1600536812029157","","","0.71073","MoKα","","0.0384","0.0355","","","0.0947","0.0982","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235418","6.3822","0.0013","14.142","0.003","17.47","0.004","90","","90","","90","","1576.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-N'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2- hydroxybenzohydrazide monohydrate","","- C15 H15 Br N2 O5 -","- C15 H15 Br N2 O5 -","- C60 H60 Br4 N8 O20 -","4","1","FK2062","Zhao, Shunsheng; Li, Lanlan; Liu, Xiangrong; Feng, Weixu; Lü, Xingqiang","(E)-N'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-hydroxybenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2040","","10.1107/S1600536812024816","","","0.71073","MoKα","","0.1038","0.0446","","","0.0902","0.1309","","","","","","0.903","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235419","9.6314","0.0005","7.7548","0.0003","18.0763","0.0008","90","","95.572","0.002","90","","1343.73","0.11","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylsalicylic acid","2-[(2-Acetoxybenzoyl)oxy]benzoic acid","","- C16 H12 O6 -","- C16 H12 O6 -","- C64 H48 O24 -","4","1","FY2058","Solanko, Katarzyna A.; Bond, Andrew D.","2-[(2-Acetoxybenzoyl)oxy]benzoic acid","Acta Crystallographica Section E","2012","68","7","o2108","","10.1107/S1600536812026475","","","0.71073","MoKα","","0.0469","0.0328","","","0.0738","0.0804","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235420","22.0329","0.0017","11.8675","0.0008","18.4861","0.0014","90","","107.946","0.004","90","","4598.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rac-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5- dihydropyrano[3,2-c]chromene-3,4-dicarboxylate","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C192 H232 N8 O56 -","8","1","FY2059","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","rac-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-c]chromene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2177","","10.1107/S1600536812027596","","","0.71073","MoKα","","0.0597","0.0439","","","0.1166","0.1299","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235421","7.3132","0.0008","9.9385","0.001","10.9902","0.001","72.102","0.011","74.966","0.012","70.74","0.011","706.4","0.14","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^N,O)acetic acid-κO]mercury(II)","","- C12 H11 Br2 Hg N O3 -","- C12 H11 Br2 Hg N O3 -","- C24 H22 Br4 Hg2 N2 O6 -","2","1","GG2082","Song, Rui-Feng; Zhu, Xue-Hua; Wang, Yu-Hong","Dibromido[methyl 2-(quinolin-8-yloxy-κ^2^N,O)acetic acid-κO]mercury(II)","Acta Crystallographica Section E","2012","68","7","m968","","10.1107/S1600536812028085","","","0.71075","MoKα","","0.045","0.0383","","","0.0731","0.0742","","","","","","0.802","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235422","14.6418","0.0003","7.8407","0.0001","20.0645","0.0004","90","","90","","90","","2303.44","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromopyridine-2-carbaldehyde phenylhydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C96 H80 Br8 N24 -","8","1","GG2083","Moreno-Fuquen, Rodolfo; Chaur, Manuel N.; Romero, Elkin L.; Zuluaga, Fabio; Ellena, Javier","6-Bromopyridine-2-carbaldehyde phenylhydrazone","Acta Crystallographica Section E","2012","68","7","o2131","","10.1107/S1600536812026517","","","0.71073","MoKα","","0.0486","0.0386","","","0.1023","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235423","17.4255","0.0003","15.0965","0.0003","11.5354","0.0002","90","","103.008","0.001","90","","2956.68","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3',6'-Bis(diethylamino)-2-(4-oxopent-2-en-2- ylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C33 H38 N4 O3 -","- C33 H38 N4 O3 -","- C132 H152 N16 O12 -","4","1","GG2084","Guo, Chang-Bin; He, Ri-Cai; Li, Ai-Min","(Z)-3',6'-Bis(diethylamino)-2-(4-oxopent-2-en-2-ylamino)spiro[isoindoline-1,9'-xanthen]-3-one","Acta Crystallographica Section E","2012","68","7","o2205","","10.1107/S1600536812027602","","","0.71073","MoKα","","0.0978","0.0546","","","0.1416","0.1647","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235424","24.7989","0.001","3.9976","0.0002","11.3163","0.0005","90","","90","","90","","1121.85","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2E)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","GG2087","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","(2E)-2-(Thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one","Acta Crystallographica Section E","2012","68","7","o2298","","10.1107/S1600536812029169","","","0.71073","MoKα","","0.0398","0.0369","","","0.0935","0.0967","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235425","11.6919","0.0005","10.5844","0.0004","27.323","0.0011","90","","101.226","0.001","90","","3316.6","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Cholesteryl p-ethoxycinnamate","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","","- C38 H56 O3 -","- C38 H56 O3 -","- C152 H224 O12 -","4","2","GK2477","Bugenhagen, Bernhard; Munk, Ariane; Vill, Volkmar; Al-Jasem, Yosef; Thiemann, Thies","Cholest-5-en-3β-yl 3-(4-ethoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2012","68","7","o2064","","10.1107/S160053681202452X","","","0.71073","MoKα","","0.0463","0.0406","","","0.1042","0.1084","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235426","11.8299","0.0005","6.9788","0.0003","12.1306","0.0004","90","","112.765","0.002","90","","923.47","0.06","293","2","293","2","98.6","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Diphenyl-8-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline","","- C23 H14 F3 N3 -","- C23 H14 F3 N3 -","- C46 H28 F6 N6 -","2","1","GK2493","Szlachcic, Paweł; Stadnicka, Katarzyna","1,3-Diphenyl-8-trifluoromethyl-1H-pyrazolo[3,4-b]quinoline","Acta Crystallographica Section E","2012","68","7","o2287","","10.1107/S1600536812028206","","","0.71073","MoKα","","0.0611","0.0442","","0.1037","","0.1037","","","1.051","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235427","6.2217","0.0005","8.3795","0.0006","23.4692","0.0017","90","","90","","90","","1223.56","0.16","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 1-aminonaphtho[2,1-b]furan-2-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","GK2494","Madan, K. S.; Shruthi, E.; Sagar, A. M.; Abdoh, M. M. M; Vaidya, V. P.; Lokanath, N. K.","Ethyl 1-aminonaphtho[2,1-b]furan-2-carboxylate","Acta Crystallographica Section E","2012","68","7","o2114","","10.1107/S1600536812025342","","","0.71073","MoKα","","0.055","0.0445","","","0.1096","0.1167","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235428","12.2996","0.0003","5.4298","0.0001","17.6872","0.0004","90","","103.982","0.002","90","","1146.23","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,5-Bis(hexyloxy)-1,4-phenylene]dithiophene","","- C26 H34 O2 S2 -","- C26 H34 O2 S2 -","- C52 H68 O4 S4 -","2","0.5","GK2496","Teh, Chin Hoong; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Daik, Rusli; Kassim, Mohammad B.","2,2'-[2,5-Bis(hexyloxy)-1,4-phenylene]dithiophene","Acta Crystallographica Section E","2012","68","7","o1976","","10.1107/S160053681202404X","","","1.54178","CuKα","","0.043","0.0398","","","0.1093","0.1133","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235429","8.137","0.008","8.629","0.008","8.761","0.008","84.878","0.01","65.347","0.008","72.571","0.01","533","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κN^5^]manganese(II) tetrahydrate","","- C12 H24 Mn N10 O8 -","- C12 H24 Mn N10 O8 -","- C12 H24 Mn N10 O8 -","1","0.5","GK2497","Qi, Chen; He, Xiang; Shao, Min; Li, Ming-Xing","Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κN^5^]manganese(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m890","","10.1107/S160053681202510X","","","0.71073","MoKα","","0.034","0.0316","","","0.0777","0.0796","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235430","3.8957","0.0002","10.7053","0.0005","11.1421","0.0006","99.167","0.004","95.951","0.004","98.699","0.004","449.56","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4-Fluorophenyl)(1H-pyrrol-2-yl)methanone","","- C11 H8 F N O -","- C11 H8 F N O -","- C22 H16 F2 N2 O2 -","2","1","GK2499","Prakash, V.; Kapoor, Kamini; Shet Prakash, M.; Gupta, Vivek K.; Kant, Rajni","(4-Fluorophenyl)(1H-pyrrol-2-yl)methanone","Acta Crystallographica Section E","2012","68","7","o2073","","10.1107/S1600536812025871","","","0.71073","MoKα","","0.0499","0.0379","","","0.0901","0.0978","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235431","5.8144","0.0004","11.9677","0.0008","14.1019","0.001","85.803","0.006","80.497","0.006","80.434","0.005","953.3","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,4-Dimethoxy-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3- triazol-4-yl]methoxy}benzylidene)aniline","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C42 H44 N8 O6 -","2","1","GK2500","Akkurt, Mehmet; Jarrahpour, Aliasghar; Sharghi, Hashem; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","3,4-Dimethoxy-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)aniline","Acta Crystallographica Section E","2012","68","7","o2127","","10.1107/S1600536812026761","","","0.71073","MoKα","","0.062","0.0406","","","0.0992","0.107","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235432","7.18","0.0004","11.0562","0.0007","27.3932","0.0016","90","","95.138","0.004","90","","2165.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methyl-1-phenyl-4-[(Z)-phenyl(4-acetamidoanilino)methylidene]- 1H-pyrazol-5(4H)-one","","- C25 H22 N4 O2 -","- C25 H22 N4 O2 -","- C100 H88 N16 O8 -","4","1","GK2501","Zhi, Li-Hua; Wang, Yuan","3-Methyl-1-phenyl-4-[(Z)-phenyl(4-acetamidoanilino)methylidene]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","7","o2132","","10.1107/S1600536812026840","","","0.71073","MoKα","","0.0956","0.0526","","","0.1466","0.1693","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235433","3.8889","0.0003","11.1006","0.0011","12.0542","0.0011","101.526","0.005","94.93","0.004","92.057","0.005","507.24","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2,3-Dichlorophenyl)-2-fluoropyridine","","- C11 H6 Cl2 F N -","- C11 H6 Cl2 F N -","- C22 H12 Cl4 F2 N2 -","2","1","GK2505","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","5-(2,3-Dichlorophenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","7","o2180","","10.1107/S1600536812027833","","","0.71073","MoKα","","0.033","0.0275","","","0.0705","0.0745","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235434","20.1842","0.0018","5.738","0.0005","15.5771","0.0014","90","","108.357","0.001","90","","1712.3","0.3","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","c-5-Hydroxy-r-2,c-4-bis(methoxycarbonyl)- t-5-methyl-t-3-(3-nitrophenyl)cyclohexanone","","- C17 H19 N O8 -","- C17 H19 N O8 -","- C68 H76 N4 O32 -","4","1","GO2056","Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A.G.","c-5-Hydroxy-r-2,c-4-bis(methoxycarbonyl)-t-5-methyl-t-3-(3-nitrophenyl)cyclohexanone","Acta Crystallographica Section E","2012","68","7","o2213","","10.1107/S1600536812027377","","","0.71073","MoKα","","0.0448","0.0437","","","0.1115","0.1124","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235435","9.601","0.0019","10.386","0.002","14.625","0.003","77.44","0.03","78.43","0.03","73.92","0.03","1352.4","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-c:4,5-c']diacridine","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","1","GO2057","Lu, Xin-hua; Hu, Jin","6,7,15,16-Tetrahydro-5,14-dibutylbenzo[1,2-c:4,5-c']diacridine","Acta Crystallographica Section E","2012","68","7","o2093","","10.1107/S1600536812025962","","","0.71073","MoKα","","0.1172","0.0583","","","0.1211","0.1472","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235436","9.125","0.0018","12.979","0.003","13.549","0.003","90","","103.85","0.03","90","","1558","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diimidazolium phthalate monohydrate","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C56 H64 N16 O20 -","4","1","GO2058","Yu, Chua-Hua","Diimidazolium phthalate monohydrate","Acta Crystallographica Section E","2012","68","7","o2295","","10.1107/S1600536812028619","","","0.71073","MoKα","","0.0753","0.058","","","0.1306","0.1405","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235437","8.682","0.005","10.299","0.004","17.903","0.005","90","","90","","90","","1600.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","GO2060","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(E)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","7","o2219","","10.1107/S1600536812028140","","","0.71073","MoKα","","0.0594","0.0394","","","0.094","0.1047","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235438","24.488","0.007","6.645","0.002","13.108","0.004","90","","97.16","0.02","90","","2116.3","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(Z)-4-Chloro-N-(1-{2-[3-(4- chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","","- C20 H19 Cl2 N5 O2 S -","- C20 H19 Cl2 N5 O2 S -","- C80 H76 Cl8 N20 O8 S4 -","4","1","GO2061","Adan, Dalina; Sapari, Suhaila; Halim, Siti Nadiah; Yamin, Bohari M.","(Z)-4-Chloro-N-(1-{2-[3-(4-chlorobenzoyl)ureido]ethyl}imidazolidin-2-ylidene)benzamide","Acta Crystallographica Section E","2012","68","7","o2226","","10.1107/S1600536812028218","","","0.71073","MoKα","","0.068","0.0399","","","0.0788","0.09","","","","","","0.933","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235439","5.33","0.0007","8.6935","0.0012","9.9166","0.0013","109.875","0.002","92.154","0.002","101.481","0.002","420.71","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Bis[(methylthio)carbonyl]disulfane","Bis[(methylsulfanyl)carbonyl]disulfane","","- C4 H6 O2 S4 -","- C4 H6 O2 S4 -","- C8 H12 O4 S8 -","2","1","GW2119","Ford, David K.; Young Jr, Victor G.; Barany, George","Bis[(methylsulfanyl)carbonyl]disulfane","Acta Crystallographica Section E","2012","68","7","o2102","","10.1107/S1600536812024750","","","0.71073","MoKα","","0.0228","0.0206","","","0.0533","0.0543","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235440","8.303","0.0017","8.426","0.0017","16.17","0.003","91.1","0.03","95.8","0.03","102.3","0.03","1098.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1-{(Z)-1-[3-(4-Bromophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en- 2-yl}-1H-1,2,4-triazol-4-ium nitrate","","- C20 H19 Br F2 N4 O5 -","- C20 H19 Br F2 N4 O5 -","- C40 H38 Br2 F4 N8 O10 -","2","1","HB6699","Shen, Fei; Guo, Song; Luan, Yuan-yuan; Wang, Kai; Hu, Yong-hong","1-{(Z)-1-[3-(4-Bromophenoxy)propoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate","Acta Crystallographica Section E","2012","68","7","o2010","","10.1107/S1600536812024154","","","0.71073","MoKα","","0.123","0.0632","","","0.1295","0.1515","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235441","10.4755","0.0002","15.8283","0.0003","8.265","0.0002","90","","106.982","0.002","90","","1310.66","0.05","100","0.1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-N'-[(E)-1-(2-oxo-2H-chromen- 3-yl)ethylidene]acetohydrazide","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","1","HB6757","Yusufzai, Samina Khan; Osman, Hasnah; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","2-Cyano-N'-[(E)-1-(2-oxo-2H-chromen-3-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2005","","10.1107/S1600536812019915","","","0.71073","MoKα","","0.0953","0.0569","","","0.1041","0.1201","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235442","14.0633","0.0002","10.0488","0.0001","8.6668","0.0001","90","","100.072","0.0007","90","","1205.91","0.03","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.1]hept-2-en-7-yl 4-bromobenzoate","","- C14 H13 Br O2 -","- C14 H13 Br O2 -","- C56 H52 Br4 O8 -","4","1","HB6776","Lloyd, Barry A.; Arif, Atta M.","Bicyclo[2.2.1]hept-2-en-7-yl 4-bromobenzoate","Acta Crystallographica Section E","2012","68","7","o2209","","10.1107/S1600536812027882","","","0.71073","MoKα","","0.0245","0.0211","","","0.0494","0.0508","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235443","13.9899","0.0006","8.7579","0.001","13.9084","0.0006","90","","99.657","0.009","90","","1679.9","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-chloro-N-methyl-5-phenyl-2,3-dihydro-1H- 1,4-benzodiazepin-2-iminium 4-oxide hydrogen sulfate","","- C16 H16 Cl N3 O5 S -","- C16 H16 Cl N3 O5 S -","- C64 H64 Cl4 N12 O20 S4 -","4","1","HB6784","Diesen, Veronica; Lousada, Cláudio; Fischer, Andreas","A hydrogen sulfate salt of chlordiazepoxide","Acta Crystallographica Section E","2012","68","7","o2091","o2092","10.1107/S1600536812024920","","","0.71073","MoKα","","0.0673","0.0373","","","0.0777","0.0876","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235444","15.3906","0.0006","15.704","0.0007","15.9129","0.0007","89.568","0.003","74.825","0.004","62.98","0.004","3278.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3- (trifluoromethyl)anilino]pyrimidine-5-carbonitrile","","- C23 H20 Cl F3 N4 S -","- C23 H20 Cl F3 N4 S -","- C138 H120 Cl6 F18 N24 S6 -","6","3","HB6786","El-Emam, Ali A.; Al-Deeb, Omar A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2059","o2060","10.1107/S1600536812025895","","","1.54184","CuKα","","0.0912","0.064","","","0.1681","0.1898","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235445","8.856","0.0002","13.8093","0.0004","23.696","0.0007","90","","96.702","0.001","90","","2878.1","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}- κ^4^N,N',N'',N''')mercury(II)]-μ-chlorido- [dichloridomercury(II)]-μ-chlorido]","","- C26 H20 Cl4 Hg2 N6 -","- C26 H20 Cl4 Hg2 N6 -","- C104 H80 Cl16 Hg8 N24 -","4","1","HB6787","Akkurt, Mehmet; Khandar, Ali Akbar; Tahir, Muhammad Nawaz; Hosseini-Yazdi, Seyed Abolfazl; Mahmoudi, Ghodrat","catena-Poly[[(benzil bis{[(pyridin-2-yl)methylidene]hydrazone}-κ^4^N,N',N'',N''')mercury(II)]-μ-chlorido-[dichloridomercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m903","m904","10.1107/S1600536812025718","","","0.71073","MoKα","","0.0477","0.026","","","0.0442","0.0489","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235446","9.4452","0.0003","13.9413","0.0005","9.37059","0.00018","90","","102.145","0.002","90","","1206.29","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C48 H52 Cl4 O16 -","4","1","HB6799","Jia, Guo-Kai; Yuan, Lin; Zhang, Min; Yuan, Xian-You","2-(2-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2037","","10.1107/S1600536812025019","","","1.54184","CuKα","","0.0371","0.0329","","","0.0804","0.084","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235447","11.2911","0.0001","15.4317","0.0002","15.192","0.0002","90","","92.79","0.001","90","","2643.93","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","11-[(E)-Benzylidene]-14-hydroxy-8-phenyl-6-thia-3,13- diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15(23),16,18,20-pentaen-10-one","","- C34 H28 N2 O2 S -","- C34 H28 N2 O2 S -","- C136 H112 N8 O8 S4 -","4","1","HB6800","Kumar, Raju Suresh; Osman, Hasnah; Almansour, Abdulrahman I.; Arshad, Suhana; Razak, Ibrahim Abdul","11-[(E)-Benzylidene]-14-hydroxy-8-phenyl-6-thia-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15(23),16,18,20-pentaen-10-one","Acta Crystallographica Section E","2012","68","7","o2013","o2014","10.1107/S1600536812024270","","","0.71073","MoKα","","0.056","0.0464","","","0.1211","0.1288","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235448","10.9941","0.0003","11.7602","0.0003","24.01","0.0005","90","","98.9169","0.0012","90","","3066.8","0.13","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","Tetraaquabis(thiourea-κS)cadmium(II) triaquatris(thiourea-κS)cadmium(II) disulfate","","- C5 H34 Cd2 N10 O15 S7 -","- C5 H34 Cd2 N10 O15 S7 -","- C20 H136 Cd8 N40 O60 S28 -","4","2","HB6807","Parvez, Masood; Jalilehvand, Farideh; Amini, Zahra","Tetraaquabis(thiourea-κS)cadmium(II) triaquatris(thiourea-κS)cadmium(II) disulfate","Acta Crystallographica Section E","2012","68","7","m949","m950","10.1107/S1600536812026682","","","0.71073","MoKα","","0.0565","0.0469","","","0.091","0.0992","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235449","9.6931","0.0005","24.5636","0.0012","11.7095","0.0006","90","","103.745","0.001","90","","2708.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-[({[(6-chloropyridin-3-yl)methyl](methyl)amino}(4- fluoroanilino)methylidene)amino]-3-phenyl-2-sulfanylidene- 2,3-dihydro-1,3-thiazole-5-carboxylate","","- C26 H23 Cl F N5 O2 S2 -","- C26 H23 Cl F N5 O2 S2 -","- C104 H92 Cl4 F4 N20 O8 S8 -","4","1","HB6808","He, Hai-Feng; He, Hong-Wu; Liang, Ying; Yang, Zi-Wen","Ethyl 4-[({[(6-chloropyridin-3-yl)methyl](methyl)amino}(4-fluoroanilino)methylidene)amino]-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","7","o2281","","10.1107/S1600536812026311","","","0.71073","MoKα","","0.0893","0.0612","","","0.1587","0.1717","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235450","10.033","0.004","16.597","0.002","8.007","0.003","90","","105.07","0.02","90","","1287.5","0.7","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-azoniapentane-1,5-diaminium) cyclohexaphosphate dihydrate","","- C8 H36 N6 O20 P6 -","- C8 H36 N6 O20 P6 -","- C16 H72 N12 O40 P12 -","2","0.5","HB6809","Khedhiri, Lamia; Akriche, Samah; Al-Deyab, Salem S.; Rzaigui, Mohamed","Bis(3-azoniapentane-1,5-diaminium) cyclohexaphosphate dihydrate: a monoclinic polymorph","Acta Crystallographica Section E","2012","68","7","o2038","o2039","10.1107/S1600536812025172","","","0.56087","AgKα","","0.0457","0.0341","","","0.0933","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235451","9.1139","0.0003","17.4562","0.0006","12.9246","0.0004","90","","118.64","0.002","90","","1804.64","0.11","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1- ylimino)thiazolidin-4-one","","- C21 H19 Cl N2 O S -","- C21 H19 Cl N2 O S -","- C84 H76 Cl4 N8 O4 S4 -","4","1","HB6814","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(Z)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1-ylimino)thiazolidin-4-one","Acta Crystallographica Section E","2012","68","7","o1999","o2000","10.1107/S1600536812024294","","","0.71073","MoKα","","0.0356","0.0299","","","0.0785","0.083","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235452","7.0651","0.0004","9.3943","0.0005","10.5943","0.0006","81.433","0.001","76.343","0.001","71.697","0.001","646.58","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis[N-(pyridin-4-yl)isonicotinamide- κN]bis(thiocyanato-κN)cobalt(II)","","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","- C24 H22 Co N8 O4 S2 -","1","0.5","HB6817","Uebler, Jacob W.; LaDuca, Robert L.","Diaquabis[N-(pyridin-4-yl)isonicotinamide-κN]bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","7","m867","","10.1107/S1600536812024105","","","0.71073","MoKα","","0.0324","0.0305","","","0.0769","0.0786","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235453","10.406","0.003","17.299","0.005","15.858","0.004","90","","103.719","0.005","90","","2773.2","1.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-[(2-Bromobenzylidene)amino]-3-(pyridin-4-yl)-1H-1,2,4-triazole- 5(4H)-thione","","- C14 H10 Br N5 S -","- C14 H10 Br N5 S -","- C112 H80 Br8 N40 S8 -","8","1","HB6820","Gao, Wei; Li, Xian; Wang, Xin-Ling; Yang, Jing; Wu, Xue-Fen","4-[(2-Bromobenzylidene)amino]-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","7","o1996","","10.1107/S1600536812024439","","","0.71073","MoKα","","0.0386","0.0297","","","0.0839","0.0868","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235454","9.2514","0.0006","5.19","0.0003","20.5873","0.0013","90","","95.07","0.002","90","","984.63","0.11","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(4-Methylphenyl)sulfonyl]acetamide","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C36 H44 N4 O12 S4 -","4","1","HB6824","Fun, Hoong-Kun; Chia, Tze Shyang; Hegde, Poornima; Jyothi, K.; D'Souza, Pramila Rita","N-[(4-Methylphenyl)sulfonyl]acetamide","Acta Crystallographica Section E","2012","68","7","o2025","","10.1107/S1600536812024658","","","0.71073","MoKα","","0.0422","0.0315","","","0.0799","0.0863","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235455","29.5126","0.0011","6.8703","0.0003","28.2167","0.0013","90","","102.986","0.003","90","","5574.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ethoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C256 H272 N16 O32 -","16","2","HB6825","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed","2-Ethoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","7","o2011","","10.1107/S1600536812024798","","","0.71073","MoKα","","0.1749","0.0635","","","0.1302","0.1807","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235456","9.4573","0.0001","16.6662","0.0003","13.8812","0.0002","90","","122.665","0.001","90","","1841.88","0.05","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3- thiazolidin-4-one","","- C21 H19 Br N2 O S -","- C21 H19 Br N2 O S -","- C84 H76 Br4 N8 O4 S4 -","4","1","HB6826","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(Z)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","7","o1994","","10.1107/S1600536812024646","","","0.71073","MoKα","","0.0352","0.0271","","","0.0667","0.0694","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235457","6.121","0.0012","18.134","0.004","7.0006","0.0014","90","","90.22","0.03","90","","777","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Piperazine-1,4-diium (R)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","HB6827","Ye, Han-Tao; Ren, Chang-Yue; Gao, Jin-Sheng","Piperazine-1,4-diium (R)-2-[4-(1-carboxylatomethoxy)phenoxy]propanoate","Acta Crystallographica Section E","2012","68","7","o2159","","10.1107/S1600536812027213","","","0.71073","MoKα","","0.033","0.0289","","","0.0727","0.0743","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235458","17.2712","0.0003","7.7141","0.0001","21.3157","0.0004","90","","95.245","0.002","90","","2828.04","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-4-[(E)-(2,6-difluorobenzylidene)amino]-1-[(4- phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione","","- C30 H34 F2 N6 S -","- C30 H34 F2 N6 S -","- C120 H136 F8 N24 S4 -","4","1","HB6828","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-[(E)-(2,6-difluorobenzylidene)amino]-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","7","o2031","","10.1107/S1600536812025135","","","1.54184","CuKα","","0.0649","0.0533","","","0.1479","0.1607","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235459","13.796","0.002","8.412","0.002","24.004","0.003","90","","90","","90","","2785.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","HB6829","Shen, Tong; Li, Guoli; Zheng, Bin","N'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2034","","10.1107/S1600536812025688","","","0.71073","MoKα","","0.1545","0.0676","","","0.1257","0.1586","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235460","15.4597","0.0016","12.7864","0.0012","20.312","0.002","90","","90","","90","","4015.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C144 H208 N16 O64 -","16","2","HB6830","Zong, Qian-Shou; Wu, Jian-Yi","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","Acta Crystallographica Section E","2012","68","7","o2036","","10.1107/S1600536812025263","","","0.7107","MoKα","","0.1018","0.0837","","","0.1672","0.1751","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235461","18.6703","0.0005","7.6203","0.0002","13.3756","0.0003","90","","98.006","0.003","90","","1884.44","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","HB6831","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate","Acta Crystallographica Section E","2012","68","7","o2052","o2053","10.1107/S1600536812025147","","","1.54184","CuKα","","0.0437","0.0399","","","0.1045","0.1077","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235462","15.63","0.005","10.003","0.004","22.122","0.005","90","","110.657","0.005","90","","3236.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1H-Benzimidazol-2-yl)-N-[(E)- (dimethylamino)methylidene]benzenesulfonamide","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C128 H128 N32 O16 S8 -","8","2","HB6832","Ashraf, Adnan; Tahir, M. Nawaz; Siddiqui, Waseeq Ahmad; Perveen, Nadia","2-(1H-Benzimidazol-2-yl)-N-[(E)-(dimethylamino)methylidene]benzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2069","","10.1107/S1600536812025159","","","0.71073","MoKα","","0.1303","0.0592","","","0.1274","0.1589","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235463","20.365","0.002","3.8303","0.0003","11.4835","0.0014","90","","90","","90","","895.76","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Fluoro-5-(4-fluorophenyl)pyridine","","- C11 H7 F2 N -","- C11 H7 F2 N -","- C44 H28 F8 N4 -","4","1","HB6833","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz; Langer, Peter; Ahmad, Saeed","2-Fluoro-5-(4-fluorophenyl)pyridine","Acta Crystallographica Section E","2012","68","7","o2070","","10.1107/S1600536812025160","","","0.71073","MoKα","","0.0468","0.0299","","","0.0641","0.0724","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235464","9.7252","0.0005","13.9535","0.0006","14.0829","0.0008","118.019","0.005","104.24","0.005","90.089","0.004","1619.84","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaqua[3-(pyridin-4-yl)benzoato- κ^2^O,O']gadolinium(III)]-bis[μ-3-(pyridin-4-yl)benzoato- κ^2^O:O']] monohydrate]","","- C36 H30 Gd N3 O9 -","- C36 H30 Gd N3 O9 -","- C72 H60 Gd2 N6 O18 -","2","1","HB6834","Li, Dong-Ying; Li, Guo-Ting","catena-Poly[[[diaqua[3-(pyridin-4-yl)benzoato-κ^2^O,O']gadolinium(III)]-bis[μ-3-(pyridin-4-yl)benzoato-κ^2^O:O']] monohydrate]","Acta Crystallographica Section E","2012","68","7","m928","m929","10.1107/S1600536812026153","","","0.71073","MoKα","","0.0324","0.0247","","","0.0578","0.0613","","","","","","1.047","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2235465","19.8712","0.0016","12.1917","0.001","16.733","0.002","90","","121.188","0.004","90","","3467.9","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]- 3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C160 H136 N24 O32 -","8","1","HB6835","Chaudhry, Faryal; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Asif, Nadia","(4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","7","o2044","","10.1107/S1600536812025238","","","0.71073","MoKα","","0.116","0.0522","","","0.116","0.1426","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235466","10.4267","0.0004","16.6554","0.0007","8.0961","0.0003","90","","109.61","0.001","90","","1324.43","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","HB6836","Mukhtar, Asma; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Khan, Muhammad Naeem","Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2042","","10.1107/S160053681202524X","","","0.71073","MoKα","","0.058","0.0396","","","0.0935","0.1053","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235467","7.1446","0.0001","8.8075","0.0001","17.3274","0.0002","90","","111.942","0.001","90","","1011.36","0.02","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C40 H36 N12 O8 S4 -","4","1","HB6837","Fun, Hoong-Kun; Arshad, Suhana; Nithinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate","Acta Crystallographica Section E","2012","68","7","o2067","","10.1107/S1600536812025305","","","0.71073","MoKα","","0.0573","0.0417","","","0.0988","0.1077","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235468","8.5604","0.0006","9.3481","0.0007","11.7443","0.001","105.121","0.003","99.748","0.002","110.806","0.003","811.59","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetrahydro-1-benzothiophene- 3-carboxylate","","- C17 H18 N2 O3 S -","- C17.004 H18.009 N2 O3 S -","- C34.008 H36.018 N4 O6 S2 -","2","1","HB6838","Mukhtar, Asma; Tahir, M. Nawaz; Khan, Misbahul Ain; Ather, Abdul Qayyum; Sajid, Naveed","Ethyl 2-(pyridine-4-carboxamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2041","","10.1107/S1600536812025251","","","0.71073","MoKα","","0.0847","0.0452","","","0.0973","0.1158","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235469","7.6586","0.0004","10.7334","0.0006","11.5772","0.0004","69.437","0.004","81.546","0.003","72.736","0.004","849.93","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κO)(acetato-κ^2^O,O')[2-(3,5-dimethyl-\ 1H-pyrazol-1-yl-κN^2^)quinoline-κN]zinc(II)","","- C18 H19 N3 O4 Zn -","- C18 H19 N3 O4 Zn -","- C36 H38 N6 O8 Zn2 -","2","1","HB6839","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","(Acetato-κO)(acetato-κ^2^O,O')[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)quinoline-κN]zinc(II)","Acta Crystallographica Section E","2012","68","7","m897","m898","10.1107/S1600536812025664","","","1.54184","CuKα","","0.0313","0.0295","","","0.0792","0.0812","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235470","19.345","0.003","6.487","0.0013","21.145","0.003","90","","97.617","0.014","90","","2630.1","0.8","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl α-L-rhamnosyl-(1→2)[α-L-rhamnosyl- (1→3)]-α-L-rhamnoside pentahydrate","","- C19 H44 O18 -","- C19 H44 O18 -","- C76 H176 O72 -","4","1","HB6841","Eriksson, Lars; Widmalm, Göran","Methyl α-L-rhamnosyl-(1\ρightarrow 2)[α-L-rhamnosyl-(1\ρightarrow 3)]-α-L-rhamnoside pentahydrate: synchrotron study","Acta Crystallographica Section E","2012","68","7","o2221","o2222","10.1107/S1600536812027390","","","0.897","synchrotron","","0.0365","0.0334","","","0.0859","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235471","7.2956","0.0004","9.8463","0.0005","21.7489","0.0011","90","","90","","90","","1562.32","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κN]hydrazin-1- ylidene-κN^1^}ethyl)phenolato-κO](pyridine-κN)nickel(II)","","- C16 H18 N4 Ni O S -","- C16 H18 N4 Ni O S -","- C64 H72 N16 Ni4 O4 S4 -","4","1","HB6842","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κN]hydrazin-1-ylidene-κN^1^}ethyl)phenolato-κO](pyridine-κN)nickel(II)","Acta Crystallographica Section E","2012","68","7","m911","","10.1107/S1600536812026177","","","0.71073","MoKα","","0.0509","0.0397","","","0.0698","0.075","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235472","11.8193","0.0004","4.9841","0.0002","17.4985","0.0006","90","","91.453","0.003","90","","1030.48","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one","","- C10 H7 N3 O S2 -","- C10 H7 N3 O S2 -","- C40 H28 N12 O4 S8 -","4","1","HB6843","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Swaidan, Ibrahim A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one","Acta Crystallographica Section E","2012","68","7","o2134","","10.1107/S1600536812026189","","","1.54184","CuKα","","0.0317","0.029","","","0.0795","0.0817","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235473","17.0666","0.0006","8.7147","0.0003","7.9931","0.0002","90","","90","","90","","1188.82","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","4-(3-Fluoroanilino)thieno[2,3-b]pyridine-6-carboxylic acid","","- C14 H9 F N2 O2 S -","- C14 H9 F N2 O2 S -","- C56 H36 F4 N8 O8 S4 -","4","1","HB6844","Pinheiro, Luiz C. S.; Bernardino, Alice M. R.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","4-(3-Fluoroanilino)thieno[2,3-b]pyridine-6-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o2217","o2218","10.1107/S1600536812027195","","","0.71073","MoKα","","0.0432","0.0353","","","0.0841","0.0872","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2235474","7.9487","0.0002","9.8939","0.0003","13.4348","0.0004","90","","106.143","0.002","90","","1014.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","HB6845","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun","Ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2111","","10.1107/S1600536812026268","","","1.54178","CuKα","","0.0395","0.0369","","","0.1013","0.1039","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235475","12.275","0.003","7.4343","0.0011","19.328","0.003","90","","90","","90","","1763.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2-Fluoropyridin-5-yl)phenol","","- C11 H8 F N O -","- C11 H8 F N O -","- C88 H64 F8 N8 O8 -","8","1","HB6846","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","4-(2-Fluoropyridin-5-yl)phenol","Acta Crystallographica Section E","2012","68","7","o2124","","10.1107/S1600536812026499","","","0.71073","MoKα","","0.1282","0.0512","","","0.0962","0.123","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235476","8.6665","0.0005","9.7612","0.0004","10.1328","0.0005","108.181","0.003","101.561","0.002","103.217","0.003","757.83","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-3-(2-Methoxybenzyl)-1,5-benzothiazepin-4(5H)-one","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","HB6847","Selvakumar, R.; Bakthadoss, M.; Lakshmanan, D.; Murugavel, S.","(Z)-3-(2-Methoxybenzyl)-1,5-benzothiazepin-4(5H)-one","Acta Crystallographica Section E","2012","68","7","o2126","","10.1107/S160053681202661X","","","0.71073","MoKα","","0.0749","0.0464","","","0.1225","0.1456","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235477","8.0411","0.0003","9.7243","0.0003","12.0849","0.0004","73.387","0.003","84.465","0.003","86.077","0.003","900.47","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κN]hydrazin-1-ylidene- κN^1^}ethyl)phenolato-κO](dimethyl sulfoxide-κO)dioxidomolybdenum(VI)","","- C13 H19 Mo N3 O4 S2 -","- C13 H19 Mo N3 O4 S2 -","- C26 H38 Mo2 N6 O8 S4 -","2","1","HB6848","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κN]hydrazin-1-ylidene-κN^1^}ethyl)phenolato-κO](dimethyl sulfoxide-{κO})dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","7","m944","m945","10.1107/S1600536812026566","","","0.71073","MoKα","","0.0331","0.0297","","","0.0694","0.0719","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235478","8.828","0.0001","10.8519","0.0002","17.7353","0.0002","90","","94.379","0.001","90","","1694.09","0.04","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4- yl)methylidene]hydrazinecarbothioamide","","- C18 H17 N5 O S -","- C18 H17 N5 O S -","- C72 H68 N20 O4 S4 -","4","1","HB6849","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna; Nitinchandra","(2E)-2-[(3-Methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","7","o2146","o2147","10.1107/S1600536812026931","","","0.71073","MoKα","","0.0649","0.0461","","","0.1033","0.1131","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235479","25.0594","0.0004","4.6718","0.0001","12.6166","0.0002","90","","99.175","0.001","90","","1458.16","0.05","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","N'-[(E)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","HB6850","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","N'-[(E)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2121","","10.1107/S1600536812026724","","","0.71073","MoKα","","0.0245","0.0214","","","0.0476","0.0484","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235480","12.7018","0.0015","10.2689","0.0012","7.4695","0.0008","90","","101.067","0.007","90","","956.15","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Methoxyphenyl)-1H-pyrrole-2,5-dione","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","HB6853","Sirajuddin, Muhammad; Ali, Saqib; Tahir, M. Nawaz","1-(2-Methoxyphenyl)-1H-pyrrole-2,5-dione","Acta Crystallographica Section E","2012","68","7","o2282","","10.1107/S1600536812026888","","","0.71073","MoKα","","0.071","0.0407","","","0.0952","0.112","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235481","15.1982","0.0002","8.2416","0.0001","10.79","0.0001","90","","101.173","0.001","90","","1325.91","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Hydroxy-N'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","HB6854","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(E)-4-Hydroxy-N'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2279","","10.1107/S1600536812027201","","","0.71073","MoKα","","0.053","0.0427","","","0.1112","0.1218","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235482","6.3546","0.0001","13.4894","0.0002","19.1921","0.0003","90","","90","","90","","1645.14","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR*,8aS*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","HB6855","Chen, W.; Tang, K.-S.; Fan, L.-Y.","(4aR*,8aS*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","Acta Crystallographica Section E","2012","68","7","o2212","","10.1107/S1600536812028061","","","1.54178","CuKα","","0.0359","0.0355","","","0.0986","0.0989","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235483","10.7908","0.0007","10.4672","0.0005","25.8714","0.0017","90","","90","","90","","2922.2","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Formyl-6-methoxyphenyl cinnamate","","- C17 H14 O4 -","- C17 H14 O4 -","- C136 H112 O32 -","8","1","HB6858","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","2-Formyl-6-methoxyphenyl cinnamate","Acta Crystallographica Section E","2012","68","7","o2167","","10.1107/S160053681202747X","","","0.71073","MoKα","","0.0592","0.0368","","","0.0922","0.106","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235484","24.2707","0.0017","5.1322","0.0002","10.5192","0.0004","90","","90","","90","","1310.29","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop- 2-enohydrazide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HB6860","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide","Acta Crystallographica Section E","2012","68","7","o2253","o2254","10.1107/S1600536812028516","","","0.71073","MoKα","","0.03","0.0283","","","0.0735","0.0749","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235485","11.473","0.019","7.507","0.013","30.5","0.05","90","","90","","90","","2627","8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-N'-[(E)-Benzylidene]-3-phenylprop-2-enohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","HB6861","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2E)-N'-[(E)-Benzylidene]-3-phenylprop-2-enohydrazide from synchrotron radiation","Acta Crystallographica Section E","2012","68","7","o2255","o2256","10.1107/S1600536812028504","","","0.6943","synchrotron","","0.0679","0.0486","","","0.1262","0.1402","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235486","11.4809","0.0009","22.2091","0.0016","3.6978","0.0006","90","","91.304","0.01","90","","942.62","0.18","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","0.5","HB6862","Chin, Yee Jan; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","7","o2293","o2294","10.1107/S1600536812028309","","","0.71073","MoKα","","0.0773","0.0586","","","0.1504","0.1633","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235487","8.4091","0.0003","11.4745","0.0004","16.8098","0.0006","73.674","0.001","79.066","0.001","68.634","0.001","1442.67","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)ethane- κ^2^P,P']dichloridopalladium(II) dimethyl sulfoxide monosolvate","","- C28 H30 Cl2 O P2 Pd S -","- C28 H30 Cl2 O P2 Pd S -","- C56 H60 Cl4 O2 P4 Pd2 S2 -","2","1","HB6864","Warad, Ismail; Aldwayyan, Abdullah S.; Al-Jekhedab, Fahad M.; Choudhary, M. Iqbal; Yousuf, Sammer","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^P,P']dichloridopalladium(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","7","m984","m985","10.1107/S1600536812028310","","","0.71073","MoKα","","0.0315","0.0267","","","0.0661","0.0691","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235488","11.2417","0.0005","7.8381","0.0008","25.3933","0.0018","90","","90","","90","","2237.5","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(benzyloxy)-1H-benzotriazole","1-Benzyloxy-1H-benzotriazole","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","HB6865","Jebas, Samuel Robinson; Selvarathy Grace, P.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyloxy-1H-benzotriazole","Acta Crystallographica Section E","2012","68","7","o2239","","10.1107/S1600536812028395","","","1.54178","CuKα","","0.0607","0.0542","","","0.1567","0.1629","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235489","9.7594","0.0001","13.7946","0.0002","21.8681","0.0003","90","","104.092","0.001","90","","2855.44","0.07","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4- methoxyanilino)methanethiolato)palladium(II) acetone monosolvate","","- C30 H29 Br N3 O2 P Pd S -","- C30 H29 Br N3 O2 P Pd S -","- C120 H116 Br4 N12 O8 P4 Pd4 S4 -","4","1","HB6867","Mokthar, Khalisah Asilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","Bromido({2-[2-(diphenylphosphanyl)benzylidene]hydrazin-1-ylidene}(4-methoxyanilino)methanethiolato)palladium(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","7","m991","m992","10.1107/S1600536812028760","","","0.71073","MoKα","","0.0319","0.0229","","","0.0514","0.0552","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235490","12.2173","0.0007","7.8523","0.0005","15.6025","0.0009","90","","108.577","0.001","90","","1418.82","0.15","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{2-[(E)-(2-Benzoylhydrazin-1-ylidene)methyl]phenoxy}acetic acid","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","HB6868","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","2-{2-[(E)-(2-Benzoylhydrazin-1-ylidene)methyl]phenoxy}acetic acid","Acta Crystallographica Section E","2012","68","7","o2260","o2261","10.1107/S1600536812028735","","","0.71073","MoKα","","0.0489","0.0403","","","0.1163","0.1244","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235491","14.7849","0.0013","9.2643","0.0008","9.7859","0.0008","90","","106.792","0.001","90","","1283.24","0.19","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1H-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","HB6869","Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun","2-[(1H-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone","Acta Crystallographica Section E","2012","68","7","o2262","","10.1107/S1600536812028747","","","0.71073","MoKα","","0.0533","0.041","","","0.0897","0.0959","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235492","7.2681","0.0014","12.361","0.002","10.704","0.002","90","","101.158","0.003","90","","943.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-1-[(Z)-2-phenylhydrazin-1-ylidene]propan-2-one","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","1","HB6870","Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun","1-Chloro-1-[(Z)-2-phenylhydrazin-1-ylidene]propan-2-one","Acta Crystallographica Section E","2012","68","7","o2263","","10.1107/S1600536812028759","","","0.71073","MoKα","","0.0626","0.0487","","","0.1372","0.1478","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235493","10.0878","0.0007","10.2837","0.0005","11.3583","0.0007","94.15","0.005","107.713","0.006","111.065","0.005","1025.32","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Chlorobenzyl)-3-methyl-2,6-diphenylpiperidine","","- C25 H26 Cl N -","- C25 H26 Cl N -","- C50 H52 Cl2 N2 -","2","1","HB6872","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","1-(2-Chlorobenzyl)-3-methyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2012","68","7","o2300","","10.1107/S1600536812029200","","","0.71073","MoKα","","0.1234","0.0738","","","0.1577","0.1852","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235494","13.494","0.0006","17.3005","0.0006","18.5078","0.0006","90","","100.892","0.004","90","","4242.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine","","- C26 H28 Cl N -","- C26 H28 Cl N -","- C208 H224 Cl8 N8 -","8","2","HB6873","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2012","68","7","o2301","o2302","10.1107/S1600536812029212","","","0.71073","MoKα","","0.0753","0.0495","","","0.1097","0.1248","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235495","8.5441","0.0005","8.6018","0.0005","9.5626","0.0006","67.913","0.001","77.928","0.001","67.837","0.001","601.25","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","3,3'-Diethyl-1,1'-(1,4-phenylenedimethylene)diimidazol-3-ium bis(hexafluorophosphate)","","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","1","0.5","HB6877","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Diethyl-1,1'-(1,4-phenylenedimethylene)diimidazol-3-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","7","o2280","","10.1107/S1600536812028966","","","0.71073","MoKα","","0.0708","0.0529","","","0.1531","0.1696","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235496","10.3943","0.0002","6.6089","0.0002","10.6563","0.0003","90","","94.982","0.002","90","","729.27","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C28 H32 N4 O8 S2 -","2","1","HG5223","Bhatt, Nilay; Bhatt, Pralav; Vyas, Kartik B.; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Ethyl 2-(3,5-dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","7","o2160","","10.1107/S1600536812024907","","","0.71073","MoKα","","0.0305","0.0265","","","0.0647","0.0668","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235497","12.5695","0.0007","4.4216","0.0003","17.3861","0.0009","90","","106.005","0.006","90","","928.82","0.1","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κN^3^)phenolato- κO^1^]copper(II)","","- C18 H14 Cu N4 O4 S2 -","- C18 H14 Cu N4 O4 S2 -","- C36 H28 Cu2 N8 O8 S4 -","2","0.5","HP2039","Ouilia, Souheila; Beghidja, Chahrazed; Beghidja, Adel; Michaud, François","Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κN^3^)phenolato-κO^1^]copper(II)","Acta Crystallographica Section E","2012","68","7","m943","","10.1107/S1600536812026815","","","0.71073","MoKα","","0.06","0.0328","","","0.0623","0.0664","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235498","17.6689","0.0012","15.076","0.0007","17.9479","0.001","90","","90","","90","","4780.9","0.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(methanol-1κO)tetra-μ-pyridazine- 1:2κ^4^N:N';2:3κ^4^N:N'-di-μ-thiocyanato- 1:2κ^2^N:N;2:3κ^2^N:N-tetrathiocyanato- 1κ^2^N,3κ^2^N-trinickel(II) methanol tetrasolvate","","- C28 H40 N14 Ni3 O6 S6 -","- C28 H40 N14 Ni3 O6 S6 -","- C112 H160 N56 Ni12 O24 S24 -","4","0.5","HP2040","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(methanol-1κO)tetra-μ-pyridazine-1:2κ^4^N:N';2:3κ^4^N:N'-di-μ-thiocyanato-1:2κ^2^N:N;2:3κ^2^N:N-tetrathiocyanato-1κ^2^N,3κ^2^N-trinickel(II) methanol tetrasolvate","Acta Crystallographica Section E","2012","68","7","m940","m941","10.1107/S1600536812026864","","","0.71073","MoKα","","0.058","0.0408","","","0.0978","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235499","8.987","0.003","19.769","0.003","10.305","0.003","90","","90","","90","","1830.8","0.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","catena-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato- κ^4^O:O'] chloride]","","- C12 H16 Cl La N2 O8 -","- C12 H16 Cl La N2 O8 -","- C48 H64 Cl4 La4 N8 O32 -","4","0.5","HY2530","Zhao, Jin-He","catena-Poly[[[tetraaqualanthanum(III)]-di-μ-isonicotinato-κ^4^O:O'] chloride]","Acta Crystallographica Section E","2012","68","7","m972","","10.1107/S1600536812027778","","","0.71073","MoKα","","0.0287","0.0251","","","0.0561","0.0579","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235500","11.1641","0.0004","12.2744","0.0005","13.2265","0.0005","106.924","0.002","99.622","0.003","103.452","0.002","1631.79","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(μ~2~-4-amino-3,5-dimethyl-4H- 1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride","","- C34 H66 Cl4 Co3 N24 O12 S2 -","- C34 H66.006 Cl4 Co3 N24 O12 S2 -","- C34 H66.006 Cl4 Co3 N24 O12 S2 -","1","0.5","HY2535","Gu, Zhi-Guo; Wang, Bao-Xiang; Pang, Chun-Yan; Bao, Fei-Fei","Hexakis(μ~2~-4-amino-3,5-dimethyl-4H-1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride","Acta Crystallographica Section E","2012","68","7","m862","","10.1107/S1600536812020417","","","0.71073","MoKα","","0.0594","0.0475","","","0.1038","0.1078","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235501","8.2957","0.001","22.104","0.003","22.11","0.003","90","","90","","90","","4054.3","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[(1,10-phenanthroline- κ^2^N,N')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)- κ^2^O^1^:O^1'^-di-μ-chlorido]","","- C19 H12 Br Cl2 La N2 O3 -","- C19 H12 Br Cl2 La N2 O3 -","- C152 H96 Br8 Cl16 La8 N16 O24 -","8","1","HY2550","Zhu, Wen-Qing; Wang, Jin-Ping; Yuan, Yu-Kun; Li, Zhuo","catena-Poly[[(1,10-phenanthroline-κ^2^N,N')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)-κ^2^O^1^:O^1'^-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m896","","10.1107/S1600536812025500","","","0.71073","MoKα","","0.0526","0.0344","","","0.0945","0.1247","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235502","7.6411","0.0015","9.3603","0.0019","19.589","0.004","90","","90","","90","","1401.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[(ethanediol-κ^2^O,O')zinc]-μ-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^]","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C32 H48 O48 Zn8 -","8","1","HY2552","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","catena-Poly[[(ethanediol-κ^2^O,O')zinc]-μ-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^]","Acta Crystallographica Section E","2012","68","7","m868","","10.1107/S1600536812024361","","","0.71073","MoKα","","0.0582","0.0427","","","0.1215","0.1327","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235503","13.067","0.003","20.377","0.004","7.281","0.0015","90","","109.03","0.03","90","","1832.7","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate","","- C15 H17 Cl4 Fe N2 O -","- C15 H17 Cl4 Fe N2 O -","- C60 H68 Cl16 Fe4 N8 O4 -","4","0.5","HY2554","Bahojb Noruzi, Ehsan; Safari, Nasser; Amani, Vahid; Notash, Behrouz","2,9-Dimethyl-1,10-phenanthrolin-1-ium tetrachloridoferrate(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","7","m905","","10.1107/S1600536812025111","","","0.71073","MoKα","","0.0586","0.0448","","","0.094","0.0986","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235504","6.6148","0.0009","18.463","0.002","29.286","0.003","90","","90","","90","","3576.7","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methanol-κO)(methanolato-κO)oxido[N-(2- oxidobenzylidene)isoleucinato-κ^3^O,N,O']vanadium(V)","","- C15 H22 N O6 V -","- C15 H22 N O6 V -","- C120 H176 N8 O48 V8 -","8","2","HY2555","Wang, Chengyuan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","(Methanol-κO)(methanolato-κO)oxido[N-(2-oxidobenzylidene)isoleucinato-κ^3^O,N,O']vanadium(V)","Acta Crystallographica Section E","2012","68","7","m982","","10.1107/S1600536812028231","","","0.71073","MoKα","","0.163","0.0922","","","0.1925","0.2151","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235505","8.0102","0.001","16.862","0.002","10.5164","0.0012","90","","93.203","0.002","90","","1418.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]","","- C8 H21 Al N2 O8 P2 -","- C8 H21 Al N2 O8 P2 -","- C32 H84 Al4 N8 O32 P8 -","4","1","HY2556","Liang, Li-Li","catena-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]","Acta Crystallographica Section E","2012","68","7","m986","","10.1107/S1600536812028826","","","0.71073","MoKα","","0.0588","0.0409","","","0.0927","0.0984","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235506","10.8942","0.0009","11.6784","0.001","12.2866","0.0011","90","","95.772","0.005","90","","1555.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III)","","- C12 H13 Au Cl4 N2 -","- C12 H13 Au Cl4 N2 -","- C48 H52 Au4 Cl16 N8 -","4","1","HY2560","Zare Dehnavi, Marzieh; Abedi, Anita","6,6'-Dimethyl-2,2'-bipyridin-1-ium tetrachloridoaurate(III)","Acta Crystallographica Section E","2012","68","7","m981","","10.1107/S160053681202853X","","","0.71073","MoKα","","0.0275","0.0228","","","0.0478","0.0493","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235507","7.3075","0.0015","12.416","0.003","12.551","0.003","90","","92.43","0.03","90","","1137.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(ethylenediamine-κ^2^N,N')bis(methanol-κO)copper(II) benzene-1,4-dicarboxylate methanol disolvate","","- C16 H36 Cu N4 O8 -","- C16 H36 Cu N4 O8 -","- C32 H72 Cu2 N8 O16 -","2","0.5","HY2562","Abbaszadeh, Abolfazl; Safari, Nasser; Amani, Vahid; Notash, Behrouz","Bis(ethylenediamine-κ^2^N,N')bis(methanol-κO)copper(II) benzene-1,4-dicarboxylate methanol disolvate","Acta Crystallographica Section E","2012","68","7","m1012","","10.1107/S1600536812028942","","","0.71073","MoKα","","0.0642","0.041","","","0.0786","0.0845","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235508","8.908","0.0005","16.5249","0.0012","18.6981","0.0013","90","","90","","90","","2752.4","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{(S)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2- carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2-)- κ^4^N,N',N'',O^1^}nickel(II)","","- C35 H29 N3 Ni O3 -","- C35 H29 N3 Ni O3 -","- C140 H116 N12 Ni4 O12 -","4","1","IM2378","Padělková, Zdeňka; Popkov, Alexander; Nádvorník, Milan","{(S)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2-carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2{-})-κ^4^N,N',N'',O^1^}nickel(II)","Acta Crystallographica Section E","2012","68","7","m954","m955","10.1107/S1600536812026827","","","0.71073","MoKα","","0.0674","0.0438","","","0.0755","0.0867","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235509","9.7821","0.0004","7.962","0.0003","11.5472","0.0004","90","","109.837","0.002","90","","845.99","0.06","98","2","98","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4R,5S)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]- 1,3-oxazolidin-2-one","","- C6 H11 N O3 S -","- C6 H11 N O3 S -","- C24 H44 N4 O12 S4 -","4","1","IM2379","Gainsford, Graeme J.; Clinch, Keith","(4R,5S)-4-Hydroxymethyl-5-[(methylsulfanyl)methyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2082","","10.1107/S1600536812025809","","","0.71073","MoKα","","0.0232","0.0223","","","0.0591","0.0597","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235510","11.2255","0.0016","8.4153","0.0013","9.7252","0.0014","90","","92.355","0.002","90","","917.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[tetraaqua(μ~6~-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8- tetracarboxylato)dimanganese(II)]","","- C18 H12 Mn2 O14 -","- C18 H12 Mn2 O14 -","- C36 H24 Mn4 O28 -","2","0.5","IM2383","Xu, Rui; Liu, Jian-Lan","Poly[tetraaqua(μ~6~-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)dimanganese(II)]","Acta Crystallographica Section E","2012","68","7","m957","","10.1107/S1600536812027158","","","0.71073","MoKα","","0.0303","0.0284","","","0.0743","0.0755","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235511","9.9357","0.0002","11.2614","0.0003","15.8263","0.0003","110.625","0.001","91.525","0.003","102.879","0.004","1604.85","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazine","","- C15 H18 Br N3 O2 S -","- C15 H18 Br N3 O2 S -","- C60 H72 Br4 N12 O8 S4 -","4","2","IM2384","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Safder, Muhammad; Haider, Zeeshan","6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazine","Acta Crystallographica Section E","2012","68","7","o2088","o2089","10.1107/S1600536812025123","","","0.71073","MoKα","","0.0945","0.049","","","0.1131","0.1251","","","","","","0.896","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235512","7.2644","0.0004","9.7607","0.0002","10.8411","0.0006","71.317","0.007","75.453","0.007","69.816","0.008","674.87","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^N,O)acetate-κO]mercury(II)","","- C12 H11 Cl2 Hg N O3 -","- C12 H11 Cl2 Hg N O3 -","- C24 H22 Cl4 Hg2 N2 O6 -","2","1","IM2385","Wang, Yu-Hong; Zhu, Xue-Hua; Song, Rui-Feng","Dichlorido[methyl 2-(quinolin-8-yloxy-κ^2^N,O)acetate-κO]mercury(II)","Acta Crystallographica Section E","2012","68","7","m951","","10.1107/S1600536812026591","","","0.71075","MoKα","","0.0535","0.0517","","","0.1397","0.1416","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235513","12.1007","0.0009","12.9869","0.001","18.7501","0.0014","72.064","0.001","81.595","0.001","68.558","0.001","2607.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","5297","([2.2.2]Cryptand-κ^6^O)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1-) pentane hemisolvate","","- C60.5 H72 Co K N2 O6 -","- C60.5 H74 Co K N2 O6 -","- C121 H148 Co2 K2 N4 O12 -","2","1","IM2388","Brennessel, William W.; Ellis, John E.","([2.2.2]Cryptand-κ^6^O)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1{-}) pentane hemisolvate","Acta Crystallographica Section E","2012","68","7","m1013","m1014","10.1107/S1600536812029078","","","0.71073","MoKα","","0.075","0.0422","","","0.0917","0.1076","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235514","12.284","0.006","5.64","0.003","7.881","0.004","90","","108.713","0.009","90","","517.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl pyrazine-2,5-dicarboxylate","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","IS5143","Li, Chuan-Hui; Wu, Wen-Shi; Huang, Yu-Min","Diethyl pyrazine-2,5-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2236","","10.1107/S1600536812028164","","","0.71073","MoKα","","0.0604","0.0525","","","0.1255","0.1307","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235515","13.7592","0.0001","6.7898","0.0001","22.4361","0.0003","90","","101.908","0.001","90","","2050.92","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2- fluorophenyl)prop-2-en-1-one","","- C28 H19 F3 O2 -","- C28 H19 F3 O2 -","- C112 H76 F12 O8 -","4","1","IS5146","Fun, Hoong-Kun; Loh, Wan-Sin; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-(2-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2024","","10.1107/S1600536812024981","","","0.71073","MoKα","","0.0874","0.0578","","","0.1243","0.1403","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235516","7.5612","0.0013","10.4517","0.0018","19.516","0.003","76.034","0.004","89.531","0.004","84.052","0.004","1488.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-methoxyphenyl)ethylidene]hydrazine","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C60 H56 N16 O20 -","4","2","IS5147","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-methoxyphenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","7","o2144","o2145","10.1107/S1600536812026979","","","0.71073","MoKα","","0.1195","0.0862","","","0.2645","0.2959","","","","","","1.11","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235517","9.4976","0.0007","7.5987","0.0006","19.2434","0.0015","90","","103.672","0.002","90","","1349.43","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methoxy-2-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide","","- C9 H12 N2 O7 S2 -","- C9 H12 N2 O7 S2 -","- C36 H48 N8 O28 S8 -","4","1","IS5148","Yousuf, Sammer; Siddiqui, Hina; Farooq, Rabia; Choudhary, M. Iqbal","N-(4-Methoxy-2-nitrophenyl)-N-(methylsulfonyl)methanesulfonamide","Acta Crystallographica Section E","2012","68","7","o2090","","10.1107/S160053681202483X","","","0.71073","MoKα","","0.0505","0.0397","","","0.1057","0.1133","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235518","8.1227","0.0001","8.8745","0.0001","12.407","0.0002","69.386","0.001","72.442","0.001","75.509","0.001","787.634","0.019","100","","100","","","","","","","","","5","P -1","-P 1","2","","(E)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","IS5152","Ruanwas, Pumsak; Chantrapromma, Suchada; Fun, Hoong-Kun","(E)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2155","o2156","10.1107/S1600536812026402","","","0.71073","MoKα","","0.0396","0.0342","","","0.0929","0.0968","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235519","6.6678","0.0002","12.0783","0.0006","20.0529","0.0008","90","","90","","90","","1614.97","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1H- 2λ^6^,1-benzothiazine-2,2-dione","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1H- 2λ^6^,1-benzothiazine-2,2-dione","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","1","IS5153","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Mahmood, Tariq; Ashfaq, Muhammad; Ahmad, Saeed","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","7","o2100","","10.1107/S1600536812025743","","","0.71073","MoKα","","0.0694","0.0449","","","0.0964","0.1079","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235520","9.15","0.0009","11.3609","0.0012","13.6377","0.0014","109.259","0.002","108.431","0.001","95.31","0.002","1238.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3Z,3'E)-3,3'-[Cyclohexane-1,2- diylbis(azanylylidene)]bis(indolin-2-one) N,N-dimethylformamide monosolvate dihydrate","","- C25 H31 N5 O5 -","- C25 H31 N5 O5 -","- C50 H62 N10 O10 -","2","1","IS5155","Pezeshkpour, Shaghayegh; Khaledi, Hamid; Mohd Ali, Hapipah","(3Z,3'E)-3,3'-[Cyclohexane-1,2-diylbis(azanylylidene)]bis(indolin-2-one) N,N-dimethylformamide monosolvate dihydrate","Acta Crystallographica Section E","2012","68","7","o2107","","10.1107/S1600536812026335","","","0.71073","MoKα","","0.046","0.0365","","","0.0883","0.0946","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235521","9.7898","0.0012","6.444","0.0008","23.121","0.003","90","","106.614","0.005","90","","1397.7","0.3","100","1","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-3-Chloro-2-fluorobenzylidene]-6- methylnicotinohydrazide monohydrate","","- C14 H13 Cl F N3 O2 -","- C14 H13 Cl F N3 O2 -","- C56 H52 Cl4 F4 N12 O8 -","4","1","IS5156","Fun, Hoong-Kun; Quah, Ching Kheng; Shyma, P. C.; Kalluraya, Balakrishna; Vidyashree, J. H. S.","N'-[(E)-3-Chloro-2-fluorobenzylidene]-6-methylnicotinohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2122","","10.1107/S1600536812026736","","","0.71073","MoKα","","0.0562","0.046","","","0.1282","0.1371","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235522","24.6121","0.0015","4.6625","0.0003","12.657","0.0008","90","","99.294","0.001","90","","1433.37","0.16","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-N'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C64 H52 Cl4 N8 O12 -","4","1","IS5157","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.","(E)-N'-(4-Chlorobenzylidene)-1-benzofuran-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2163","","10.1107/S1600536812027523","","","0.71073","MoKα","","0.0283","0.0275","","","0.072","0.0728","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235523","8.6603","0.0001","10.2844","0.0001","10.4033","0.0001","83.816","0.001","81.402","0.001","76.373","0.001","887.839","0.016","100","","100","","","","","","","","","5","P -1","-P 1","2","","N'-[1-(4-Chlorophenyl)ethylidene]-5-methyl-1-(4-nitrophenyl)-1H- 1,2,3-triazole-4-carbohydrazide","","- C18 H15 Cl N6 O3 -","- C18 H15 Cl N6 O3 -","- C36 H30 Cl2 N12 O6 -","2","1","IS5158","Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","N'-[1-(4-Chlorophenyl)ethylidene]-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide","Acta Crystallographica Section E","2012","68","7","o2164","","10.1107/S1600536812027535","","","0.71073","MoKα","","0.0504","0.0413","","","0.1127","0.1197","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235524","14.1645","0.0007","14.6276","0.0007","14.0817","0.0007","90","","119.22","0.002","90","","2546.4","0.2","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","2","IS5159","Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","N'-[(E)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2303","o2304","10.1107/S1600536812029121","","","0.71073","MoKα","","0.0798","0.0707","","","0.187","0.2048","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235525","14.2959","0.0012","7.8817","0.0008","14.428","0.0013","90","","90","","90","","1625.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyanopyridinium hydrogen sulfate","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C48 H48 N16 O32 S8 -","8","1","JJ2139","Wang, Ying-Chun","4-Cyanopyridinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","7","o2176","","10.1107/S1600536812027304","","","0.71073","MoKα","","0.036","0.0344","","","0.0904","0.0915","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235526","9.6306","0.0003","13.4129","0.0005","17.9746","0.0007","90","","90.716","0.003","90","","2321.67","0.14","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate","","- C22 H31 Co N2 O9 -","- C22 H31 Co N2 O9 -","- C88 H124 Co4 N8 O36 -","4","1","JJ2140","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma","Acetato(aqua){6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}cobalt(III) methanol disolvate","Acta Crystallographica Section E","2012","68","7","m962","m963","10.1107/S1600536812027687","","","0.71073","MoKα","","0.0587","0.0397","","","0.1015","0.1056","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235527","10.484","0.003","16.309","0.002","6.531","0.001","90","","120.4","0.02","90","","963.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","trisodium dicobalt arsenate diarsenate","","- As3 Co2 Na3 O11 -","- As3 Co2 Na3 O11 -","- As12 Co8 Na12 O44 -","4","0.5","JJ2142","Guesmi, Abderrahmen; Driss, Ahmed","Na~3~Co~2~(AsO~4~)(As~2~O~7~): a new sodium cobalt arsenate","Acta Crystallographica Section E","2012","68","7","i58","","10.1107/S1600536812027791","","","0.71073","MoKα","","0.038","0.0268","","","0.0627","0.0666","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235528","11.5331","0.0004","17.254","0.0006","13.6025","0.0005","90","","105.84","0.002","90","","2604.01","0.16","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1H- pyrazole-1-carbothioamide","","- C11 H10 N6 O3 S -","- C11 H10 N6 O3 S -","- C88 H80 N48 O24 S8 -","8","2","KJ2205","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna; Babu, M.","3-Methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2012","68","7","o2162","","10.1107/S1600536812027134","","","0.71073","MoKα","","0.1145","0.0736","","","0.1663","0.1866","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235529","14.506","0.0006","11.1732","0.0003","14.7365","0.0006","90","","118.859","0.005","90","","2091.85","0.17","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6'-Amino-3'-methyl-11H,2'H- spiro[indeno[1,2-b]quinoxaline-11,4'-pyrano[2,3-c]pyrazole]- 5'-carbonitrile ethanol monosolvate","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C96 H80 N24 O8 -","4","1","KP2405","Zheng, Jia; Li, Bin; Li, Yi-Qun","6'-Amino-3'-methyl-11H,2'H-spiro[indeno[1,2-b]quinoxaline-11,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","7","o2151","","10.1107/S1600536812026992","","","0.7107","MoKα","","0.0701","0.0466","","","0.1074","0.121","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235530","18.3791","0.0007","15.2466","0.0006","7.7235","0.0003","90","","90.514","0.002","90","","2164.18","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-Methyl 3-(2-methoxyphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c]isoxazole-3a-carboxylate","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","KP2411","Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","rac-Methyl 3-(2-methoxyphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2012","68","7","o1987","","10.1107/S1600536812021356","","","0.71073","MoKα","","0.0817","0.0503","","","0.1324","0.1588","","","","","","0.958","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235531","24.433","0.005","4.7861","0.001","5.6385","0.0011","90","","90","","90","","659.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","lithium pyrazinate","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","","- C5 H5 Li N2 O3 -","- C5 H5 Li N2 O3 -","- C20 H20 Li4 N8 O12 -","4","1","KP2421","Starosta, Wojciech; Leciejewicz, Janusz","Poly[μ~2~-aqua-μ~2~-(pyrazine-2-carboxylato)-lithium]","Acta Crystallographica Section E","2012","68","7","m933","m934","10.1107/S1600536812024683","","","0.71073","MoKα","","0.0763","0.0412","","","0.0916","0.1156","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235532","14.3582","0.0005","10.3377","0.0003","20.6302","0.0009","90","","105.615","0.001","90","","2949.14","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-3,4,5,6- tetrahydropyrimidin-1-ium tetraphenylborate","","- C35 H42 B N3 O2 -","- C35 H42 B N3 O2 -","- C140 H168 B4 N12 O8 -","4","1","KP2422","Tiritiris, Ioannis; Kantlehner, Willi","2-Dimethylamino-1-(2-ethoxy-2-oxoethyl)-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","7","o2002","","10.1107/S1600536812023951","","","0.71073","MoKα","","0.0649","0.0403","","","0.0881","0.097","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235533","8.0657","0.0004","12.4288","0.0006","13.184","0.0006","90","","96.37","0.003","90","","1313.5","0.11","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-bromido-bis[benzyl(diethyl ether)magnesium]","","- C22 H34 Br2 Mg2 O2 -","- C22 H34 Br2 Mg2 O2 -","- C44 H68 Br4 Mg4 O4 -","2","0.5","KP2423","Nesbit, Mark A.; Gray, Danielle L.; Girolami, Gregory S.","Di-μ-bromido-bis[benzyl(diethyl ether)magnesium]","Acta Crystallographica Section E","2012","68","7","m942","","10.1107/S1600536812025445","","","0.71073","MoKα","","0.0519","0.0313","","","0.0663","0.0726","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235534","16.6807","0.0007","9.7766","0.0004","21.6911","0.0009","90","","110.743","0.003","90","","3308.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N,N',N',N''-Pentamethyl-N''-\ [3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","","- C37 H50 B N5 O -","- C37 H50 B N5 O -","- C148 H200 B4 N20 O4 -","4","1","KP2424","Tiritiris, Ioannis; Kantlehner, Willi","N,N,N',N',N''-Pentamethyl-N''-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate","Acta Crystallographica Section E","2012","68","7","o2223","","10.1107/S1600536812027067","","","0.71073","MoKα","","0.0585","0.0409","","","0.0965","0.1069","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235535","8.4189","0.0006","8.5894","0.0006","11.0089","0.0008","90","","106.858","0.005","90","","761.88","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-Tetramethyl-N''-[2- (N',N',N'',N''-tetramethylguanidino)ethyl]guanidine","","- C12 H28 N6 -","- C12 H28 N6 -","- C24 H56 N12 -","2","0.5","KP2426","Tiritiris, Ioannis; Kantlehner, Willi","N,N,N',N'-Tetramethyl-N''-[2-(N',N',N'',N''-tetramethylguanidino)ethyl]guanidine","Acta Crystallographica Section E","2012","68","7","o2161","","10.1107/S1600536812027079","","","0.71073","MoKα","","0.0638","0.0363","","","0.0867","0.096","","","","","","0.863","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235536","6.2272","0.0002","18.1729","0.0007","14.3213","0.0005","90","","102.118","0.004","90","","1584.58","0.1","120","2","120","2","","","","","","","","3","C 1 c 1","C -2yc","9","","N,N-Bis(pyridin-2-ylmethyl)cyclohexanamine","","- C18 H23 N3 -","- C18 H23 N3 -","- C72 H92 N12 -","4","1","LD2063","Akerman, Matthew P.; Chipangura, Mathias; Mambanda, Allen; Jaganyi, Deogratius","N,N-Bis(pyridin-2-ylmethyl)cyclohexanamine","Acta Crystallographica Section E","2012","68","7","o2194","o2195","10.1107/S1600536812027572","","","0.71073","MoKα","","0.0471","0.0381","","","0.0827","0.0853","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235537","7.2126","0.0002","10.3607","0.0003","11.1748","0.0003","112.987","0.002","90.34","0.002","107.903","0.002","723.93","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 Br O3 S -","- C16 H13 Br O3 S -","- C32 H26 Br2 O6 S2 -","2","1","LD2064","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2143","","10.1107/S1600536812026918","","","0.71073","MoKα","","0.0455","0.034","","","0.0823","0.0872","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235538","6.7996","0.0004","13.3136","0.0008","11.3167","0.0008","90","","94.449","0.005","90","","1021.38","0.11","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)- 1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide","","- C23 H28 Br N O -","- C23 H28 Br N O -","- C46 H56 Br2 N2 O2 -","2","1","LD2065","Rybakov, Victor B.; Belov, Dmitry S.; Lukyanenko, Evgeny R.; Kurkin, Alexander V.; Yurovskaya, Marina A.","(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenylethyl]decahydrocyclohepta[b]pyrrol-1-ium bromide","Acta Crystallographica Section E","2012","68","7","o2227","","10.1107/S1600536812028073","","","0.71073","MoKα","","0.0694","0.043","","","0.094","0.1043","","","","","","0.974","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235539","9.6627","0.0005","12.1821","0.0007","10.9665","0.0006","90","","109.584","0.001","90","","1216.21","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","catena-Poly[[trans-bis(cyclohexane-1,2-diamine- κ^2^N,N)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","","- C12 H28 Cd2 I4 N4 -","- C12 H28 Cd2 I4 N4 -","- C24 H56 Cd4 I8 N8 -","2","1","LH5467","Cui, Sheng-Feng; Wen, Qin-Mei; Zhou, Cheng-He","catena-Poly[[trans-bis(cyclohexane-1,2-diamine-κ^2^N,N)cadmium]-μ-iodido-(diiodidocadmium)-μ-iodido]","Acta Crystallographica Section E","2012","68","7","m889","","10.1107/S1600536812024828","","","0.71073","MoKα","","0.0219","0.0214","","","0.0495","0.0497","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235540","11.1783","0.001","16.1033","0.0014","15.2165","0.0013","90","","92.838","0.002","90","","2735.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","11-[(E)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-14-hydroxy-6-thia- 3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa- 1(22),15(23),16,18,20-pentaen-10-one","","- C34 H26 F2 N2 O2 S -","- C34 H26 F2 N2 O2 S -","- C136 H104 F8 N8 O8 S4 -","4","1","LH5479","Kumar, Raju Suresh; Osman, Hasnah; Almansour, Abdulrahman I.; Arshad, Suhana; Razak, Ibrahim Abdul","11-[(E)-2-Fluorobenzylidene]-8-(2-fluorophenyl)-14-hydroxy-6-thia-3,13-diazaheptacyclo[13.7.1.1^9,13^.0^2,9^.0^2,14^.0^3,7^.0^19,23^]tetracosa-1(22),15(23),16,18,20-pentaen-10-one","Acta Crystallographica Section E","2012","68","7","o2094","o2095","10.1107/S1600536812025512","","","0.71073","MoKα","","0.103","0.054","","","0.1426","0.1725","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235541","12.7937","0.0019","9.2742","0.0016","8.5194","0.0017","90","","104.853","0.002","90","","977.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium 2-carboxyacetate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","LH5480","Wang, Ying-Chun","4-Methylanilinium 2-carboxyacetate","Acta Crystallographica Section E","2012","68","7","o1984","","10.1107/S1600536812024403","","","0.71073","MoKα","","0.0499","0.0419","","","0.1063","0.1113","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235542","45.655","0.002","4.9113","0.0002","12.5205","0.0007","90","","102.184","0.005","90","","2744.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin- 1-yl}acetato)-sodium]","","- C11 H13 Cl N3 Na O4 -","- C11 H13 Cl N3 Na O4 -","- C88 H104 Cl8 N24 Na8 O32 -","8","1","LH5481","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik; Deshmukh, Madhukar B.","Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin-1-yl}acetato)-sodium]","Acta Crystallographica Section E","2012","68","7","m891","m892","10.1107/S1600536812025007","","","0.71073","MoKα","","0.0719","0.0461","","","0.1013","0.1124","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235543","7.1089","0.0002","10.4169","0.0003","11.0217","0.0003","69.659","0.002","89.526","0.002","71.632","0.001","721.58","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfonyl)-5-chloro-2-methyl-1-benzofuran","","- C15 H10 Br Cl O3 S -","- C15 H10 Br Cl O3 S -","- C30 H20 Br2 Cl2 O6 S2 -","2","1","LH5482","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-chloro-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2027","","10.1107/S1600536812024592","","","0.71073","MoKα","","0.0433","0.0355","","","0.0947","0.0974","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235544","10.1715","0.0002","6.1169","0.0001","11.515","0.0003","90","","110.332","0.002","90","","671.8","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","","- C14 H20 N2 O2 S -","- C14 H20 N2 O2 S -","- C28 H40 N4 O4 S2 -","2","1","LH5485","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","N-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","7","o2032","","10.1107/S1600536812025421","","","1.54184","CuKα","","0.0243","0.0242","","","0.0658","0.066","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235545","7.203","0.0002","5.8778","0.0001","25.1133","0.0005","90","","91.104","0.002","90","","1063.04","0.04","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Bromoacetyl-3-phenylsydnone","4-Bromoacetyl-1,2,3-oxadiazol-3-ylium-5-olate","","- C10 H7 Br N2 O3 -","- C10 H7 Br N2 O3 -","- C40 H28 Br4 N8 O12 -","4","1","LH5486","Fun, Hoong-Kun; Chia, Tze Shyang; Nithinchandra; Kalluraya, Balakrishna; Shetty, Shobhitha","4-Bromoacetyl-3-phenylsydnone","Acta Crystallographica Section E","2012","68","7","o2103","","10.1107/S1600536812026049","","","0.71073","MoKα","","0.0738","0.0591","","","0.1289","0.1332","","","","","","1.231","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235546","8.4617","0.0002","7.7073","0.0002","10.2215","0.0003","90","","98.369","0.002","90","","659.52","0.03","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride","","- C4 H8 Cl N3 O -","- C4 H8 Cl N3 O -","- C16 H32 Cl4 N12 O4 -","4","1","LH5487","Tabatabaee, Masoumeh; Sharif, Mahboubeh A.; Dušek, Michal; Pojarová, Michaela","2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride","Acta Crystallographica Section E","2012","68","7","o2183","o2184","10.1107/S1600536812027080","","","1.54178","CuKα","","0.0264","0.0261","","","0.0733","0.0735","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235547","7.2623","0.0002","11.3926","0.0003","15.9191","0.0004","86.157","0.001","80.917","0.002","88.946","0.002","1297.61","0.06","100","1","100","","","","","","","","","5","P -1","-P 1","2","","3,3'-Di-n-propyl-1,1'-(1,3-phenylenedimethylene)di(1H- imidazol-3-ium) bis(hexafluorophosphate)","","- C20 H28 F12 N4 P2 -","- C20 H28 F12 N4 P2 -","- C40 H56 F24 N8 P4 -","2","1","LH5488","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Di-n-propyl-1,1'-(1,3-phenylenedimethylene)di(1H-imidazol-3-ium) bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","7","o2153","","10.1107/S1600536812026955","","","0.71073","MoKα","","0.0777","0.0508","","","0.1132","0.1258","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235548","6.8316","0.0003","8.8893","0.0005","17.5458","0.0015","90","","90.789","0.006","90","","1065.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxylate","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","LH5490","Lee, Pei-Chi; Guo, Yi-Cin; Huang, Bor-Hunn; Chen, Ming-Jen","tert-Butyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxylate","Acta Crystallographica Section E","2012","68","7","o2208","","10.1107/S1600536812027924","","","0.71073","MoKα","","0.0894","0.0699","","","0.1904","0.2127","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235549","15.0738","0.0012","10.6511","0.0005","14.3353","0.0008","90","","116.01","0.009","90","","2068.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1Z)-1-[(2E)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1- ylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C21 H14 Br F N4 O4 -","- C21 H14 Br F N4 O4 -","- C84 H56 Br4 F4 N16 O16 -","4","1","LH5491","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Sapnakumari, M.; Sarojini, B. K.; Narayana, B.","(1Z)-1-[(2E)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-ylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2012","68","7","o2193","","10.1107/S1600536812027328","","","0.71073","MoKα","","0.1078","0.0506","","","0.1126","0.1405","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235550","7.123","0.005","10.577","0.004","13.68","0.005","68.256","0.005","88.772","0.006","76.604","0.005","928.9","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrophenol‒2,4,6-triamino-1,3,5-triazine‒water (2/1/1)","","- C15 H18 N8 O7 -","- C15 H18 N8 O7 -","- C30 H36 N16 O14 -","2","1","LH5493","Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M. K.; Gunasekaran, S.; Anbalagan, G.","4-Nitrophenol‒2,4,6-triamino-1,3,5-triazine‒water (2/1/1)","Acta Crystallographica Section E","2012","68","7","o2286","","10.1107/S1600536812029066","","","0.71073","MoKα","","0.0624","0.043","","","0.1093","0.1224","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235551","26.6927","0.0016","7.7775","0.0004","18.6689","0.0009","90","","90","","90","","3875.7","0.4","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Cl8 Cu2 N4 O4 -","- C36 H27 Cl8 Cu2 N4 O4 -","- C144 H108 Cl32 Cu8 N16 O16 -","4","1","LH5494","Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","catena-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m999","m1000","10.1107/S1600536812028462","","","0.71073","MoKα","","0.0633","0.0411","","","0.077","0.0851","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235552","6.9227","0.0011","11.54","0.002","12.472","0.002","64.771","0.004","80.755","0.005","72.675","0.004","859.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3,3,5,5-Tetramethyl-r-2,c-6-diphenylpiperidin-4-one","","- C21 H25 N O -","- C21 H25 N O -","- C42 H50 N2 O2 -","2","1","LR2058","Govindaraju, C.; Valliappan, R.; Sundari, V.","3,3,5,5-Tetramethyl-r-2,c-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2012","68","7","o2097","","10.1107/S1600536812018983","","","0.71073","MoKα","","0.0714","0.0563","","","0.1414","0.1521","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235553","4.6733","0.0003","6.6441","0.0005","25.2825","0.0019","86.97","0.006","86.386","0.006","78.087","0.005","765.94","0.1","296","","296","","","","","","","","","6","P -1","-P 1","2","","2-{(E)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","","- C15 H11 F3 I N O2 -","- C15 H11 F3 I N O2 -","- C30 H22 F6 I2 N2 O4 -","2","1","LR2067","Pekdemir, Merve; Işık, Şamil; Alaman Ağar, Ayşen","2-{(E)-[(3-Iodo-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol","Acta Crystallographica Section E","2012","68","7","o2148","","10.1107/S1600536812026876","","","0.71073","MoKα","","0.0435","0.0375","","","0.1034","0.107","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235554","6.753","0.0004","7.5024","0.0004","8.4439","0.0005","81.895","0.002","82.215","0.001","66.769","0.002","387.69","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nicotinium nitrate","3-Carboxypyridinium nitrate","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C12 H12 N4 O10 -","2","1","LX2240","Al-Farhan, Khalid; Khair, Miftahul; Ghazzali, Mohamed","3-Carboxypyridinium nitrate","Acta Crystallographica Section E","2012","68","7","o2246","","10.1107/S1600536812028565","","","0.71075","MoKα","","0.0768","0.0497","","","0.1245","0.1448","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235555","25.901","0.003","6.2097","0.0007","8.608","0.0009","90","","103.258","0.009","90","","1347.6","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-Nicotinamido-2-naphthoic acid","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","MW2071","Song, Yun-Sung; Lee, Soon W.","6-Nicotinamido-2-naphthoic acid","Acta Crystallographica Section E","2012","68","7","o1978","","10.1107/S1600536812024051","","","0.71073","MoKα","","0.0362","0.0336","","","0.0903","0.0921","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235556","3.9796","0.0003","22.2266","0.0019","12.2484","0.001","90","","95.027","0.001","90","","1079.24","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(E)-Benzylidene]indolin-2-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","MW2072","Asiri, Abdullah M.; Zayed, Mohie E. M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[(E)-Benzylidene]indolin-2-one","Acta Crystallographica Section E","2012","68","7","o2020","","10.1107/S1600536812024762","","","0.71073","MoKα","","0.0439","0.0381","","","0.1015","0.107","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235557","13.3384","0.0009","8.5634","0.0005","14.1021","0.0008","90","","99.34","0.002","90","","1589.42","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-bis(5-methoxy-2-hydroxybenzyl)methylamine","4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","NC2280","Veranitisagul, Chatchai; Kaewvilai, Attaphon; Duangthongyou, Tanwawan; Koonsaeng, Nattamon; Laobuthee, Apirat","4,4'-Dimethoxy-2,2'-[methylazanediylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","7","o2139","","10.1107/S1600536812026694","","","0.71073","MoKα","","0.0637","0.0457","","","0.1376","0.1604","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235558","4.7661","0.0004","22.8201","0.0018","10.7793","0.0007","90","","92.704","0.007","90","","1171.08","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-4-Methyl-N-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","NC2283","Ceylan, Ümit; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(E)-4-Methyl-N-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","7","o2116","","10.1107/S1600536812026062","","","0.71073","MoKα","","0.0929","0.0628","","","0.1505","0.1768","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235559","9.1623","0.0008","10.13","0.001","13.446","0.001","73.212","0.009","70.276","0.008","66.772","0.008","1061.9","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(4-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","2","NC2284","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(4-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","7","o2128","","10.1107/S1600536812026244","","","0.71073","MoKα","","0.0592","0.0409","","","0.1003","0.112","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235560","5.0552","0.0007","9.869","0.002","12.028","0.003","106.71","0.01","91.01","0.01","94.57","0.01","572.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,3-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","NC2285","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,3-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","7","o2191","","10.1107/S1600536812027973","","","0.71073","MoKα","","0.1153","0.0648","","","0.1232","0.1408","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235561","5.417","0.003","12.254","0.006","17.505","0.011","90","","96.46","0.03","90","","1154.6","1.1","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-Bromoethyl)-9H-carbazole","","- C14 H12 Br N -","- C14 H12 Br N -","- C56 H48 Br4 N4 -","4","1","NG5265","Zhao, Bao-Hua; Zhu, Xiao-Fei; Guan, Shuang; Li, Dong-Feng","9-(2-Bromoethyl)-9H-carbazole","Acta Crystallographica Section E","2012","68","7","o2026","","10.1107/S1600536812024397","","","0.71073","MoKα","","0.0452","0.0321","","","0.076","0.0823","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235562","7.549","0.005","12.23","0.005","12.308","0.005","90","","90","","90","","1136.3","1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","","- C13 H13 B N2 O -","- C13 H13 B N2 O -","- C52 H52 B4 N8 O4 -","4","1","NK2170","Robinson, Ross S.; Sithebe, Siphamandla; Akerman, Matthew P.","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","Acta Crystallographica Section E","2012","68","7","o2241","","10.1107/S1600536812028437","","","0.71073","MoKα","","0.0377","0.0344","","","0.0928","0.094","","","","","","1.045","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2235563","9.758","0.001","10.702","0.001","20.187","0.002","90","","110.124","0.003","90","","1979.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide","","- C18 H28 I N5 O2 -","- C18 H28 I N5 O2 -","- C72 H112 I4 N20 O8 -","4","1","NR2029","Peuronen, Anssi; Lahtinen, Manu","1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide","Acta Crystallographica Section E","2012","68","7","o1986","","10.1107/S1600536812024531","","","0.71069","MoKα","","0.0348","0.029","","","0.0569","0.0597","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235564","6.7767","0.0008","21.5081","0.0016","8.3635","0.0012","90","","118.109","0.009","90","","1075.2","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[(diethylenetriamine- κ^3^N,N',N'')copper(II)]-μ-cyanido- κ^2^C:N] perchlorate]","","- C5 H13 Cl Cu N4 O4 -","- C5 H13 Cl Cu N4 O4 -","- C20 H52 Cl4 Cu4 N16 O16 -","4","1","PK2408","Corfield, Peter W. R.; Yang, Sylvia C.","catena-Poly[[[(diethylenetriamine-κ^3^N,N',N'')copper(II)]-μ-cyanido-κ^2^C:N] perchlorate]","Acta Crystallographica Section E","2012","68","7","m872","m873","10.1107/S1600536812023987","","","1.5418","CuKα","","0.0331","0.0306","","","0.0834","0.0847","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235565","11.28642","0.00013","10.98496","0.00014","10.58826","0.00012","90","","90","","90","","1312.74","0.03","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","","- C H4 F2 N2 O4 S2 -","- C H4 F2 N2 O4 S2 -","- C8 H32 F16 N16 O32 S16 -","8","2","PK2414","Finze, Maik; Reiss, Guido J.","Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2012","68","7","o1992","o1993","10.1107/S1600536812024221","","","0.71073","MoKα","","0.0194","0.0189","","","0.0482","0.0485","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235566","6.2344","0.0009","6.8196","0.0011","11.5833","0.0018","105.285","0.004","96.061","0.004","97.809","0.004","465.47","0.12","200","","200","2","","","","","","","","6","P -1","-P 1","2","cis-platin","cis-Diamminedichloridoplatinum(II) N,N-dimethylformamide monosolvate","","- C3 H13 Cl2 N3 O Pt -","- C3 H13 Cl2 N3 O Pt -","- C6 H26 Cl4 N6 O2 Pt2 -","2","1","PK2417","Johnston, Dean H.; Miller, Nathanael A.; Tackett, Cory B.","cis-Diamminedichloridoplatinum(II) N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","7","m863","m864","10.1107/S1600536812024014","","","0.71073","MoKα","","0.0306","0.0279","","","0.0713","0.0724","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235567","7.8809","0.0004","18.0518","0.001","20.1883","0.0011","90","","90","","90","","2872.1","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sjfbk04","Dichlorido-1κCl,3κCl-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^O:O;2:3κ^2^O:O-trizirconium(IV)","","- C30 H30 Cl2 O2 Zr3 -","- C30 H30 Cl2 O2 Zr3 -","- C120 H120 Cl8 O8 Zr12 -","4","0.5","PK2418","Kraft, Bradley M.; Brennessel, William W.","Dichlorido-1κCl,3κCl-hexakis[1,1,2,2,3,3(η^5^)-cyclopentadienyl]di-μ~2~-oxido-1:2κ^2^O:O;2:3κ^2^O:O-trizirconium(IV)","Acta Crystallographica Section E","2012","68","7","m893","","10.1107/S1600536812024968","","","0.71073","MoKα","","0.082","0.0403","","","0.0835","0.1004","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235568","5.8337","0.001","6.1408","0.0009","17.941","0.003","81.468","0.012","87.335","0.014","62.606","0.013","564.15","0.17","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(2-tert-Butyl-5-hydroxymethyl-1,3-dioxan-5-yl)methanol","","- C10 H20 O4 -","- C10 H20 O4 -","- C20 H40 O8 -","2","1","PK2419","Vargas, Berenice; Olivas, Amelia; Aguirre, Gerardo; Madrigal, Domingo","(2-tert-Butyl-5-hydroxymethyl-1,3-dioxan-5-yl)methanol","Acta Crystallographica Section E","2012","68","7","o2049","","10.1107/S160053681202541X","","","0.71073","MoKα","","0.0663","0.0535","","","0.1792","0.1933","","","","","","1.415","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235569","9.0683","0.0019","13.5177","0.0016","10.9203","0.0017","90","","94.042","0.014","90","","1335.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","","- C11 H11 N3 O6 S -","- C11 H11 N3 O6 S -","- C44 H44 N12 O24 S4 -","4","1","PK2420","Lv, Yao-hui; Zhang, Wei; Liu, Hong","2-Amino-3-nitropyridinium 4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2169","","10.1107/S1600536812027651","","","0.71073","MoKα","","0.0234","0.0232","","","0.0627","0.0629","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235570","4.7913","0.0002","8.868","0.0004","10.6156","0.0005","90","","101.115","0.005","90","","442.59","0.04","292","2","292","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Co2V2Se2O11","dicobalt(II) divanadium(V) diselenium(IV) undecaoxide","","- Co2 O11 Se2 V2 -","- Co2 O11 Se2 V2 -","- Co4 O22 Se4 V4 -","2","0.5","PK2421","Rabbani, Faiz; Zimmermann, Iwan; Johnsson, Mats","The synthetic cobalt vanadium selenite, Co~2~V~2~Se~2~O~11~","Acta Crystallographica Section E","2012","68","7","i61","","10.1107/S1600536812027286","","","0.71073","MoKα","","0.0585","0.0317","","","0.0453","0.0479","","","","","","0.76","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235571","10.3141","0.0005","34.7124","0.0016","8.3792","0.0004","90","","114.321","0.006","90","","2733.7","0.3","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-Bromo-N-(pyridin-2-ylmethylidene)aniline- κ^2^N,N']iodido(triphenylphosphane-κP)copper(I)","","- C30 H24 Br Cu I N2 P -","- C30 H24 Br Cu I N2 P -","- C120 H96 Br4 Cu4 I4 N8 P4 -","4","1","PK2426","Khalaji, Aliakbar Dehno; Bahramian, Bahram; Jafari, Khadijeh; Fejfarová, Karla; Dušek, Michal","[4-Bromo-N-(pyridin-2-ylmethylidene)aniline-κ^2^N,N']iodido(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2012","68","7","m1001","m1002","10.1107/S160053681202884X","","","0.7107","MoKα","","0.0593","0.0379","","","0.0941","0.1096","","","","","","1.19","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235572","8.202","0.0006","9.8957","0.0008","27.972","0.002","90","","90","","90","","2270.3","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","","- C24 H34 O5 -","- C24 H34 O5 -","- C96 H136 O20 -","4","1","PV2530","Yousuf, Sammer; Bano, Saira; Choudhary, M. Iqbal","17α-Acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","Acta Crystallographica Section E","2012","68","7","o2006","","10.1107/S1600536812017631","","","0.71073","MoKα","","0.0686","0.0427","","","0.0897","0.1006","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235573","13.459","0.0002","15.4688","0.0003","17.6599","0.0004","90.281","0.001","98.468","0.001","115.58","0.001","3270.49","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Octakis(dimethyl sulfoxide-κO)cerium(III) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) dimethyl sulfoxide tetrasolvate","","- C40 H120 Ce2 Mo18 O77 S20 -","- C32 H96 Ce2 Mo18 O73 S16 -","- C32 H96 Ce2 Mo18 O73 S16 -","1","0.5","PV2546","Ben Khélifa, Arbia; Giorgi, Michel; Belkhiria, Mohamed Salah","Octakis(dimethyl sulfoxide-κO)cerium(III) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxidohexamolybdate(VI) dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section E","2012","68","7","m938","m939","10.1107/S1600536812025949","","","0.71073","MoKα","","0.0759","0.0597","","","0.1518","0.1589","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235574","10.5104","0.0012","11.5726","0.0014","15.4401","0.0018","90","","90","","90","","1878","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b- tetrahydro-3aH,8H-naphtho[1,2-b]furan-2(3H)-one","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","PV2547","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b-tetrahydro-3aH,8H-naphtho[1,2-b]furan-2(3H)-one","Acta Crystallographica Section E","2012","68","7","o2112","","10.1107/S1600536812023847","","","0.71073","MoKα","","0.0769","0.0433","","","0.0853","0.0991","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235575","5.466","0.0011","6.851","0.0014","22.704","0.005","90","","90.45","0.03","90","","850.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine","","- C20 H18 N4 -","- C20 H18 N4 -","- C40 H36 N8 -","2","0.5","PV2550","Zhou, Wei; Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin","N,N'-Bis[1-(pyridin-2-yl)ethylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2012","68","7","o2086","","10.1107/S1600536812025834","","","0.71073","MoKα","","0.0839","0.0515","","","0.1398","0.1546","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235576","11.135","0.007","9.22","0.006","21.452","0.015","90","","93.68","0.012","90","","2198","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-{[Ethane-1,2-diylbis(oxy)]bis(ethane-2,1-diyl)}bis(4- methylbenzenesulfonamide)","","- C20 H28 N2 O6 S2 -","- C20 H28 N2 O6 S2 -","- C80 H112 N8 O24 S8 -","4","0.5","PV2551","Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","N,N'-{[Ethane-1,2-diylbis(oxy)]bis(ethane-2,1-diyl)}bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2012","68","7","o1983","","10.1107/S1600536812024324","","","0.71073","MoKα","","0.0679","0.0533","","","0.139","0.1504","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235577","4.6448","0.0001","8.0792","0.0001","22.7335","0.0004","90","","93.554","0.001","90","","851.46","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Chloroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","1","PV2552","Khazi, Mohammed Iqbal A.; Fathima, Nikhath; Belavagi, Ningaraddi S.; Begum, Noor Shahina; Khazi, I. M.","1-(2-Chloroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one","Acta Crystallographica Section E","2012","68","7","o2083","","10.1107/S1600536812025184","","","0.71073","MoKα","","0.0396","0.0345","","","0.0946","0.1001","","","","","","0.87","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235578","13.7771","0.0002","8.4961","0.0001","18.5878","0.0002","90","","97.559","0.001","90","","2156.82","0.05","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)pyrimidine- 5-carbonitrile","","- C22 H20 Cl N3 S2 -","- C22 H20 Cl N3 S2 -","- C88 H80 Cl4 N12 S8 -","4","1","PV2554","El-Emam, Ali A.; Al-Deeb, Omar A.; Al-Turkistani, Abdulghafoor A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[(4-Chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)pyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2055","o2056","10.1107/S1600536812025810","","","1.54184","CuKα","","0.0439","0.0411","","","0.1135","0.1166","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235579","16.7593","0.001","11.4989","0.0006","17.146","0.001","90","","90.449","0.002","90","","3304.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone","","- C40 H44 O3 -","- C39.999 H44 O3 -","- C159.996 H176 O12 -","4","1","PV2555","Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone","Acta Crystallographica Section E","2012","68","7","o2141","","10.1107/S1600536812026773","","","0.71073","MoKα","","0.0834","0.0496","","","0.1259","0.1526","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235580","21.5855","0.0012","15.7999","0.0007","14.7469","0.0007","90","","127.207","0.003","90","","4005.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[f]isoindole- 1,3'-indole]-2',4,9-trione","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","1","PV2556","Jagadeesan, G.; Sethusankar, K.; Bhaskar, G.; Perumal, P. T.","1'-Butyl-2-methyl-1',2,2',3,4,9-hexahydrospiro[benzo[f]isoindole-1,3'-indole]-2',4,9-trione","Acta Crystallographica Section E","2012","68","7","o2140","","10.1107/S1600536812026748","","","0.71073","MoKα","","0.0713","0.0517","","","0.1532","0.1775","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235581","8.6224","0.0002","7.114","0.0001","10.021","0.0002","90","","106.707","0.002","90","","588.74","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(11R,12S)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca- 2(7),3,5,9(14),10,12-hexaen-15-ol","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","PV2558","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.; Ng, Seik Weng; Tiekink, Edward R. T.","(11R,12S)-16-Aminotetracyclo[6.6.2.0^2,7^.0^9,14^]hexadeca-2(7),3,5,9(14),10,12-hexaen-15-ol","Acta Crystallographica Section E","2012","68","7","o2137","","10.1107/S1600536812026542","","","1.54184","CuKα","","0.0292","0.029","","","0.0769","0.0771","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235582","10.851","0.0004","11.1669","0.0004","11.2736","0.0004","103.087","0.002","97.367","0.002","93.402","0.002","1314.05","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","11-[1-(4-Methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-14-methyl-12-oxa-8,14- diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C60 H54 N6 O12 -","2","1","PV2559","Sundaramoorthy, S.; Rajesh, R.; Raghunathan, R.; Velmurugan, D.","11-[1-(4-Methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0^1,10^.0^2,7^]hexadeca-2(7),3,5-triene-9,13-dione","Acta Crystallographica Section E","2012","68","7","o2202","","10.1107/S160053681202733X","","","0.71073","MoKα","","0.0621","0.0415","","","0.1016","0.1141","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235583","11.4251","0.0013","7.8362","0.0008","32.041","0.004","90","","91.313","0.008","90","","2867.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo- 10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15- triene-8-carboxylate","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C136 H128 N8 O32 -","4","1","PV2560","Sundaramoorthy, S.; Rajesh, R.; Raghunathan, R.; Velmurugan, D.","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenoxyazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15-triene-8-carboxylate","Acta Crystallographica Section E","2012","68","7","o2200","o2201","10.1107/S1600536812027341","","","0.71073","MoKα","","0.1446","0.0544","","","0.108","0.1411","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235584","6.5442","0.0008","11.0267","0.0014","8.0991","0.001","90","","111.402","0.002","90","","544.14","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","5-Hydroxy-6-[(E)-2-phenylethenyl]-5,6-dihydro-2H-pyran-2-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C26 H24 O6 -","2","1","PV2562","Jusoh, Samsiah; Din, Laily B.; Zakaria, Zuriati; Khaledi, Hamid","5-Hydroxy-6-[(E)-2-phenylethenyl]-5,6-dihydro-2H-pyran-2-one isolated from Goniothalamus ridleyi","Acta Crystallographica Section E","2012","68","7","o2274","","10.1107/S1600536812028334","","","0.71073","MoKα","","0.0277","0.0267","","","0.0678","0.0689","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235585","10.9928","0.0019","10.9928","0.0019","21.4549","0.0019","90","","90","","90","","2592.6","0.7","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrakis[μ-N-(2,4,6-trimethylphenyl)acetamidato]- κ^4^N:O;κ^4^O:N-bis[(benzonitrile- κN)rhodium(II)](Rh—Rh)","","- C58 H66 N6 O4 Rh2 -","- C58 H66 N6 O4 Rh2 -","- C116 H132 N12 O8 Rh4 -","2","0.25","QK2033","Eagle, Cassandra T.; Kpogo, Kenneth K.; Zink, Landon C.; Smith, Albert E.","Tetrakis[μ-N-(2,4,6-trimethylphenyl)acetamidato]-κ^4^N:O;κ^4^O:N-bis[(benzonitrile-κN)rhodium(II)](Rh—Rh)","Acta Crystallographica Section E","2012","68","7","m877","","10.1107/S1600536812024518","","","0.71075","MoKα","","0.0727","0.0359","","","0.0651","0.074","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235586","10.998","0.002","7.4536","0.0015","12.271","0.003","90","","95.86","0.03","90","","1000.7","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato- κ^2^N,N'}nickel(II) tetrahydrate","","- C14 H24 N2 Ni O12 -","- C14 H24 N2 Ni O12 -","- C28 H48 N4 Ni2 O24 -","2","1","QK2036","Wang, Huan-Huan; Duan, Guang-He; Wang, Lin; Xie, Ya-Bo","Tetraaqua{5-[(pyridin-2-ylmethylidene)amino]benzene-1,3-dicarboxylato-κ^2^N,N'}nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m964","","10.1107/S1600536812027122","","","0.71073","MoKα","","0.0187","0.0183","","","0.0434","0.0436","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235587","7.949","0.002","10.191","0.003","10.844","0.004","80.784","0.006","74.302","0.006","79.772","0.006","826.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis{N-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido- κ^2^N,O}copper(II)","","- C36 H40 Cu N4 O4 -","- C36 H40 Cu N4 O4 -","- C36 H40 Cu N4 O4 -","1","0.5","QM2070","Yusof, M. Sukeri M.; Kadir, Maisara A.; Yamin, Bohari M.","Bis{N-[methoxy(4-methylbenzamido)methyl]-2,4-dimethylanilinido-κ^2^N,O}copper(II)","Acta Crystallographica Section E","2012","68","7","m894","","10.1107/S1600536812025081","","","0.71073","MoKα","","0.0914","0.0634","","","0.1766","0.1975","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235588","12.1229","0.0003","15.4518","0.0004","23.6868","0.0006","90","","103.894","0.003","90","","4307.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","n-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl- κN)ethylidene]thiosemicarbazidato-κ^2^N^1^,S}tin(IV)","","- C18 H28 Cl2 N4 S Sn -","- C18 H28 Cl2 N4 S Sn -","- C144 H224 Cl16 N32 S8 Sn8 -","8","2","QM2072","Affan, Md. Abu; Salam, Md. Abdus; Asaruddin, Mohd Razip; Ng, Seik Weng; Tiekink, Edward R. T.","n-Butyldichlorido{4-cyclohexyl-1-[1-(pyridin-2-yl-κN)ethylidene]thiosemicarbazidato-κ^2^N^1^,S}tin(IV)","Acta Crystallographica Section E","2012","68","7","m909","m910","10.1107/S1600536812025937","","","0.71073","MoKα","","0.044","0.0347","","","0.0792","0.0851","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235589","6.2414","0.0002","11.3954","0.0005","15.5563","0.0007","78.386","0.002","87.165","0.002","77.046","0.002","1056.17","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''- indoline]-1,2''-dione","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","QM2073","Moustafa, A. M.; Girgis, Adel S.; Shalaby, S. M.; Tiekink, Edward R. T.","1'-Methyl-4'-(4-methylphenyl)dispiro[indane-2,3'-pyrrolidine-2',3''-indoline]-1,2''-dione","Acta Crystallographica Section E","2012","68","7","o2197","o2198","10.1107/S1600536812028012","","","0.71073","MoKα","","0.1641","0.0617","","","0.1175","0.154","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235590","6.2664","0.0012","7.1342","0.0012","20.41","0.002","90","","90","","90","","912.4","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-methoxybenzenesulfonate","","- C7 H11 N O4 S -","- C7 H11 N O4 S -","- C28 H44 N4 O16 S4 -","4","1","QM2074","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Ammonium 4-methoxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2228","o2229","10.1107/S1600536812028103","","","0.71073","MoKα","","0.0473","0.042","","","0.1164","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235591","22.805","0.002","8.8154","0.0008","16.7462","0.0015","90","","131.448","0.007","90","","2523.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selanyl]-3,5-dimethyl- 1H-pyrazol-2-ium} chloride monohydrate","","- C20 H31 Cl N8 O Se2 -","- C20 H31 Cl N8 O Se2 -","- C80 H124 Cl4 N32 O4 Se8 -","4","0.5","RK2354","Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Penkova, Larysa","Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selanyl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate","Acta Crystallographica Section E","2012","68","7","o2068","","10.1107/S1600536812025640","","","0.71073","MoKα","","0.0683","0.0442","","","0.1001","0.1073","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235592","6.324","0.0007","12.9391","0.0014","16.424","0.0018","90","","100.922","0.002","90","","1319.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(pyridine-2-thiolato-κ^2^N,S)tin(IV)","","- C10 H8 Cl2 N2 S2 Sn -","- C10 H8 Cl2 N2 S2 Sn -","- C40 H32 Cl8 N8 S8 Sn4 -","4","0.5","RK2356","Ismaylova, Sheyda R.; Matsulevich, Zhanna V.; Borisova, Galina N.; Borisov, Alexander V.; Khrustalev, Victor N.","Dichloridobis(pyridine-2-thiolato-κ^2^N,S)tin(IV): a new polymorph","Acta Crystallographica Section E","2012","68","7","m875","m876","10.1107/S1600536812024026","","","0.71073","MoKα","","0.0206","0.0202","","","0.0493","0.0497","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235593","8.962","0.002","8.851","0.002","12.481","0.003","90","","101.751","0.003","90","","969.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyrimidine","","- C10 H9 N5 -","- C10 H9 N5 -","- C40 H36 N20 -","4","1","RK2359","Gao, Guo-Rui; Duan, Wen-Hu","2-Methyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyrimidine","Acta Crystallographica Section E","2012","68","7","o1977","","10.1107/S1600536812024166","","","0.71073","MoKα","","0.0632","0.0506","","","0.1206","0.1278","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235594","9.8731","0.0006","9.8731","0.0006","14.2455","0.0017","90","","90","","90","","1388.6","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","(Z)-3-o-Tolyl-3-(p-tolyloxy)acrylonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","RK2361","Zhou, Li; Wang, Chuan-Hu; Zhou, Mi","(Z)-3-o-Tolyl-3-(p-tolyloxy)acrylonitrile","Acta Crystallographica Section E","2012","68","7","o2085","","10.1107/S1600536812025858","","","0.71073","MoKα","","0.0538","0.0405","","","0.1011","0.111","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235595","10.7599","0.0003","13.0389","0.0003","17.9453","0.0005","90.447","0.002","98.415","0.002","108.904","0.002","2352.13","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(2-Benzoylbenzoyl)-N,N-diphenylaniline","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","2","RK2362","Narayanan, P.; Sethusankar, K.; Nandakumar, M.; Mohanakrishnan, A. K.","4-(2-Benzoylbenzoyl)-N,N-diphenylaniline","Acta Crystallographica Section E","2012","68","7","o2035","","10.1107/S160053681202466X","","","0.71073","MoKα","","0.0586","0.0364","","","0.0833","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235596","9.4825","0.0019","10.616","0.002","13.08","0.003","78.96","0.03","68.76","0.03","76.85","0.03","1186.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-adipato-κ^4^O^1^:O^6^-bis{aqua[5,6-diphenyl-3-(pyridin-2- yl)-1,2,4-triazine-κ^2^N^2^,N^3^]copper(II)}","","- C52 H48 Cu2 N8 O10 -","- C52 H48 Cu2 N8 O10 -","- C52 H48 Cu2 N8 O10 -","1","0.5","RK2363","Xu, Wei; Qi, Jin‒Li","Di-μ-adipato-κ^4^O^1^:O^6^-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ^2^N^2^,N^3^]copper(II)}","Acta Crystallographica Section E","2012","68","7","m906","","10.1107/S1600536812025676","","","0.71073","MoKα","","0.112","0.0568","","","0.1124","0.1349","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235597","5.7768","0.0005","12.145","0.0011","14.8194","0.0013","78.207","0.004","89.641","0.003","77.601","0.004","993.26","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[(E)-(Pyridin-3-ylimino)methyl]phenol","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","RK2365","Tahir, M. Nawaz; Ali, Akbar; Umar, M. Naveed; Hussain, Ishtiaq; Shad, Hazoor Ahmad","3-[(E)-(Pyridin-3-ylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","7","o2072","","10.1107/S1600536812025822","","","0.71073","MoKα","","0.0701","0.044","","","0.1042","0.1178","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235598","6.5368","0.0002","10.7228","0.0005","13.0666","0.0004","90","","90","","90","","915.87","0.06","150","2","150","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","dipotassium divanadium dioxide diarsenate","","- As2 K2 O10 V2 -","- As2 K2 O10 V2 -","- As8 K8 O40 V8 -","4","1","RU2035","Belkhiri, Sabrina; Mezaoui, Djillali; Roisnel, Thierry","K~2~V~2~O~2~(AsO~4~)~2~","Acta Crystallographica Section E","2012","68","7","i54","","10.1107/S1600536812027183","","","0.71069","MoKα","","0.031","0.0276","","","0.0333","0.0339","","","","","","1.6","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235599","11.3098","0.0019","7.6721","0.0011","7.5467","0.001","90","","105.647","0.002","90","","630.56","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(5-methylpyrazine-2-carboxylato-κ^2^N,O)nickel(II)","","- C12 H10 N4 Ni O4 -","- C12 H10 N4 Ni O4 -","- C24 H20 N8 Ni2 O8 -","2","0.5","RU2036","Shi, Qi-Ying; Zhang, Guo-Chun; Zhou, Chun-Sheng; Yang, Qi","Bis(5-methylpyrazine-2-carboxylato-κ^2^N,O)nickel(II)","Acta Crystallographica Section E","2012","68","7","m919","","10.1107/S1600536812024749","","","0.71073","MoKα","","0.0814","0.0621","","","0.1508","0.1756","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2235600","9.8566","0.0003","19.9317","0.0007","22.1822","0.0006","90","","93.603","0.003","90","","4349.3","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(II) bis(hexafluoridophosphate) acetonitrile monosolvate","","- C44 H39 Cu F12 N7 P2 -","- C44 H39 Cu F12 N7 P2 -","- C176 H156 Cu4 F48 N28 P8 -","4","1","RU2037","Toledano-Magaña, Yanis; García-Ramos, Juan-Carlos; García-Manrique, Consuelo; Flores-Alamo, Marcos; Ruiz-Azuara, Lena","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(II) bis(hexafluoridophosphate) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","7","m987","m988","10.1107/S1600536812028267","","","0.71073","MoKα","","0.0654","0.0391","","","0.0911","0.0965","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235601","15.1923","0.0002","11.5954","0.0002","12.3762","0.0002","90","","115.039","0.001","90","","1975.31","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-Ethyl-N- phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide","","- C18 H20 N2 S4 -","- C18 H20 N2 S4 -","- C72 H80 N8 S16 -","4","0.5","RU2038","Ajibade, Peter A.; Ejelonu, Benjamin C.; Omondi, Bernard","N-Ethyl-N-phenyl{[ethyl(phenyl)carbamothioyl]disulfanyl}carbothioamide","Acta Crystallographica Section E","2012","68","7","o2182","","10.1107/S1600536812027808","","","0.71073","MoKα","","0.0247","0.024","","","0.0662","0.0675","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235602","11.546","0.003","27.134","0.007","12.149","0.003","90","","110.372","0.004","90","","3568.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6,13-Bis(2,4-dichlorobenzoyl)-5,7,12,14- tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato- κ^4^N]nickel(II) acetone monosolvate","","- C39 H32 Cl4 N4 Ni O3 -","- C39 H32 Cl4 N4 Ni O3 -","- C156 H128 Cl16 N16 Ni4 O12 -","4","1","RZ2759","Jiang, Bo-Kun; Shen, Xuan; Wang, Xin; Su, Fan; Zhu, Dun-Ru","[6,13-Bis(2,4-dichlorobenzoyl)-5,7,12,14-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato- κ^4^N]nickel(II) acetone monosolvate","Acta Crystallographica Section E","2012","68","7","m871","","10.1107/S1600536812024671","","","0.71073","MoKα","","0.2085","0.0776","","","0.1413","0.1899","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235603","8.9427","0.0002","8.2067","0.0002","18.3536","0.0003","90","","94.415","0.001","90","","1342.97","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-sec-Butyl-1-(2-hydroxyethyl)-1H-benzimidazole-5-carboxylic acid","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","RZ2764","Hamzah, Nurasyikin; Ngah, Nurziana; Abd Hamid, Shafida; Abdul Rahim, Aisyah Saad","2-sec-Butyl-1-(2-hydroxyethyl)-1H-benzimidazole-5-carboxylic acid","Acta Crystallographica Section E","2012","68","7","o1995","","10.1107/S1600536812023884","","","0.71073","MoKα","","0.0387","0.0337","","","0.0837","0.0876","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235604","22.185","0.004","3.7457","0.0006","11.894","0.002","90","","90","","90","","988.4","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-(2,4-Difluorophenyl)-5-nitropyridine","","- C11 H6 F2 N2 O2 -","- C11 H6 F2 N2 O2 -","- C44 H24 F8 N8 O8 -","4","1","RZ2765","Sun, Feng; Shen, Xuan; Zhao, Rui; Wang, Xin; Zhu, Dun-Ru","2-(2,4-Difluorophenyl)-5-nitropyridine","Acta Crystallographica Section E","2012","68","7","o2001","","10.1107/S1600536812024713","","","0.71073","MoKα","","0.046","0.0338","","","0.0754","0.081","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235605","9.6203","0.0019","12.87","0.003","21.227","0.004","90","","90","","90","","2628.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one","","- C30 H31 N O8 -","- C30 H31 N O8 -","- C120 H124 N4 O32 -","4","1","RZ2767","Shi, Shaoyu; Tian, Danli; Luo, Gang; Ai, Ting; Chen, Hong","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one","Acta Crystallographica Section E","2012","68","7","o2045","","10.1107/S160053681202572X","","","0.71073","MoKα","","0.069","0.0503","","","0.1046","0.1141","","","","","","0.89","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235606","8.4816","0.0004","8.8834","0.0004","15.0357","0.0008","85.701","0.001","88.161","0.002","73.684","0.001","1084.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis{1-[4-(1H-imidazol-1-yl- κN^3^)phenyl]ethanone}bis(isothiocyanato-κN)nickel(II)","","- C46 H40 N10 Ni O4 S2 -","- C46 H40 N10 Ni O4 S2 -","- C46 H40 N10 Ni O4 S2 -","1","0.5","RZ2769","Zhao, Juan; Liu, Bao-Cheng","Tetrakis{1-[4-(1H-imidazol-1-yl-κN^3^)phenyl]ethanone}bis(isothiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2012","68","7","m967","","10.1107/S1600536812027092","","","0.71073","MoKα","","0.127","0.0654","","","0.1614","0.2586","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235607","8.6","0.0009","10.7458","0.0011","19.729","0.002","90","","90","","90","","1823.2","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b- hexahydronaphtho[1,2-b]furan-2(3H)-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","RZ2770","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one","Acta Crystallographica Section E","2012","68","7","o2158","","10.1107/S1600536812027146","","","0.71073","MoKα","","0.0692","0.0412","","","0.0858","0.1012","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235608","8.4375","0.0005","12.0446","0.0007","17.5449","0.001","90","","90.789","0.003","90","","1782.85","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(2-anilino-2-oxoethyl)-1H-imidazol-3-ium chloride","","- C19 H19 Cl N4 O2 -","- C19 H19 Cl N4 O2 -","- C76 H76 Cl4 N16 O8 -","4","1","RZ2771","Liao, Chuang-Yi; Lee, Hon Man","1,3-Bis(2-anilino-2-oxoethyl)-1H-imidazol-3-ium chloride","Acta Crystallographica Section E","2012","68","7","o2232","","10.1107/S1600536812027110","","","0.71073","MoKα","","0.122","0.0464","","","0.0812","0.0963","","","","","","0.915","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235609","8.4176","0.0001","10.6541","0.0001","17.4933","0.0002","90","","90.1","0.001","90","","1568.83","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-1-(4-Bromophenyl)ethylidene]-2-(2-methyl-4-nitro- 1H-imidazol-1-yl)acetohydrazide","","- C14 H14 Br N5 O3 -","- C14 H14 Br N5 O3 -","- C56 H56 Br4 N20 O12 -","4","1","RZ2774","Fun, Hoong-Kun; Quah, Ching Kheng; Frank, Priya V.; Damodara, N.; Kalluraya, Balakrishna","N'-[(E)-1-(4-Bromophenyl)ethylidene]-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2192","","10.1107/S160053681202795X","","","0.71073","MoKα","","0.0461","0.0316","","","0.0766","0.0818","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235610","27.41","0.0011","7.9055","0.0004","18.8291","0.0007","90","","90","","90","","4080.1","0.3","291","2","291","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo- 2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","","- C36 H27 Br8 Cu2 N4 O4 -","- C36 H27 Br8 Cu2 N4 O4 -","- C144 H108 Br32 Cu8 N16 O16 -","4","1","RZ2776","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","catena-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]","Acta Crystallographica Section E","2012","68","7","m1018","m1019","10.1107/S1600536812029285","","","0.71073","MoKα","","0.0878","0.0422","","","0.0592","0.0677","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235611","18.6118","0.0014","15.051","0.0012","5.9227","0.0005","90","","90.0005","0.0015","90","","1659.1","0.2","100","1","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop- 2-en-1-one","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C84 H72 O8 S4 -","4","2","RZ2777","Fun, Hoong-Kun; Chia, Tze Shyang; Padaki, Mahesh; Isloor, Arun M.; Ismail, A. F.","(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2277","o2278","10.1107/S1600536812028930","","","0.71073","MoKα","","0.0588","0.0546","","","0.1322","0.136","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235612","9.6818","0.0005","9.6818","0.0005","44.017","0.003","90","","90","","90","","4126","0.4","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","3-(1H-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C136 H120 N24 O48 S8 -","8","1","SJ5218","Khan, Islam Ullah; Mubashar-ur-Rehman, Hafiz; Aziz, Salman; Harrison, William T. A.","3-(1H-Indol-3-yl)-2-(2-nitrobenzenesulfonamido)propanoic acid including an unknown solvate","Acta Crystallographica Section E","2012","68","7","o2019","","10.1107/S1600536812023446","","","0.71073","MoKα","","0.0773","0.0666","","","0.162","0.1677","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235613","9.6","0.005","7.548","0.004","25.802","0.014","90","","95.1","0.01","90","","1862.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-4-(Dimethylamino)benzylidene]-2-(5-methoxy-2- methyl-1H-indol-3-yl)acetohydrazide","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","SJ5239","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","N'-[(E)-4-(Dimethylamino)benzylidene]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2099","","10.1107/S1600536812026013","","","0.71075","MoKα","","0.0996","0.0691","","","0.1413","0.1594","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235614","8.7346","0.0004","9.4464","0.0006","13.7373","0.0008","94.258","0.005","103.505","0.005","105.227","0.005","1052.28","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(2-{[4-Oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}ethyl)-2,3- dihydro-1H-isoindole-1,3-dione","","- C26 H21 N3 O3 S -","- C26 H21 N3 O3 S -","- C52 H42 N6 O6 S2 -","2","1","SJ5240","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Obaid, Abdulrahman M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(2-{[4-Oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}ethyl)-2,3-dihydro-1H-isoindole-1,3-dione","Acta Crystallographica Section E","2012","68","7","o2057","o2058","10.1107/S1600536812025883","","","1.54184","CuKα","","0.0622","0.0487","","","0.1254","0.139","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235615","22.296","0.002","8.0444","0.0007","20.915","0.002","90","","98.521","0.006","90","","3709.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl 4-methylbenzenesulfonate","","- C18 H18 N2 O5 S2 -","- C18 H18 N2 O5 S2 -","- C144 H144 N16 O40 S16 -","8","1","SJ5243","Murtaza, Shahzad; Kausar, Naghmana; Tahir, M. Nawaz; Tariq, Javaria; Bibi, Samaira","5-Methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2196","","10.1107/S1600536812027717","","","0.71073","MoKα","","0.1048","0.0567","","","0.1096","0.1277","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235616","14.1279","0.0009","11.6313","0.0007","15.378","0.0009","90","","93.358","0.001","90","","2522.7","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]- 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate","","- C27 H31 N3 O7 -","- C27 H31 N3 O7 -","- C108 H124 N12 O28 -","4","1","SJ5244","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Shivananda, Kammasandra Nanjunda; Isloor, Arun M.","Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate","Acta Crystallographica Section E","2012","68","7","o2210","o2211","10.1107/S1600536812027936","","","0.71073","MoKα","","0.0601","0.0418","","","0.1159","0.1309","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235617","9.1733","0.0005","12.2369","0.0005","13.0988","0.0006","90","","98.203","0.005","90","","1455.33","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-κ^4^N:N-bis({2-[(3-amino-2,2- dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1κ^3^N,N',O^1^}copper(II))","","- C26 H38 Cu2 N10 O4 -","- C26 H38 Cu2 N10 O4 -","- C52 H76 Cu4 N20 O8 -","2","0.5","SJ5249","Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.","Di-μ-azido-κ^4^N:N-bis({2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^N,N',O^1^}copper(II))","Acta Crystallographica Section E","2012","68","7","m993","m994","10.1107/S1600536812028954","","","0.71073","MoKα","","0.0539","0.0387","","","0.0909","0.1048","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235618","8.7702","0.0006","10.7954","0.0007","11.9203","0.0008","80.409","0.003","80.952","0.003","81.73","0.003","1090.92","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Aminocarbonyl)pyridinium diaquabis(pyridine-2,6-dicarboxylato)bismuthate(III) monohydrate","","- C20 H19 Bi N4 O12 -","- C20 H19 Bi N4 O12 -","- C40 H38 Bi2 N8 O24 -","2","1","SU2401","Soleimannejad, Janet; Gholizadeh, Samira","3-(Aminocarbonyl)pyridinium diaqua-bis(pyridine-2,6-dicarboxylato)bismuthate(III) monohydrate","Acta Crystallographica Section E","2012","68","7","m952","m953","10.1107/S160053681202630X","","","0.71073","MoKα","","0.0423","0.0397","","","0.1022","0.1038","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235619","6.0798","0.0002","4.8565","0.0001","15.1126","0.0005","90","","98.003","0.002","90","","441.88","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(4-Bromophenyl)acetohydrazide","","- C8 H9 Br N2 O -","- C8 H9 Br N2 O -","- C16 H18 Br2 N4 O2 -","2","1","SU2429","Ahmad, Shakeel; Jabbar, Abdul; Hussain, Muhammad Tahir; Tahir, M. Nawaz","2-(4-Bromophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","7","o2269","","10.1107/S1600536812027006","","","0.71073","MoKα","","0.0264","0.0233","","","0.0575","0.0585","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235620","4.57","0.0003","9.4947","0.0007","9.892","0.0008","67.986","0.007","77.487","0.006","84.132","0.006","388.37","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,2-Bis[3-(prop-2-yn-1-yloxy)benzylidene]hydrazine","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","1","0.5","SU2430","Al-Mehana, Wisam Naji Atiyah; Yahya, Rosiyah; Sonsudin, Faridah; Lo, Kong Mun","(E,E)-1,2-Bis[3-(prop-2-yn-1-yloxy)benzylidene]hydrazine","Acta Crystallographica Section E","2012","68","7","o2087","","10.1107/S1600536812025524","","","0.71073","MoKα","","0.0478","0.0407","","","0.1141","0.1217","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235621","6.7186","0.001","7.6942","0.0012","8.2462","0.0013","65.29","0.011","75.499","0.012","68.207","0.011","357.28","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","butane-1,4-diyl dinicotinate","Butane-1,4-diyl bis(pyridine-3-carboxylate)","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","1","0.5","SU2433","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Butane-1,4-diyl bis(pyridine-3-carboxylate)","Acta Crystallographica Section E","2012","68","7","o2007","","10.1107/S160053681202260X","","","0.71073","MoKα","","0.0465","0.0376","","","0.0871","0.0903","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235622","9.661","0.003","12.422","0.004","14.007","0.004","72.11","0.005","82.697","0.006","70.184","0.005","1504.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro- 3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","","- C31 H37 Cl N4 O3 -","- C31 H37 Cl N4 O3 -","- C62 H74 Cl2 N8 O6 -","2","1","SU2435","He, Ping; Wan, Qin-Qin; Liao, Quan-Lei","Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate","Acta Crystallographica Section E","2012","68","7","o1990","o1991","10.1107/S1600536812024609","","","0.71073","MoKα","","0.0756","0.0541","","","0.1653","0.1822","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235623","6.2216","0.0005","7.4096","0.0006","7.7833","0.0006","110.867","0.002","93.667","0.002","90.748","0.003","334.34","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzyl alcohol","(4-nitrophenyl)methanol","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C14 H14 N2 O6 -","2","1","SU2438","Císařová, Ivana; Štěpnička, Petr","(4-Nitrophenyl)methanol","Acta Crystallographica Section E","2012","68","7","o2012","","10.1107/S1600536812024865","","","0.71073","MoKα","","0.0369","0.0316","","","0.0943","0.0987","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235624","11.917","0.008","11.899","0.008","12.354","0.008","90","","108.22","0.005","90","","1664","1.9","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^N,N'][1-(pyrazin-2-yl)ethanone oxime-κ^2^N,N'](thiocyanato-κN)nickel(II)","","- C13 H15 N7 Ni O3 S -","- C13 H15 N7 Ni O3 S -","- C52 H60 N28 Ni4 O12 S4 -","4","1","SU2441","Pang, Ting; Liu, Jia-Cheng; Sun, Zan; Xiao, Chao-Hu; Cao, Ping","Aqua[1-(pyrazin-2-yl)ethanone oximato-κ^2^N,N'][1-(pyrazin-2-yl)ethanone oxime-κ^2^N,N'](thiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2012","68","7","m883","","10.1107/S1600536812024622","","","0.71073","MoKα","","0.0213","0.0198","","","0.0446","0.0452","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235625","16.682","0.002","15.9978","0.0019","8.792","0.0009","90","","90","","90","","2346.4","0.5","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","","- C19 H16 I4 N2 Ni O2 -","- C19 H16 I4 N2 Ni O2 -","- C76 H64 I16 N8 Ni4 O8 -","4","0.5","SU2444","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2012","68","7","m935","","10.1107/S1600536812024944","","","0.71073","MoKα","","0.0869","0.0434","","","0.0801","0.0957","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235626","8.5802","0.0001","9.4744","0.0001","23.3732","0.0002","90","","91.018","0.001","90","","1899.76","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-Bis[(4-methoxyphenyl)sulfanyl]-1-methylpiperidin-2-one","","- C20 H23 N O3 S2 -","- C20 H23 N O3 S2 -","- C80 H92 N4 O12 S8 -","4","1","SU2445","Caracelli, Ignez; Olivato, Paulo R.; Cerqueira, Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","3,3-Bis[(4-methoxyphenyl)sulfanyl]-1-methylpiperidin-2-one","Acta Crystallographica Section E","2012","68","7","o2076","o2077","10.1107/S1600536812025202","","","1.54184","CuKα","","0.0317","0.0291","","","0.0745","0.0763","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235627","9.501","0.0019","12.936","0.003","12.551","0.004","90","","124.81","0.02","90","","1266.5","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Hydroxy-2-{[(2-phenylethyl)iminiumyl]methyl}phenolate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","SU2447","Ortegon-Reyna, David; Garcias-Morales, Cesar; García-Báez, Efren V.; Ariza-Castolo, Armando; Martínez-Martínez, Francisco J.","(E)-4-Hydroxy-2-{[(2-phenylethyl)iminiumyl]methyl}phenolate","Acta Crystallographica Section E","2012","68","7","o2075","","10.1107/S1600536812025408","","","0.71073","MoKα","","0.0498","0.0412","","","0.1021","0.1066","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235628","5.6424","0.0003","18.3221","0.0012","14.7164","0.0009","90","","94.087","0.003","90","","1517.52","0.16","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-2-hydroxybenzohydrazide","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","SU2448","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","4-Amino-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2117","","10.1107/S1600536812026190","","","0.71073","MoKα","","0.0823","0.0453","","","0.1136","0.1327","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235629","9.4243","0.0008","9.7975","0.0009","14.1924","0.001","90","","90","","90","","1310.45","0.19","296","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(E)-4-Amino-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","SU2449","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-Amino-N'-(5-chloro-2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2118","o2119","10.1107/S1600536812025974","","","0.71073","MoKα","","0.043","0.0351","","","0.0798","0.0841","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235630","15.8435","0.0011","7.1718","0.0006","12.6462","0.0008","90","","101.391","0.003","90","","1408.64","0.18","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-Amino-N'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C56 H56 Br4 N12 O12 -","4","1","SU2450","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-Amino-N'-(5-bromo-2-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2120","","10.1107/S1600536812025950","","","0.71073","MoKα","","0.0412","0.0298","","","0.0728","0.0768","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235631","11.2812","0.0007","22.5897","0.0015","17.6777","0.0012","90","","107.159","0.003","90","","4304.4","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua{4,4',6,6'-tetrachloro-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}zinc","","- C19 H18 Cl4 N2 O3 Zn -","- C19 H18 Cl4 N2 O3 Zn -","- C152 H144 Cl32 N16 O24 Zn8 -","8","2","SU2451","Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz","Aqua{4,4',6,6'-tetrachloro-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}zinc","Acta Crystallographica Section E","2012","68","7","m936","m937","10.1107/S1600536812025986","","","0.71073","MoKα","","0.0989","0.0467","","","0.0791","0.094","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235632","14.2586","0.0007","13.1416","0.0008","7.7524","0.0003","90","","105.215","0.005","90","","1401.73","0.13","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylbenzyl)-3-nitroanilinium chloride","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","SU2452","Daković, Marijana; Portada, Tomislav; Ugrinovski, Dora","N-(4-Methylbenzyl)-3-nitroanilinium chloride","Acta Crystallographica Section E","2012","68","7","o2152","","10.1107/S1600536812026281","","","0.71073","MoKα","","0.0783","0.0429","","","0.1045","0.1131","","","","","","0.883","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235633","8.8557","0.0007","9.5113","0.0006","11.373","0.0007","99.682","0.005","101.432","0.006","97.211","0.006","912.96","0.11","180","0.1","180","1","","","","","","","","4","P -1","-P 1","2","2-(4-Bromophenyl)-N-[3-(1H-imidazol-1-yl)propyl]quinazolin-4-amine","","","- C20 H18 Br N5 -","- C20 H18 Br N5 -","- C40 H36 Br2 N10 -","2","1","SU2454","Pérez-Fehrmann, Marcia; Kesternich, Victor; Verdugo, Felipe; Christen, Philippe; Besnard, Céline","2-(4-Bromophenyl)-N-[3-(1H-imidazol-1-yl)propyl]quinazolin-4-amine","Acta Crystallographica Section E","2012","68","7","o2249","","10.1107/S1600536812028115","","","1.5418","CuKα","","0.0749","0.0728","","","0.2136","0.2163","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235634","8.7826","0.0004","10.3999","0.0005","11.1827","0.0003","90","","90","","90","","1021.41","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-4-(2-Hydroxyanilino)pent-3-en-2-one","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","SU2455","Fatiha, Benghanem; Saida, Keraghel; Safia, Chahmana; Ali, Ourari; Lydia, Brelot","(Z)-4-(2-Hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section E","2012","68","7","o2188","o2189","10.1107/S1600536812027894","","","0.71073","MoKα","","0.051","0.0472","","","0.1213","0.1255","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235635","13.7966","0.0009","3.9648","0.0003","14.07","0.0008","90","","97.039","0.005","90","","763.84","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydrazinylquinoline","","- C9 H9 N3 -","- C9 H9 N3 -","- C36 H36 N12 -","4","1","SU2456","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Hydrazinylquinoline","Acta Crystallographica Section E","2012","68","7","o2138","","10.1107/S1600536812026906","","","1.54184","CuKα","","0.0658","0.0515","","","0.1424","0.1584","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235636","10.2717","0.0008","11.5668","0.001","11.9152","0.0009","94.544","0.003","100.583","0.003","95.88","0.003","1377.28","0.19","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-Amino-N'-(2-hydroxy-5-methylbenzylidene)benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","SU2458","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-Amino-N'-(2-hydroxy-5-methylbenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2185","o2186","10.1107/S1600536812027948","","","0.71073","MoKα","","0.0788","0.0471","","","0.1197","0.1371","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235637","20.0505","0.0014","10.146","0.0009","9.0579","0.0006","90","","114.955","0.004","90","","1670.6","0.2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,6-Dichloro-2-[(E)-(2-{[(E)-3,5-dichloro-2-oxidobenzylidene]azaniumyl}ethyl)iminiumylmethyl]phenolate","","- C16 H12 Cl4 N2 O2 -","- C16 H12 Cl4 N2 O2 -","- C64 H48 Cl16 N8 O8 -","4","0.5","SU2459","Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dichloro-2-[(E)-(2-{[(E)-3,5-dichloro-2-oxidobenzylidene]azaniumyl}ethyl)iminiumylmethyl]phenolate","Acta Crystallographica Section E","2012","68","7","o2242","o2243","10.1107/S160053681202870X","","","0.71073","MoKα","","0.0816","0.0417","","","0.0829","0.0969","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235638","15.871","0.003","12.505","0.003","9.4133","0.0018","90","","90","","90","","1868.2","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dichloro-2-((E)-{4-[(E)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","","- C18 H16 Cl4 N2 O2 -","- C18 H16 Cl4 N2 O2 -","- C72 H64 Cl16 N8 O8 -","4","0.5","SU2460","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dichloro-2-((E)-{4-[(E)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol","Acta Crystallographica Section E","2012","68","7","o2244","o2245","10.1107/S1600536812028693","","","0.71073","MoKα","","0.092","0.045","","","0.0791","0.095","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235639","15.9537","0.0012","12.8784","0.001","9.5566","0.0006","90","","90","","90","","1963.5","0.2","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4,6-Dibromo-2-[(E)-(4-{[(E)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","","- C18 H16 Br4 N2 O2 -","- C18 H16 Br4 N2 O2 -","- C72 H64 Br16 N8 O8 -","4","0.5","SU2461","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,6-Dibromo-2-[(E)-(4-{[(E)-3,5-dibromo-2-hydroxybenzylidene]amino}butyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","7","o2270","o2271","10.1107/S1600536812028863","","","0.71073","MoKα","","0.0747","0.0347","","","0.065","0.0743","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235640","9.7392","0.0011","19.165","0.002","15.0197","0.0014","90","","93.236","0.003","90","","2799","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(dimethylformamide-κO){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}nickel(II)","","- C24 H28 Cl4 N4 Ni O4 -","- C24 H28 Cl4 N4 Ni O4 -","- C96 H112 Cl16 N16 Ni4 O16 -","4","1","SU2463","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","Bis(dimethylformamide-κO){4,4',6,6'-tetrachloro-2,2-[butane-1,4-diyl(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}nickel(II)","Acta Crystallographica Section E","2012","68","7","m997","m998","10.1107/S1600536812028681","","","0.71073","MoKα","","0.082","0.0438","","","0.1043","0.1232","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235641","11.8864","0.0004","13.6276","0.0005","31.0273","0.001","90","","90","","90","","5025.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-3,6-dimethyl-1-phenyl-1H,4H- pyrano[2,3-c]pyrazol-4-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C224 H176 Cl16 N32 O32 -","16","2","SU2466","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Chloro-3,6-dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one","Acta Crystallographica Section E","2012","68","7","o2257","","10.1107/S1600536812028528","","","0.71073","MoKα","","0.0606","0.0444","","","0.1064","0.1173","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235642","7.9698","0.0003","17.5466","0.0008","20.135","0.0008","90","","90","","90","","2815.7","0.2","120.1","0.1","120.1","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(Adamantan-2-ylidene)benzohydrazide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","1","SU2467","Almutairi, Maha S.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","N'-(Adamantan-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2247","o2248","10.1107/S1600536812028644","","","1.54184","CuKα","","0.0792","0.0505","","","0.1207","0.1388","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235643","5.9516","0.0005","8.5188","0.0007","10.2036","0.0008","66.985","0.008","80.38","0.007","78.311","0.007","464.05","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Hydroxy-2-trifluoromethyl-3,4-dihydro-2H-1-benzopyran-4-one","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C20 H14 F6 O6 -","2","1","SU2468","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Hydroxy-2-trifluoromethyl-3,4-dihydro-2H-1-benzopyran-4-one","Acta Crystallographica Section E","2012","68","7","o2299","","10.1107/S1600536812029170","","","0.71073","MoKα","","0.0676","0.0514","","","0.148","0.1708","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235644","12.3035","0.0007","11.656","0.0007","20.7112","0.001","90","","90","","90","","2970.2","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(2,2'-bipyridyl-κ^2^N,N')nickel(II) sulfate","","- C10 H16 N2 Ni O8 S -","- C10 H16 N2 Ni O8 S -","- C80 H128 N16 Ni8 O64 S8 -","8","1","TK5105","Boonlue, Sujirat; Theppitak, Chatphorn; Chainok, Kittipong","Tetraaqua(2,2'-bipyridine-κ^2^N,N')nickel(II) sulfate","Acta Crystallographica Section E","2012","68","7","m908","","10.1107/S160053681202538X","","","0.71073","MoKα","","0.0499","0.0389","","","0.0857","0.0917","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235645","10.7434","0.0005","10.9408","0.0005","14.7225","0.0006","100.085","0.004","102.451","0.004","110.329","0.004","1524.34","0.14","223","","223","","","","","","","","","4","P -1","-P 1","2","","Methyl 3-[4-(4-nitrobenzyloxy)phenyl]propanoate","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","2","TK5106","Servinis, Linden; Fox, Bronwyn L.; Healy, Peter C.; Henderson, Luke C.","Methyl 3-[4-(4-nitrobenzyloxy)phenyl]propanoate","Acta Crystallographica Section E","2012","68","7","o1997","o1998","10.1107/S1600536812024701","","","0.7107","MoKα","","0.0549","0.044","","","0.1066","0.1133","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235646","31.7117","0.0012","7.4378","0.0003","24.7885","0.0009","90","","110.592","0.002","90","","5473.2","0.4","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium tris(thiocyanato-κN)[tris(1H-pyrazol-1-yl- κN^2^)methane]nickelate(II)","","- C21 H30 N10 Ni S3 -","- C21 H30 N10 Ni S3 -","- C168 H240 N80 Ni8 S24 -","8","1","TK5107","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad; Jeon, Hee Kyung","Tetraethylammonium tris(thiocyanato-κN)[tris(1H-pyrazol-1-yl-κN^2^)methane]nickelate(II)","Acta Crystallographica Section E","2012","68","7","m888","","10.1107/S1600536812024774","","","1.54178","CuKα","","0.0582","0.0544","","","0.1818","0.1862","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235647","6.0621","0.0001","17.2963","0.0003","18.5398","0.0003","90","","90","","90","","1943.93","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","TK5109","Pozza Silveira, Gustavo; Bonfante de Carvallho, Cassandra; Oliver, Allen","(R)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2048","","10.1107/S160053681202569X","","","1.54178","CuKα","","0.0289","0.0274","","","0.0702","0.0709","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235648","9.4557","0.0007","11.058","0.0006","11.0715","0.0008","113.187","0.006","99.919","0.006","92.815","0.005","1039.46","0.13","200","","200","","","","","","","","","4","P 1","P 1","1","","Dicyclohexylammonium (S)-2-azido-3-phenylpropanoate","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","2","TK5110","Petrik, Sebastian J.; Brown, Christopher L.; Boyd, Sue E.; Healy, Peter C.","Dicyclohexylammonium (S)-2-azido-3-phenylpropanoate","Acta Crystallographica Section E","2012","68","7","o2050","","10.1107/S1600536812025536","","","0.7107","MoKα","","0.0488","0.0415","","","0.0959","0.1002","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235649","9.0486","0.0003","9.4105","0.0003","33.4876","0.001","90","","90","","90","","2851.53","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5H)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C128 H96 Cl8 N8 O8 S8 -","8","1","TK5111","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","(Z)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5H)-one","Acta Crystallographica Section E","2012","68","7","o2130","","10.1107/S1600536812026608","","","0.71073","MoKα","","0.0648","0.0469","","","0.1089","0.1179","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235650","7.4947","0.0001","8.4366","0.0002","23.8574","0.0006","90","","99.365","0.001","90","","1488.39","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-trinitrophenyl 3-methylbenzoate","2,4,6-Trinitrophenyl 3-methylbenzoate","","- C14 H9 N3 O8 -","- C14 H9 N3 O8 -","- C56 H36 N12 O32 -","4","1","TK5112","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.","2,4,6-Trinitrophenyl 3-methylbenzoate","Acta Crystallographica Section E","2012","68","7","o2187","","10.1107/S1600536812027407","","","0.71073","MoKα","","0.058","0.0443","","","0.1179","0.1263","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235651","9.8237","0.0003","16.8736","0.0005","10.8886","0.0003","90","","102.89","0.003","90","","1759.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-Dicyclohexylcyclohexanecarboxamide","","- C19 H33 N O -","- C19 H33 N O -","- C76 H132 N4 O4 -","4","1","TK5114","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Jasinski, Jerry P.; Keeley, Amanda C.","N,N-Dicyclohexylcyclohexanecarboxamide","Acta Crystallographica Section E","2012","68","7","o2215","","10.1107/S1600536812027766","","","1.54184","CuKα","","0.0479","0.0443","","","0.1191","0.1227","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235652","8.0876","0.0004","9.2013","0.0004","12.1613","0.0006","94.376","0.002","102.827","0.001","95.972","0.002","873","0.07","293","","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3- carbonitrile 1,4-dioxane hemisolvate","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C38 H40 N4 O8 -","2","1","TK5115","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Younes, Sabry H. H.","2-Amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2012","68","7","o2178","o2179","10.1107/S1600536812027729","","","0.71073","MoKα","","0.0741","0.0591","","","0.1766","0.1941","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235653","9.0579","0.0001","12.5733","0.0001","16.4386","0.0002","90","","90.5917","0.0004","90","","1872.05","0.03","90","0.2","90","0.2","","","","","","","","7","P 1 c 1","P -2yc","7","","Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]sodium trifluoromethanesulfonate","","- C33 H44 F3 N12 Na O3 S -","- C33 H44 F3 N12 Na O3 S -","- C66 H88 F6 N24 Na2 O6 S2 -","2","1","TK5119","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[tris(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)methyl]sodium trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","7","m973","","10.1107/S1600536812028413","","","0.71073","MoKα","","0.0527","0.0412","","","0.1054","0.1121","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235654","18.288","0.002","8.713","0.003","19.018","0.002","90","","90","","90","","3030.4","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C120 H96 Br8 Cl8 N16 O32 -","8","1","VM2167","Zhu, Hui; Jiang, Hui-Hui; Zhu, Hai-Liang","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","7","o2023","","10.1107/S1600536812023859","","","0.71073","MoKα","","0.1104","0.0503","","","0.1322","0.1486","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235655","8.5896","0.0017","18.092","0.004","15.615","0.003","90","","95.61","0.03","90","","2415","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra-μ-cyanido-1:2κ^2^C:N;2:3κ^2^N:C; 3:4κ^2^C:N;4:1κ^2^N:C-tetracyanido- 1κ^2^C,3κ^2^C-bis(1,4,7-triisopropyl-1,4,7- triazacyclononane)-2κ^3^N,N',N''; 4κ^3^N,N',N''-dicopper(II)dinickel(II) tetrahydrate","","- C38 H74 Cu2 N14 Ni2 O4 -","- C38 H74 Cu2 N14 Ni2 O4 -","- C76 H148 Cu4 N28 Ni4 O8 -","2","0.5","VM2171","Cui, Hong-Xia; Wang, Yan-Chao","Discrete water clusters in tetra-μ-cyanido-tetracyanidobis(1,4,7-triisopropyl-1,4,7-triazacyclononane)dicopper(II)dinickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","7","m880","m881","10.1107/S1600536812024282","","","0.71073","MoKα","","0.0474","0.0339","","","0.069","0.0739","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235656","7.4727","0.0006","10.4704","0.0008","12.2796","0.0008","90.384","0.006","100.716","0.006","94.365","0.006","941.08","0.12","119.9","","119.9","","","","","","","","","4","P -1","-P 1","2","","Methyl 2-{4-chloro-2-[5-chloro-2-(2-methoxy-2-oxoethoxy)benzyl]phenoxy}acetate","","- C19 H18 Cl2 O6 -","- C19 H18 Cl2 O6 -","- C38 H36 Cl4 O12 -","2","1","VM2175","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","Methyl 2-{4-chloro-2-[5-chloro-2-(2-methoxy-2-oxoethoxy)benzyl]phenoxy}acetate","Acta Crystallographica Section E","2012","68","7","o2066","","10.1107/S160053681202555X","","","1.5418","CuKα","","0.0934","0.0799","","","0.2211","0.2393","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235657","5.8976","0.001","11.511","0.002","13.46","0.002","103.956","0.004","90.078","0.003","104.804","0.003","855.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","VM2177","Zhang, Zhao-Po; Wu, Wei-Na","Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate","Acta Crystallographica Section E","2012","68","7","o2133","","10.1107/S1600536812026700","","","0.71073","MoKα","","0.1053","0.0582","","","0.1294","0.1499","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235658","8.1684","0.0016","12.691","0.003","13.289","0.003","65.48","0.03","79.66","0.03","84.3","0.03","1232.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-[(1H-benzotriazol-1-yl)methyl]-2-methyl-1H-imidazole- κN^3^}dichloridocobalt(II)","","- C22 H22 Cl2 Co N10 -","- C22 H22 Cl2 Co N10 -","- C44 H44 Cl4 Co2 N20 -","2","1","VM2178","Yang, Haiyan; Li, Yinghua; Zhao, Yaomin; Li, Wenzhuo; He, Fang","Bis{1-[(1H-benzotriazol-1-yl)methyl]-2-methyl-1H-imidazole-κN^3^}dichloridocobalt(II)","Acta Crystallographica Section E","2012","68","7","m948","","10.1107/S1600536812026712","","","0.71073","MoKα","","0.0657","0.0492","","","0.0936","0.1007","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235659","7.3901","0.0015","17.586","0.004","20.995","0.005","90","","107.941","0.011","90","","2595.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium trans-diaquadioxalatochromate(III)","","- C9 H11 Cr N2 O10 -","- C9 H11 Cr N2 O10 -","- C72 H88 Cr8 N16 O80 -","8","2","VN2039","Chérif, Ichraf; Zid, Mohamed Faouzi; El-Ghozzi, Malika; Avignant, Daniel","3-Aminopyridinium trans-diaquadioxalatochromate(III)","Acta Crystallographica Section E","2012","68","7","m900","m901","10.1107/S1600536812025020","","","0.71073","MoKα","","0.0654","0.0388","","","0.0984","0.1118","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235660","8.683","0.0017","10.797","0.002","16.158","0.003","90","","90","","90","","1514.8","0.5","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","catena-Poly[[gallium(III)-bis[μ-D/L-tartrato(2-)]- gallium(III)-di-μ-hydroxido] dihydrate]","","- C8 H14 Ga2 O16 -","- C8 H14 Ga2 O16 -","- C32 H56 Ga8 O64 -","4","0.25","VN2042","Liu, Xiaojing; Tian, Ruijing; Zhang, Cailing; Zhi, Xia; Pan, Qinhe","catena-Poly[[gallium(III)-bis[μ-D/L-tartrato(2{-})]-gallium(III)-di-μ-hydroxido] dihydrate]","Acta Crystallographica Section E","2012","68","7","m989","m990","10.1107/S1600536812028188","","","0.71073","MoKα","","0.0408","0.0313","","","0.0708","0.0742","","","","","","1.142","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235661","11.2923","0.0015","12.0868","0.0014","12.822","0.0015","62.324","0.009","88.427","0.01","88.512","0.01","1549.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κN)bis(selenocyanato-κN)nickel(II) pyridazine disolvate","","- C26 H24 N14 Ni Se2 -","- C26 H24 N14 Ni Se2 -","- C52 H48 N28 Ni2 Se4 -","2","1","VN2044","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κN)bis(selenocyanato-κN)nickel(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","7","m969","","10.1107/S1600536812028036","","","0.71073","MoKα","","0.0939","0.0529","","","0.1133","0.129","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235662","19.3119","0.0018","7.5303","0.0007","16.0769","0.0015","90","","100.912","0.002","90","","2295.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[N,N'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine- κ^2^N,N']tetracarbonylchromium(0)","","- C24 H24 Cr N2 O4 -","- C24 H24 Cr N2 O4 -","- C96 H96 Cr4 N8 O16 -","4","1","WM2632","Landman, Marilé; Fraser, Roan; Pretorius, René; Prinsloo, Rohen; Liles, David C.; van Rooyen, Petrus H.","[N,N'-Bis(2,4,6-trimethylphenyl)ethane-1,2-diimine-κ^2^N,N']tetracarbonylchromium(0)","Acta Crystallographica Section E","2012","68","7","m930","","10.1107/S1600536812024786","","","0.71073","MoKα","","0.0293","0.0291","","","0.0743","0.0746","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235663","6.6996","0.0002","9.1145","0.0003","11.6207","0.0003","69.8257","0.001","88.929","0.0011","69.217","0.0011","618.36","0.03","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","Tetraaquatris(nitrato-κ^2^O,O')gadolinium(III) dihydrate","","- Gd H12 N3 O15 -","- Gd H12 N3 O15 -","- Gd2 H24 N6 O30 -","2","1","WM2634","Taha, Ziyad A.; Ajlouni, Abdulaziz; Hijazi, Ahmed K.; Kühn, Fritz E.; Herdtweck, Eberhardt","Redetermination of [Gd(NO~3~)~3~(H~2~O)~4~]·2H~2~O","Acta Crystallographica Section E","2012","68","7","i56","i57","10.1107/S1600536812028000","","","0.71073","MoKα","","0.0158","0.0157","","","0.0413","0.0413","","","","","","1.199","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235664","9.7372","0.0007","10.1619","0.0005","11.6637","0.0005","74.171","0.004","74.379","0.005","79.748","0.005","1062.5","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(μ~3~-2-hydroxy- 5-sulfonatobenzoato)] acetic acid monosolvate]","","- C40 H32 N4 O16 Pb2 S2 -","- C40 H32 N4 O16 Pb2 S2 -","- C40 H32 N4 O16 Pb2 S2 -","1","0.5","WM2635","Cheng, Yuan-Zheng; Shi, Wei-Wei; Wang, Xue-Dong; Deng, Shu-E; Zhang, Li-Ping","catena-Poly[[bis[aqua(1,10-phenanthroline)lead(II)]-bis(μ~3~-2-hydroxy-5-sulfonatobenzoato)] acetic acid monosolvate]","Acta Crystallographica Section E","2012","68","7","m878","m879","10.1107/S160053681202421X","","","0.71073","MoKα","","0.0297","0.0265","","","0.0626","0.064","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235665","7.9865","0.0001","17.5031","0.0003","14.9484","0.0003","90","","105.406","0.001","90","","2014.53","0.06","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Dimethylammonium dichloridotriphenylstannate(IV)","","- C20 H23 Cl2 N Sn -","- C20 H23 Cl2 N Sn -","- C80 H92 Cl8 N4 Sn4 -","4","1","WM2636","Sow, Yaya; Diop, Libasse; Kociok-Kohn, Gabriele; Molloy, Kieran C.","Dimethylammonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2012","68","7","m1015","m1016","10.1107/S1600536812028905","","","0.71073","MoKα","","0.0229","0.0209","","","0.0443","0.0448","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235666","5.818","0.005","9.667","0.005","11.46","0.005","95.241","0.005","90.336","0.005","93.691","0.005","640.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Phenazinium methyl sulfate","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C26 H24 N4 O8 S2 -","2","1","WM2637","Zhang, Nai-Qiang; Li, Ping; Dong, Jian; Chen, Hong-Yu","Phenazinium methyl sulfate","Acta Crystallographica Section E","2012","68","7","o2101","","10.1107/S1600536812026025","","","0.71069","MoKα","","0.0705","0.0658","","","0.1787","0.1853","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235667","7.4813","0.0006","14.9431","0.0012","11.3323","0.0009","90","","98.66","0.009","90","","1252.44","0.18","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[tricarbonyl-1κ^3^C-(1η^5^- cyclopentadienyl)lead(II)molybdenum(0)](Mo—Pb)-μ~3~-acetato- 2':2:2''κ^4^O:O,O':O']","","- C10 H8 Mo O5 Pb -","- C10 H8 Mo O5 Pb -","- C40 H32 Mo4 O20 Pb4 -","4","1","WM2639","Gerdes, Eberhard; Merzweiler, Kurt","catena-Poly[[tricarbonyl-1κ^3^C-(1η^5^-cyclopentadienyl)lead(II)molybdenum(0)](Mo—Pb)-μ~3~-acetato-2':2:2''κ^4^O:O,O':O']","Acta Crystallographica Section E","2012","68","7","m869","","10.1107/S1600536812024737","","","0.71073","MoKα","","0.0303","0.0242","","","0.0548","0.0562","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235668","7.7349","0.0013","9.4467","0.0016","11.2063","0.0018","102.284","0.002","106.059","0.002","107.003","0.002","713","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(nitrato-κ^2^O,O')bis(1,10-phenanthroline- κ^2^N,N')-μ~3~-succinato-dicadmium]","","- C28 H24 Cd2 N6 O12 -","- C28 H24 Cd2 N6 O12 -","- C28 H24 Cd2 N6 O12 -","1","0.5","WM2640","Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong","Poly[diaquabis(nitrato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')-μ~3~-succinato-dicadmium]","Acta Crystallographica Section E","2012","68","7","m899","","10.1107/S1600536812025287","","","0.71073","MoKα","","0.0332","0.0256","","","0.0625","0.0864","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235669","8.8694","0.0002","8.8694","0.0002","21.6074","0.0007","90","","90","","120","","1472.05","0.07","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","[iron(III)/manganese(II)] tris(orthophosphate)","","- Fe1.6 Mn0.4 Na3.4 O12 P3 -","- Fe1.5982 Mn0.4018 Na3.407 O12 P3 -","- Fe9.5892 Mn2.4108 Na20.442 O72 P18 -","6","0.166667","WM2642","Yatskin, Michael M.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","NASICON-related Na~3.4~Mn~0.4~Fe~1.6~(PO~4~)~3~","Acta Crystallographica Section E","2012","68","7","i55","","10.1107/S1600536812027584","","","0.71073","MoKα","","0.0333","0.0279","","","","0.0717","","","","","","1.229","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235670","6.8842","0.0007","15.289","0.002","11.4353","0.0012","90","","95.192","0.008","90","","1198.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(acetonitrile-κN)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate","","- C9 H8 B F4 Fe N O2 -","- C9 H8 B F4 Fe N O2 -","- C36 H32 B4 F16 Fe4 N4 O8 -","4","1","WM2643","Kückmann, Theresa; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of (acetonitrile-κN)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","7","m966","","10.1107/S1600536812027857","","","0.71073","MoKα","","0.0607","0.0553","","","0.1454","0.1509","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235671","4.1678","0.0002","14.2227","0.0007","10.8476","0.0005","90","","90","","90","","643.02","0.05","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","Thallium(I) copper(I) thorium(IV) triselenide","","- Cu Se3 Th Tl -","- Cu Se3 Th Tl -","- Cu4 Se12 Th4 Tl4 -","4","0.25","WM2644","Koscielski, Lukasz A.; Ibers, James A.","Thallium(I) copper(I) thorium(IV) triselenide, TlCuThSe~3~","Acta Crystallographica Section E","2012","68","7","i52","i53","10.1107/S1600536812026669","","","0.71073","MoKα","","0.0229","0.0206","","","0.0455","0.046","","","","","","1.592","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235672","9.2436","0.0005","14.0911","0.0008","20.1932","0.0011","90","","92.232","0.001","90","","2628.2","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(μ~2~-2,2'-Bipyrimidine)diiodidobis(triphenylphosphane)dicopper(I) dimethylformamide] disolvate","","- C50 H50 Cu2 I2 N6 O2 P2 -","- C50 H50 Cu2 I2 N6 O2 P2 -","- C100 H100 Cu4 I4 N12 O4 P4 -","2","0.5","WM2646","Fettouhi, Mohammed","μ-2,2'-Bipyrimidine-κ^4^N^1^,N^1'^:N^3^,N^3'^-bis[iodido(triphenylphosphane-κP)copper(I)] dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","7","m1003","","10.1107/S1600536812028139","","","0.71073","MoKα","","0.0694","0.0437","","","0.1011","0.1144","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235673","6.7017","0.0003","9.1858","0.0004","11.701","0.0006","69.118","0.004","88.958","0.004","69.696","0.004","626.6","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetraaquatris(nitrato-κ^2^O,O')praseodymium(III) dihydrate","","- H12 N3 O15 Pr -","- H12 N3 O15 Pr -","- H24 N6 O30 Pr2 -","2","1","WM2647","Decadt, Roel; Van Der Voort, Pascal; Van Driessche, Isabel; Van Deun, Rik; Van Hecke, Kristof","Redetermination of [Pr(NO~3~)~3~(H~2~O)~4~]·2H~2~O","Acta Crystallographica Section E","2012","68","7","i59","i60","10.1107/S1600536812028024","","","0.71073","MoKα","","0.0185","0.0171","","","0.0366","0.0371","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235674","11.2138","0.0009","12.0996","0.0011","12.7033","0.0011","62.206","0.009","88.827","0.01","88.682","0.01","1524.3","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(pyridazine-κN)bis(selenocyanato-κN)cobalt(II) pyridazine disolvate","","- C26 H24 Co N14 Se2 -","- C26 H24 Co N14 Se2 -","- C52 H48 Co2 N28 Se4 -","2","1","WM2650","Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian","Tetrakis(pyridazine-κN)bis(selenocyanato-κN)cobalt(II) pyridazine disolvate","Acta Crystallographica Section E","2012","68","7","m965","","10.1107/S1600536812027742","","","0.71073","MoKα","","0.0688","0.0382","","","0.0885","0.1003","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235675","36.2497","0.0007","9.994","0.0002","8.9392","0.0002","90","","90","","90","","3238.49","0.12","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato- κ^2^N^3^,S]cadmium","","- C34 H30 Cd N4 S4 -","- C34 H30 Cd N4 S4 -","- C136 H120 Cd4 N16 S16 -","4","0.5","WM2651","Reza, M. S.; Islam, M. A. A. A. A.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl 3-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^N^3^,S]cadmium","Acta Crystallographica Section E","2012","68","7","m976","m977","10.1107/S1600536812028127","","","1.54187","CuKα","","0.0474","0.0417","","","0.1117","0.1149","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235676","8.2438","0.0009","11.2405","0.0012","14.2502","0.0015","85.178","0.002","78.702","0.002","80.032","0.002","1273.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-{N-[2-(2,4-dichlorophenoxy)acetyl]- 4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate","","- C24 H23 Cl2 N3 O7 -","- C24 H23 Cl2 N3 O7 -","- C48 H46 Cl4 N6 O14 -","2","1","WN2477","Ning, Lihong; Peng, Hao; He, Hongwu","Methyl 2-{N-[2-(2,4-dichlorophenoxy)acetyl]-4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate","Acta Crystallographica Section E","2012","68","7","o2046","","10.1107/S1600536812025494","","","0.71073","MoKα","","0.0742","0.0559","","","0.1633","0.174","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235677","11.2009","0.001","11.6067","0.001","15.523","0.0014","90","","97.162","0.002","90","","2002.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[(1H-imidazol-1-yl)methyl]-2,2'- (disulfanediyl)dianiline","","- C20 H20 N6 S2 -","- C20 H20 N6 S2 -","- C80 H80 N24 S8 -","4","1","WN2478","Lee, Hon Man; Hsieh, Chang-Chih; Horng, Yih-Chern","N,N'-Bis[(1H-imidazol-1-yl)methyl]-2,2'-(disulfanediyl)dianiline","Acta Crystallographica Section E","2012","68","7","o2051","","10.1107/S1600536812025330","","","0.71073","MoKα","","0.0496","0.0334","","","0.1124","0.1281","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235678","10.0176","0.0004","11.7075","0.0005","14.3449","0.0005","90","","92.528","0.003","90","","1680.75","0.11","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","8-O-Ethylyunaconitine","(1α,3α,6α,8β,13β,14α,16β)-20-ethyl-8-ethoxy-3,13-dihydroxy-1,6,16- trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate","","- C35 H51 N O10 -","- C35 H51 N O10 -","- C70 H102 N2 O20 -","2","1","XU5540","Wu, San-Lin; Liu, Fang","8-O-Ethylyunaconitine from the roots of Aconitum carmichaeli Debx.","Acta Crystallographica Section E","2012","68","7","o2238","","10.1107/S1600536812026463","","","0.7107","MoKα","","0.0725","0.0527","","","0.1116","0.1313","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235679","15.0297","0.0009","6.1496","0.0003","14.309","0.0009","90","","104.142","0.006","90","","1282.45","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(E)-(4-Fluorobenzylimino)methyl]-4-methylphenol","","- C15 H14 F N O -","- C15 H14 F N O -","- C60 H56 F4 N4 O4 -","4","1","XU5548","Jin, Yue-Bao; Zhang, Ying; Chang, Yong-Kang; Lei, Ke-Wei","2-[(E)-(4-Fluorobenzylimino)methyl]-4-methylphenol","Acta Crystallographica Section E","2012","68","7","o2149","","10.1107/S1600536812027018","","","0.71073","MoKα","","0.0834","0.0596","","","0.1361","0.1504","","","","","","1.095","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2235680","21.077","0.004","11.2","0.002","22.605","0.005","90","","99.424","0.003","90","","5264.2","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)","","- C54 H52 Cl4 Cu Ga P4 -","- C54 H52 Cl4 Cu Ga P4 -","- C216 H208 Cl16 Cu4 Ga4 P16 -","4","1","XU5551","Wang, Nian-Nian; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng","Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)","Acta Crystallographica Section E","2012","68","7","m870","","10.1107/S1600536812024269","","","0.71073","MoKα","","0.1122","0.0553","","","0.1335","0.1586","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235681","8.1527","0.0006","8.4029","0.0006","12.422","0.0008","100.117","0.006","101.155","0.005","94.312","0.006","816.66","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","XU5552","Yu, Zhao-Peng; Zhao, Ming; Feng, Cheng-Tao","Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2021","","10.1107/S1600536812024853","","","0.71073","MoKα","","0.0793","0.0469","","","0.1004","0.1172","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235682","42.077","0.004","5.9274","0.0005","12.0737","0.0011","90","","105.665","0.009","90","","2899.4","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-N-phenyl- 5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide dimethylformamide hemisolvate","","- C32.5 H36.5 N7.6 O0.5 S -","- C32.5 H36.5 N7.5 O0.5 S -","- C130 H146 N30 O2 S4 -","4","1","XU5554","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-N-phenyl-5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2012","68","7","o1985","","10.1107/S1600536812024488","","","1.54184","CuKα","","0.0925","0.0911","","","0.2132","0.2139","","","","","","1.114","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235683","33.675","0.004","33.675","0.004","10.283","0.002","90","","90","","120","","10099","3","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","Oxido[N-(2-oxidobenzylidene-κO)leucinato- κ^2^N,O](1,10-phenanthroline-κ^2^N,N')vanadium(IV)","","- C25 H23 N3 O4 V -","- C25 H23 N3 O4 V -","- C450 H414 N54 O72 V18 -","18","1","XU5555","Wang, Cheng-Yuan; Jing, Bu-Qin; Dong, Jian-Fang; Li, Lian-Zhi","Oxido[N-(2-oxidobenzylidene-κO)leucinato-κ^2^N,O](1,10-phenanthroline-κ^2^N,N')vanadium(IV)","Acta Crystallographica Section E","2012","68","7","m907","","10.1107/S1600536812025391","","","0.71073","MoKα","","0.1541","0.0653","","","0.11","0.1284","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235684","6.3545","0.0001","39.4559","0.0005","11.3878","0.0001","90","","99.879","0.001","90","","2812.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Adamantan-1-yl)(phenylsulfanyl)methanone","","- C17 H20 O S -","- C17 H20 O S -","- C136 H160 O8 S8 -","8","2","XU5558","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Swaidan, Ibrahim A.; Ng, Seik Weng; Tiekink, Edward R. T.","(Adamantan-1-yl)(phenylsulfanyl)methanone","Acta Crystallographica Section E","2012","68","7","o2104","","10.1107/S1600536812026116","","","1.54184","CuKα","","0.0343","0.0325","","","0.0856","0.0869","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235685","15.4721","0.0003","6.7775","0.0001","15.0124","0.0004","90","","109.143","0.003","90","","1487.18","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8- yl]oxy}acetonitrile","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","XU5559","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Al-Omar, Mohamed A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile","Acta Crystallographica Section E","2012","68","7","o2105","o2106","10.1107/S1600536812026165","","","1.54184","CuKα","","0.0465","0.044","","","0.1212","0.1231","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235686","8.6359","0.0016","21.2426","0.0012","8.6416","0.0013","90","","92.789","0.003","90","","1583.4","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[tetraaquanickel(II)]- μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)- κ^2^O^1^:O^8^-[tetraaquanickel(II)]- μ-4,4'-bipyridine-κ^2^N:N']","","- C28 H28 N2 Ni2 O18 -","- C28 H28 N2 Ni2 O18 -","- C56 H56 N4 Ni4 O36 -","2","0.5","XU5560","Liu, Yang-Mei; Cao, Kai; Wang, Feng-Lin","catena-Poly[[tetraaquanickel(II)]-μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-κ^2^O^1^:O^8^-[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N']","Acta Crystallographica Section E","2012","68","7","m960","m961","10.1107/S1600536812027493","","","0.71073","MoKα","","0.065","0.0484","","","0.0987","0.1023","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235687","14.0112","0.0003","16.0445","0.0003","16.4939","0.0003","90","","95.959","0.001","90","","3687.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1-phenyl-3-{(Z)-[phenyl(pyridin-2-yl)methylidene]amino- κ^2^N,N'}urea-κO)nickel(II) dinitrate","","- C38 H32 N10 Ni O8 -","- C38 H32 N10 Ni O8 -","- C152 H128 N40 Ni4 O32 -","4","1","XU5561","Aiswarya, N.; Jacob, Jinsa Mary; Prathapachandra Kurup, M. R.; Ng, Seik Weng","Bis(1-phenyl-3-{(Z)-[phenyl(pyridin-2-yl)methylidene]amino-κ^2^N,N'}urea-κO)nickel(II) dinitrate","Acta Crystallographica Section E","2012","68","7","m918","","10.1107/S1600536812026207","","","0.71073","MoKα","","0.0843","0.053","","","0.1369","0.1689","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235688","9.8343","0.0013","11.3087","0.0015","13.723","0.002","73.914","0.002","70.671","0.001","83.965","0.002","1383.6","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5- (isonicotinamido)isophthalato]holmium(III)silver(I)] dihydrate]","","- C28 H22 Ag Ho N4 O13 -","- C28 H22 Ag Ho N4 O13 -","- C56 H44 Ag2 Ho2 N8 O26 -","2","1","XU5562","Nie, Xue; Qu, Jing-Nian","Poly[[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5-(isonicotinamido)isophthalato]holmium(III)silver(I)] dihydrate]","Acta Crystallographica Section E","2012","68","7","m1004","m1005","10.1107/S1600536812028620","","","0.71073","MoKα","","0.0533","0.0397","","","0.0979","0.1036","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235689","17.784","0.003","6.2264","0.0004","13.6226","0.0018","90","","102.7","0.004","90","","1471.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorophenyl)-5-(4,5-dihydro-1H-imidazol- 2-yl)thieno[2,3-b]pyridin-4-amine","","- C16 H13 Cl N4 S -","- C16 H13 Cl N4 S -","- C64 H52 Cl4 N16 S4 -","4","1","XU5563","Bernardino, Alice M. R.; Pinheiro, Luiz C. S.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","N-(4-Chlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)thieno[2,3-b]pyridin-4-amine","Acta Crystallographica Section E","2012","68","7","o2135","o2136","10.1107/S160053681202658X","","","0.71073","MoKα","","0.201","0.0792","","","0.1669","0.2173","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235690","7.7633","0.0002","9.8173","0.0003","9.8222","0.0003","78.26","0.003","71.489","0.002","86.584","0.003","695.01","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide- κN^1^)nickel(II)","","- C28 H26 N4 Ni O10 -","- C28 H26 N4 Ni O10 -","- C28 H26 N4 Ni O10 -","1","0.5","XU5564","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide-κN^1^)nickel(II)","Acta Crystallographica Section E","2012","68","7","m946","m947","10.1107/S1600536812026943","","","0.71073","MoKα","","0.0237","0.0234","","","0.0624","0.0626","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235691","17.085","0.004","5.6807","0.0011","15.689","0.003","90","","113.152","0.004","90","","1400.1","0.5","150","","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","XU5565","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; Allah, Omyma A. A. Abd","5-(4-Methylphenyl)-3-phenylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","7","o2157","","10.1107/S1600536812027031","","","0.71073","MoKα","","0.0994","0.0526","","","0.0992","0.1138","","","","","","0.896","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235692","9.564","0.003","10.722","0.003","20.805","0.006","87.294","0.005","83.226","0.005","74.991","0.005","2046","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dicyclohexylammonium 3,5-dinitrobenzoate","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","2","XU5566","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Wong, Wing-Tak","Dicyclohexylammonium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2012","68","7","o2168","","10.1107/S1600536812027389","","","0.71073","MoKα","","0.1467","0.0543","","","0.1222","0.1586","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235693","7.4603","0.0012","11.2881","0.0018","11.5861","0.0019","99.229","0.003","99.802","0.003","93.487","0.003","945.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Methylbutoxy)-5-nitrobenzamido]acetic acid dimethyl sulfoxide monosolvate","","- C16 H24 N2 O7 S -","- C16 H24 N2 O7 S -","- C32 H48 N4 O14 S2 -","2","1","XU5567","Yang, Yun-Xia; Ng, Seik Weng","2-[2-(3-Methylbutoxy)-5-nitrobenzamido]acetic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","7","o2170","","10.1107/S1600536812027316","","","0.71073","MoKα","","0.0822","0.0571","","","0.1285","0.1435","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235694","6.2509","0.0005","9.1327","0.0008","18.6566","0.0016","90","","92.134","0.002","90","","1064.32","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-tert-Butyl-1-(4-nitroamino-1,2,5-oxadiazol-3-yl)diazene 1-oxide","","- C6 H10 N6 O4 -","- C6 H10 N6 O4 -","- C24 H40 N24 O16 -","4","1","XU5568","Li, Xiang-Zhi; Wang, Bo-Zhou; Fan, Xue-Zhong; Ng, Seik Weng","2-tert-Butyl-1-(4-nitroamino-1,2,5-oxadiazol-3-yl)diazene 1-oxide","Acta Crystallographica Section E","2012","68","7","o2171","","10.1107/S1600536812027353","","","0.71073","MoKα","","0.0678","0.0503","","","0.1495","0.1662","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235695","12.6323","0.0005","19.8608","0.0007","5.1267","0.0002","90","","90","","90","","1286.23","0.08","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","","- C11 H12 Cl I N4 -","- C11 H12 Cl I N4 -","- C44 H48 Cl4 I4 N16 -","4","1","XU5569","Zaghary, Wafaa A.; Geffken, Detlef; Ng, Seik Weng","6-Amino-4-(3-iodoanilino)-2-methylpyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","7","o2235","","10.1107/S1600536812028401","","","0.71073","MoKα","","0.035","0.0318","","","0.0752","0.0777","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235696","8.394","0.0006","15.2928","0.0015","14.8606","0.0009","90","","103.377","0.005","90","","1855.9","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromido(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethyl sulfoxide-κO)cadmium","","- C14 H18 Br2 Cd N2 O S -","- C14 H18 Br2 Cd N2 O S -","- C56 H72 Br8 Cd4 N8 O4 S4 -","4","1","XU5571","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethyl sulfoxide-κO)cadmium","Acta Crystallographica Section E","2012","68","7","m1006","m1007","10.1107/S1600536812028553","","","0.71073","MoKα","","0.0648","0.041","","","0.0798","0.086","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235697","7.6443","0.0003","9.6909","0.0005","9.9852","0.0005","67.003","0.005","80.869","0.004","76.108","0.004","659.26","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","8-Methyl-2-oxo-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","XU5572","Asiri, Abdullah M.; Faidallah, Hassan M.; Saqer, Alaa Anwar Ahmad; Ng, Seik Weng; Tiekink, Edward R. T.","8-Methyl-2-oxo-4-(thiophen-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2291","o2292","10.1107/S160053681202836X","","","0.71073","MoKα","","0.1089","0.0881","","","0.213","0.23","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235698","15.7556","0.0009","9.1789","0.0004","16.7515","0.001","90","","111.718","0.007","90","","2250.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol- 2-yl)benzenesulfonamide ethanol monosolvate","","- C25 H27 N3 O3 S -","- C25 H27 N3 O3 S -","- C100 H108 N12 O12 S4 -","4","1","XU5573","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)benzenesulfonamide ethanol monosolvate","Acta Crystallographica Section E","2012","68","7","o2258","o2259","10.1107/S1600536812028474","","","0.71073","MoKα","","0.0745","0.0544","","","0.141","0.1564","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235699","8.0763","0.0016","8.2183","0.0016","10.116","0.002","76.22","0.03","69.36","0.03","85.94","0.03","610.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-[4-(Azidomethyl)phenyl]benzonitrile","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","XU5575","Peng, Bo","2-[4-(Azidomethyl)phenyl]benzonitrile","Acta Crystallographica Section E","2012","68","7","o2297","","10.1107/S1600536812029261","","","0.71073","MoKα","","0.1096","0.0582","","","0.1252","0.1459","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235700","7.3523","0.0004","9.6349","0.0005","13.9495","0.0007","98.37","0.001","91.778","0.001","106.291","0.001","935.7","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","XU5576","Kurbanova, Malahat M.; Huseynov, Elnur Z.; Gurbanov, Atash V.; Maharramov, Abel M.; Ng, Seik Weng","Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","7","o2233","","10.1107/S1600536812028371","","","0.71073","MoKα","","0.058","0.0463","","","0.1254","0.1346","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235701","13.565","0.0005","6.7845","0.0003","31.2031","0.0011","90","","95.665","0.003","90","","2857.65","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(nitrato-κ^2^O,O')bis(pyrazine-2- carboxamide-κN^4^)cadmium‒pyrazine-2-carboxamide (1/2)","","- C20 H24 Cd N14 O12 -","- C20 H24 Cd N14 O12 -","- C80 H96 Cd4 N56 O48 -","4","0.5","XU5577","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Diaquabis(nitrato-κ^2^O,O')bis(pyrazine-2-carboxamide-κN^4^)cadmium‒pyrazine-2-carboxamide (1/2)","Acta Crystallographica Section E","2012","68","7","m1008","m1009","10.1107/S1600536812028577","","","0.71073","MoKα","","0.0592","0.0394","","","0.0647","0.0687","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235702","18.179","0.003","12.4052","0.0016","4.4529","0.0005","90","","90","","90","","1004.2","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","XU5578","Zaghary, Wafaa A.; Al-Wabli, Reem I.; Ng, Seik Weng","3-Ethoxymethyl-1,4-dihydroquinolin-4-one","Acta Crystallographica Section E","2012","68","7","o2234","","10.1107/S1600536812028383","","","0.71073","MoKα","","0.0947","0.0553","","","0.0968","0.1161","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235703","7.8175","0.0002","9.6539","0.0003","9.8361","0.0003","77.053","0.003","74.041","0.002","87.295","0.003","695.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide- κN^1^)copper(II)","","- C28 H26 Cu N4 O10 -","- C28 H26 Cu N4 O10 -","- C28 H26 Cu N4 O10 -","1","0.5","XU5579","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide-κN^1^)copper(II)","Acta Crystallographica Section E","2012","68","7","m1010","m1011","10.1107/S1600536812028814","","","0.71073","MoKα","","0.0269","0.0252","","","0.0649","0.0657","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235704","7.451","0.0015","8.915","0.0018","11.249","0.002","90","","93.45","0.03","90","","745.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-1-benzofuran-2(3H)-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","YK2051","Han, Xin-Yi; Shi, Ya-Bin; Shen, Hong; Bai, Shu-Yuan; Wang, Hai-Bo","5-Nitro-1-benzofuran-2(3H)-one","Acta Crystallographica Section E","2012","68","7","o2029","","10.1107/S1600536812025093","","","0.71073","MoKα","","0.0598","0.0459","","","0.1304","0.1463","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235705","10.312","0.002","14.997","0.003","15.666","0.003","90","","90","","90","","2422.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a- octahydropyrrolo[1,2-a]pyrimidin-6-one","","- C10 H14 Cl2 N2 O2 -","- C10 H14 Cl2 N2 O2 -","- C80 H112 Cl16 N16 O16 -","8","1","YK2055","Gao, Shuang; Zhao, Li-xia; Ye, Fei; Fu, Ying; Xing, Zhi-yong","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrimidin-6-one","Acta Crystallographica Section E","2012","68","7","o1982","","10.1107/S1600536812024063","","","0.71073","MoKα","","0.0572","0.0522","","","0.1505","0.1558","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235706","6.1024","0.0003","25.303","0.0011","10.684","0.0005","90","","90.231","0.001","90","","1649.69","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C20 H19 F O2 S -","- C20 H19 F O2 S -","- C80 H76 F4 O8 S4 -","4","1","YK2058","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","7","o2028","","10.1107/S1600536812025482","","","0.71073","MoKα","","0.0658","0.0595","","","0.1578","0.1651","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235707","8.3998","0.0017","23.145","0.005","7.7967","0.0016","90","","117.28","0.03","90","","1347.2","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Chloromethyl)phenoxy]-4,6-dimethoxypyrimidine","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","YK2059","Shen, Shi-Hong; Hu, Kui; Sun, Li; Fan, Xiao-Long; Dai, Hong","2-[4-(Chloromethyl)phenoxy]-4,6-dimethoxypyrimidine","Acta Crystallographica Section E","2012","68","7","o2109","","10.1107/S1600536812026220","","","0.71073","MoKα","","0.0655","0.0535","","","0.1262","0.1344","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235708","12.2138","0.0004","12.2138","0.0004","9.909","0.0008","90","","90","","120","","1280.15","0.12","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","- C12 H78 Cl Co5 N18 O36 -","1","0.166667","YK2060","Tian, Ruijng; Yan, Yan; Zhang, Cailing; Wang, Liyan; Pan, Qinhe","Tris[hexaamminecobalt(III)] bis[trioxalatocobaltate(II)] chloride dodecahydrate","Acta Crystallographica Section E","2012","68","7","m914","m915","10.1107/S1600536812026414","","","0.71073","MoKα","","0.0491","0.0362","","","0.0993","0.1078","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235709","15.139","0.005","11.428","0.005","16.76","0.005","90","","90","","90","","2899.6","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","L3","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","","- C36 H32 N6 O2 -","- C36 H32 N6 O2 -","- C144 H128 N24 O8 -","4","0.5","YK2063","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","Acta Crystallographica Section E","2012","68","7","o2272","o2273","10.1107/S1600536812029017","","","0.71073","MoKα","","0.0572","0.038","","","0.0951","0.0995","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235710","10.041","0.005","13.662","0.004","20.928","0.005","90","","93.916","0.005","90","","2864.2","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis[N,N-bis(diphenylphosphanyl)cyclopentanamine- κ^2^P,P']platinum(II) bis(trifluoromethanesulfonate)","","- C60 H58 F6 N2 O6 P4 Pt S2 -","- C60 H58 F6 N2 O6 P4 Pt S2 -","- C120 H116 F12 N4 O12 P8 Pt2 S4 -","2","0.5","ZB2023","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","Bis[N,N-bis(diphenylphosphanyl)cyclopentanamine-κ^2^P,P']platinum(II) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2012","68","7","m916","m917","10.1107/S1600536812026359","","","0.71073","MoKα","","0.0695","0.0395","","","","0.0929","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235711","8.351","0.004","12.461","0.006","11.912","0.006","90","","100.315","0.009","90","","1219.6","1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Fluorophenyl)-3-(4-nitrophenyl)urea","","- C13 H10 F N3 O3 -","- C13 H10 F N3 O3 -","- C52 H40 F4 N12 O12 -","4","1","ZJ2072","Lin, Mu-Sen; Shi, Yu; Zhang, Shi-Yu; Li, Yi-Liang","1-(3-Fluorophenyl)-3-(4-nitrophenyl)urea","Acta Crystallographica Section E","2012","68","7","o2030","","10.1107/S160053681202507X","","","0.71073","MoKα","","0.0621","0.0516","","","0.124","0.1309","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235712","8.5855","0.0006","15.6618","0.001","9.3156","0.0006","90","","90","","90","","1252.62","0.14","100","2","100","2","","","","","","","","2","C c m b","-C 2ac 2ac","64","","Pentacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^]octadeca-1(2),8(9)-diene","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","","ZJ2078","Ioannou, Savvas; Moushi, Eleni","Pentacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^]octadeca-1(2),8(9)-diene","Acta Crystallographica Section E","2012","68","7","o2150","","10.1107/S1600536812026785","","","0.71073","MoKα","","0.0533","0.0425","","","0.1133","0.1169","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2235713","6.226","0.00001","8.3968","0.0002","33.5357","0.0007","90","","90","","90","","1753.2","0.06","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","3,9'-Bi(9H-fluorene)","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","ZJ2080","Liu, Jie; Yu, Wentao","3,9'-Bi(9H-fluorene)","Acta Crystallographica Section E","2012","68","7","o2081","","10.1107/S1600536812024841","","","0.71073","MoKα","","0.0439","0.0349","","","0.0852","0.091","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235714","10.1701","0.0005","16.5521","0.0005","11.169","0.0005","90","","114.69","0.005","90","","1708.27","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethanone","","- C19 H20 F2 N2 O -","- C19 H20 F2 N2 O -","- C76 H80 F8 N8 O4 -","4","1","ZJ2086","Dayananda, A. S.; Yathirajan, H. S.; Keeley, Amanda C.; Jasinski, Jerry P.","1-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethanone","Acta Crystallographica Section E","2012","68","7","o2237","","10.1107/S1600536812028097","","","1.54178","CuKα","","0.0612","0.0535","","","0.1467","0.1546","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235715","9.9178","0.0002","8.2235","0.0002","28.4388","0.0008","90","","96.115","0.002","90","","2306.24","0.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Benzylsulfanyl-4-[(4-methylphenyl)sulfanyl]-6-pentylpyrimidine-5-carbonitrile","","- C24 H25 N3 S2 -","- C24 H25 N3 S2 -","- C96 H100 N12 S8 -","4","1","ZL2483","El-Emam, Ali A.; Al-Deeb, Omar A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Benzylsulfanyl-4-[(4-methylphenyl)sulfanyl]-6-pentylpyrimidine-5-carbonitrile","Acta Crystallographica Section E","2012","68","7","o2054","","10.1107/S1600536812025275","","","1.54184","CuKα","","0.0551","0.0441","","","0.1237","0.1376","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235716","24.932","0.002","8.4963","0.0003","18.1748","0.0013","90","","133.148","0.007","90","","2808.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(cyanato-κN)tetrakis(2,6-dimethylpyrazine-κN^4^)nickel(II)","","- C26 H32 N10 Ni O2 -","- C26 H32 N10 Ni O2 -","- C104 H128 N40 Ni4 O8 -","4","0.5","ZL2488","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(cyanato-κN)tetrakis(2,6-dimethylpyrazine-κN^4^)nickel(II)","Acta Crystallographica Section E","2012","68","7","m970","","10.1107/S1600536812027985","","","0.71073","MoKα","","0.0618","0.0386","","","0.093","0.1019","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235717","11.069","0.002","7.3093","0.0015","13.718","0.005","90","","125.737","0.019","90","","900.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloroanilinium perchlorate","","- C6 H7 Cl2 N O4 -","- C6 H7 Cl2 N O4 -","- C24 H28 Cl8 N4 O16 -","4","1","ZQ2165","Zhou, Benhua; Cai, Jin","2-Chloroanilinium perchlorate","Acta Crystallographica Section E","2012","68","7","o2113","","10.1107/S1600536812023963","","","0.71073","MoKα","","0.055","0.0457","","","0.0876","0.0893","","","","","","2.256","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235718","11.061","0.0005","7.584","0.0004","22.642","0.0011","90","","90","","90","","1899.36","0.16","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","1","ZQ2167","Li, Zhao-Bo; Shen, Li-Li; Zheng, Jian-An","1-Methyl-4-[(1E)-2-nitroprop-1-en-1-yl]benzene","Acta Crystallographica Section E","2012","68","7","o2065","","10.1107/S1600536812025913","","","0.71073","MoKα","","0.0722","0.0445","","","0.1141","0.1344","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235719","12.6608","0.0015","6.1508","0.0007","19.223","0.002","90","","95.142","0.002","90","","1490.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(3-methylphenyl)piperazine-2,5-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","ZQ2169","Liu, Yongjun; Sun, Xuefeng; Wen, Yonghong","1,4-Bis(3-methylphenyl)piperazine-2,5-dione","Acta Crystallographica Section E","2012","68","7","o2115","","10.1107/S1600536812026372","","","0.71073","MoKα","","0.072","0.0517","","","0.124","0.1368","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235720","7.686","0.0016","15.841","0.003","9.0624","0.0014","90","","117.813","0.013","90","","975.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Sulfonyldipyrazine 4-oxide","","- C8 H6 N4 O3 S -","- C8 H6 N4 O3 S -","- C32 H24 N16 O12 S4 -","4","1","ZQ2171","Li, Ai-Min; Zhang, Ya; Wang, Zhi-Wei; Wan, Chong-Qing","2,2'-Sulfonyldipyrazine 4-oxide","Acta Crystallographica Section E","2012","68","7","o2285","","10.1107/S1600536812028607","","","0.71073","MoKα","","0.0919","0.0632","","","0.182","0.2033","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235721","16.1967","0.001","15.2274","0.001","10.4686","0.0006","90","","113.199","0.001","90","","2373.1","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyrimidine-κ^2^N^1^,N^1'^)diiodidopalladium(II)","","- C8 H6 I2 N4 Pd -","- C8 H6 I2 N4 Pd -","- C64 H48 I16 N32 Pd8 -","8","1","ZQ2173","Ha, Kwang","(2,2'-Bipyrimidine-κ^2^N^1^,N^1'^)diiodidopalladium(II)","Acta Crystallographica Section E","2012","68","7","m974","","10.1107/S1600536812028292","","","0.71073","MoKα","","0.0298","0.0208","","","0.0453","0.0526","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235722","19.079","0.0008","9.9445","0.0004","17.5663","0.0008","90","","102.386","0.001","90","","3255.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene","","- C38 H36 Fe O4 P2 -","- C38 H36 Fe O4 P2 -","- C152 H144 Fe4 O16 P8 -","4","0.5","ZS2202","Ren, Xinfeng; Wang, Le; Li, Ya","1,1'-Bis[bis(4-methoxyphenyl)phosphanyl]ferrocene","Acta Crystallographica Section E","2012","68","7","m922","","10.1107/S1600536812026293","","","0.71073","MoKα","","0.0273","0.0259","","","0.0679","0.0695","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235723","8.1943","0.001","11.0948","0.0017","11.8333","0.0018","90","","94.383","0.014","90","","1072.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine","","- C8 H10 Cl2 N4 O -","- C8 H10 Cl2 N4 O -","- C32 H40 Cl8 N16 O4 -","4","1","ZS2206","Zou, Ye-cheng; Hu, Zhi-yong; Cao, Duan-lin","3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine","Acta Crystallographica Section E","2012","68","7","o2142","","10.1107/S1600536812026578","","","0.71073","MoKα","","0.0592","0.0381","","","0.0781","0.0884","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235724","8.7711","0.0007","15.7261","0.0013","6.8539","0.0005","90","","117.455","0.002","90","","838.92","0.12","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Amino-5-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","ZS2211","Yan, Xingchen; Fan, Yuhua; Bi, Caifeng; Zuo, Jian; Zhang, Zhongyu","2-Amino-5-methylpyridinium nitrate","Acta Crystallographica Section E","2012","68","7","o2084","","10.1107/S1600536812025196","","","0.71073","MoKα","","0.0479","0.039","","","0.0984","0.1087","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235725","7.6683","0.0003","17.8013","0.0007","9.7574","0.0004","90","","106.506","0.004","90","","1277.05","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzonitrile","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C64 H44 N12 O4 -","4","1","ZS2212","Li, Ling; Tong, Rong-sheng; Li, Jin-qi; Shi, Jian-you","3-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzonitrile","Acta Crystallographica Section E","2012","68","7","o2230","","10.1107/S1600536812027444","","","0.7107","MoKα","","0.079","0.0475","","","0.0988","0.1189","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235726","36.3639","0.0006","10.11949","0.0001","8.77097","0.0001","90","","90","","90","","3227.58","0.07","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis[benzyl N'-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^ N',S]mercury(II)","","- C34 H30 Hg N4 S4 -","- C34 H30 Hg N4 S4 -","- C136 H120 Hg4 N16 S16 -","4","0.5","ZS2213","Islam, M. A. A. A. A.; Reza, M. S.; Tarafder, M. T. H.; Sheikh, M. C.; Zangrando, E.","Bis[benzyl N'-(3-phenylprop-2-enylidene)dithiocarbazato-κ^2^N',S]mercury(II)","Acta Crystallographica Section E","2012","68","7","m924","m925","10.1107/S1600536812025901","","","1.54187","CuKα","","","0.0379","","","","0.0972","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235727","6.0428","0.0002","17.2269","0.0007","11.301","0.0004","90","","94.663","0.004","90","","1172.53","0.07","150","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","ZS2215","Simões, M. C. R.; Landre, I. M. R.; Moreira, M. S.; Viegas, Jr, C.; Doriguetto, A. C.","4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol","Acta Crystallographica Section E","2012","68","7","o2275","o2276","10.1107/S1600536812028838","","","0.71073","MoKα","","0.0388","0.0334","","","","0.0843","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235728","14.0185","0.0015","13.1232","0.0014","15.0141","0.0016","90","","96.853","0.002","90","","2742.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl (E)-3-hydroxy-2-{N-[2- (thiophen-2-yl)ethenyl]carbamoyl}but-2-enoate","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C104 H120 N8 O32 S8 -","8","2","ZS2216","Liu, Bao-Shuo; Zhao, Sheng-Yin","Ethyl (E)-3-hydroxy-2-{N-[2-(thiophen-2-yl)ethenyl]carbamoyl}but-2-enoate","Acta Crystallographica Section E","2012","68","7","o2284","","10.1107/S1600536812028176","","","0.71073","MoKα","","0.0802","0.0569","","","0.1582","0.1793","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235729","15.06","0.002","6.6997","0.0011","16.649","0.003","90","","90","","90","","1679.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-1,3-benzothiazol-2-amine","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C64 H64 N16 O8 S8 -","8","1","ZS2217","Saeed, Aamer; Rafique, Hummera; Flörke, Ulrich","6-Methoxy-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","7","o2240","","10.1107/S1600536812028152","","","0.71073","MoKα","","0.0387","0.0333","","","0.0901","0.0939","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235730","18.426","0.004","6.9082","0.0014","18.583","0.004","90","","111.98","0.03","90","","2193.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine- 2,4,6-tricarboxylato)diterbium(III)] monohydrate]","","- C16 H16 N2 O18 Tb2 -","- C16 H16 N2 O18 Tb2 -","- C64 H64 N8 O72 Tb8 -","4","1","BG2463","Yu, Xiao-Ke; Zhu, Hong-Lin","Poly[[pentaaqua(μ~4~-pyridine-2,4,6-tricarboxylato)(μ~3~-pyridine-2,4,6-tricarboxylato)diterbium(III)] monohydrate]","Acta Crystallographica Section E","2012","68","8","m1133","m1134","10.1107/S1600536812032898","","","0.71073","MoKα","","0.0238","0.02","","","0.0443","0.0447","","","","","","1.197","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235731","7.7175","0.0011","8.7399","0.0012","23.973","0.003","92.986","0.002","98.485","0.003","92.611","0.003","1594.8","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","1,3-Phenylene bis{3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate}","","- C34 H18 Cl2 F6 O6 -","- C34 H18 Cl2 F6 O6 -","- C68 H36 Cl4 F12 O12 -","2","1","BG2468","Peng, Hao; He, Hongwu","1,3-Phenylene bis{3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate}","Acta Crystallographica Section E","2012","68","8","o2437","","10.1107/S1600536812030826","","","0.71073","MoKα","","0.1216","0.0791","","","0.2254","0.2565","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235732","16.4082","0.0008","14.729","0.0006","15.447","0.0008","90","","107.268","0.005","90","","3564.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[4-(2-Chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C152 H152 Cl8 O32 -","8","2","BG2469","Prashanth, T.; Ranganatha, V. Lakshmi; Usha, M. K.; Khanum, Shaukath Ara; Revannasiddaiah, D.; Anthal, Sumati; Kant, Rajni; Gupta, Vivek K.","Ethyl 2-[4-(2-chlorobenzoyl)-2,6-dimethylphenoxy]ethanoate","Acta Crystallographica Section E","2012","68","8","o2435","","10.1107/S1600536812030693","","","0.71073","MoKα","","0.1345","0.0642","","","0.1499","0.1914","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235733","7.0282","0.0003","14.9715","0.0007","6.8472","0.0003","90","","108.907","0.001","90","","681.61","0.05","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","BG2472","Metlay, Jessica B.; Tanski, Joseph M.","3-Bromo-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2012","68","8","o2484","","10.1107/S1600536812031510","","","0.71073","MoKα","","0.0251","0.0193","","","0.0453","0.0475","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235734","9.543","0.002","11.121","0.002","11.381","0.002","70.03","0.03","71.27","0.03","88.03","0.03","1071.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[(acetato-κ^2^O,O'')[2-(4-oxo-1,4- dihydroquinolin-1-yl)acetato-κO^1^]copper(II)]-μ-4,4'-bipyridine- κ^2^N:N']","","- C23 H21 Cu N3 O6 -","- C23 H21 Cu N3 O6 -","- C46 H42 Cu2 N6 O12 -","2","1","BG2474","Wang, Jun; Dai, Chuntao; Nie, Jianhua","catena-Poly[[(acetato-κ^2^O,O')[2-(4-oxo-1,4-dihydroquinolin-1-yl)acetato-κO^1^]copper(II)]-μ-4,4'-bipyridine-κ^2^N:N']","Acta Crystallographica Section E","2012","68","8","m1132","","10.1107/S160053681203303X","","","0.71073","MoKα","","0.044","0.0346","","","0.0812","0.0867","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235735","21.637","0.002","5.9532","0.0004","24.749","0.002","90","","109.519","0.01","90","","3004.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 4,6-bis(4-methoxyphenyl)pyrimidine","","- C35 H32 N4 O4 -","- C35 H32 N4 O4 -","- C140 H128 N16 O16 -","4","1","BH2441","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.","2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-methoxyphenyl)pyrimidine","Acta Crystallographica Section E","2012","68","8","o2398","","10.1107/S1600536812030516","","","0.71073","MoKα","","0.0912","0.0517","","","0.1342","0.145","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235736","8.19","0.003","8.293","0.004","11.465","0.005","105.794","0.005","90.8094","0.0016","118.154","0.005","651.3","0.5","100","","100","2","","","","","","","","4","P -1","-P 1","2","N-(4-Methoxybenzyl)phthalimide","2-(4-methoxybenzyl)isoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C32 H26 N2 O6 -","2","1","BH2442","Takahashi, Hiroki","N-(4-Methoxybenzyl)phthalimide: a triclinic polymorph","Acta Crystallographica Section E","2012","68","8","o2457","o2458","10.1107/S1600536812031376","","","0.71075","MoKα","","0.0435","0.0336","","","0.084","0.087","","","","","","0.963","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235737","25.0742","0.0013","10.2759","0.0005","20.7156","0.0009","90","","119.736","0.0013","90","","4634.7","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-[(E)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one)","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C200 H232 N8 O48 -","8","1","BH2444","Cha, Joo Hwan; Cho, Yong Seo; Lee, Jae Kyun; Park, Junghwan; Sato, Hiroyasu","2,2'-[(E)-3-(4-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","8","o2510","","10.1107/S1600536812032242","","","0.71075","MoKα","","","0.0423","","","","0.1349","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235738","8.818","0.002","13.764","0.002","7.918","0.002","90","","90","","90","","961","0.4","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Propane-1,3-diammonium dichromate(VI)","","- C3 H12 Cr2 N2 O7 -","- C3 H12 Cr2 N2 O7 -","- C12 H48 Cr8 N8 O28 -","4","0.5","BH2445","Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","Propane-1,3-diammonium dichromate(VI)","Acta Crystallographica Section E","2012","68","8","m1056","","10.1107/S1600536812031042","","","0.56083","AgKα","","0.0502","0.0324","","","0.0887","0.0956","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235739","10.922","0.0003","11.6071","0.0004","12.0283","0.0004","78.452","0.002","82.775","0.002","79.146","0.002","1461.11","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3,5-Di-tert-butyl-2-ethoxybenzylidene)[2-(3,5-di-tert- butyl-1H-pyrazol-1-yl)ethyl]amine","","- C30 H49 N3 O -","- C30 H49 N3 O -","- C60 H98 N6 O2 -","2","1","BH2447","Spencer, Lara C.; Guzei, Ilia A.; Ainooson, Michael K.; Darkwa, James","(3,5-Di-tert-butyl-2-ethoxybenzylidene)[2-(3,5-di-tert-butyl-1H-pyrazol-1-yl)ethyl]amine","Acta Crystallographica Section E","2012","68","8","o2515","o2516","10.1107/S160053681203231X","","","1.54178","CuKα","","0.0798","0.0456","","","0.1086","0.1234","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235740","4.7376","0.0005","13.27","0.002","11.7265","0.0016","90","","98.459","0.004","90","","729.2","0.17","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-4-Amino-N'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","BQ2366","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","(E)-4-Amino-N'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","8","o2321","o2322","10.1107/S1600536812026633","","","0.71073","MoKα","","0.0446","0.0353","","","0.0796","0.0852","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235741","12.813","0.003","16.453","0.003","8.947","0.0018","90","","97.68","0.03","90","","1869.2","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5-Diphenyl-1H-pyrazol-3-yloxy)-1-(2-sulfanylidene-1,3- thiazolidin-3-yl)ethanone","","- C20 H17 N3 O2 S2 -","- C20 H17 N3 O2 S2 -","- C80 H68 N12 O8 S8 -","4","1","BQ2369","Li, Yi; Liu, Yuan-Yuan; Xiong, Xiao-Hui; Wei, Ping","2-(1,5-Diphenyl-1H-pyrazol-3-yloxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone","Acta Crystallographica Section E","2012","68","8","o2419","","10.1107/S1600536812029959","","","0.71073","MoKα","","0.1083","0.0676","","","0.1311","0.1485","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235742","8.029","0.0015","10.002","0.002","10.538","0.002","83.498","0.004","80.208","0.004","71.441","0.004","789","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Diiodido{2-[(4-methoxyphenyl)iminomethyl]pyridine- κ^2^N,N'}zinc","","- C13 H12 I2 N2 O Zn -","- C13 H12 I2 N2 O Zn -","- C26 H24 I4 N4 O2 Zn2 -","2","1","BR2207","Salehzadeh, Sadegh; Khalaj, Mehdi; Dehghanpour, Saeed","Diiodido{2-[(4-methoxyphenyl)iminomethyl]pyridine-κ^2^N,N'}zinc","Acta Crystallographica Section E","2012","68","8","m1041","","10.1107/S1600536812030486","","","0.71073","MoKα","","0.0284","0.0242","","","0.0589","0.0613","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235743","7.5547","0.0003","11.8792","0.0006","22.1103","0.001","90","","90","","90","","1984.26","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","BT5928","Ravichandran, K.; Sethuvasan, S.; Thirunavukarasu, K.; Ponnuswamy, S.; Ponnuswamy, M. N.","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","Acta Crystallographica Section E","2012","68","8","o2453","","10.1107/S1600536812030966","","","0.71073","MoKα","","0.0791","0.0436","","","0.1052","0.1209","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235744","11.8187","0.0004","12.8241","0.0005","16.1837","0.0006","90","","105.28","0.002","90","","2366.16","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-methoxyphenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","","- C26 H24 N2 O3 Se -","- C26 H24 N2 O3 Se -","- C104 H96 N8 O12 Se4 -","4","1","BT5929","Sugumar, P.; Sankari, S.; Manisankar, P.; Ponnuswamy, M. N.","Ethyl 3-(4-methoxyphenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","Acta Crystallographica Section E","2012","68","8","o2347","","10.1107/S1600536812028322","","","0.71073","MoKα","","0.1023","0.0381","","","0.0883","0.1077","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235745","7.538","0.0003","12.6705","0.0006","7.9255","0.0004","90","","91.776","0.004","90","","756.6","0.06","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C34 H50 N2 O4 -","2","1","BT5939","Romero, Oscar; Ramírez, Johana; Terán, Joel L.; Flores-Alamo, Marcos; Juárez, Jorge R.","(R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","8","o2356","","10.1107/S1600536812025433","","","0.71073","MoKα","","0.0494","0.0441","","","","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235746","9.3409","0.0006","11.7876","0.0007","11.831","0.0006","90","","94.727","0.003","90","","1298.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzyl-1,5-benzothiazepin-4(5H)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","BT5942","Sabari, V.; Selvakumar, R.; Bakthadoss, M.; Aravindhan, S.","(Z)-3-Benzyl-1,5-benzothiazepin-4(5H)-one","Acta Crystallographica Section E","2012","68","8","o2329","","10.1107/S1600536812029054","","","0.71073","MoKα","","0.0444","0.0363","","","0.0938","0.1001","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235747","9.5154","0.0002","5.4338","0.0001","10.7104","0.0002","90","","90","","90","","553.779","0.019","120","","120","","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Dinitrosoimidazolidine","","- C3 H6 N4 O2 -","- C3 H6 N4 O2 -","- C12 H24 N16 O8 -","4","1","BT5956","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","1,3-Dinitrosoimidazolidine","Acta Crystallographica Section E","2012","68","8","o2440","","10.1107/S1600536812030796","","","1.5418","CuKα","","0.0397","0.0394","","","0.1257","0.126","","","","","","2.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235748","16.4102","0.0006","16.4371","0.0006","20.0648","0.0007","90","","90","","90","","5412.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline- 11,3'-pyrrolizin]-2'-yl}(p-tolyl)methanone","","- C35 H29 N3 O -","- C35 H29 N3 O -","- C280 H232 N24 O8 -","8","1","BT5959","Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D.","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3'-pyrrolizin]-2'-yl}(p-tolyl)methanone","Acta Crystallographica Section E","2012","68","8","o2469","","10.1107/S1600536812031480","","","0.71073","MoKα","","0.101","0.0488","","","0.115","0.1438","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235749","5.0312","0.0002","10.9329","0.0006","11.0568","0.0007","105.711","0.005","100.02","0.005","93.037","0.004","573.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,5-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","BT5960","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,5-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2338","","10.1107/S1600536812029601","","","0.71073","MoKα","","0.0416","0.0361","","","0.0966","0.1012","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235750","4.9219","0.0002","16.8705","0.0007","13.4326","0.0006","90","","98.236","0.003","90","","1103.87","0.08","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4-Bis[(prop-2-ynyl)oxy]benzaldehyde","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","BT5961","Esakkiammal, M.; Selvarani, V.; Neelakantan, M. A.; Silambarasan, V.; Velmurugan, D.","2,4-Bis[(prop-2-ynyl)oxy]benzaldehyde","Acta Crystallographica Section E","2012","68","8","o2465","","10.1107/S1600536812031637","","","0.71073","MoKα","","0.0505","0.0393","","","0.1046","0.113","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235751","7.8475","0.0006","9.5987","0.0007","15.141","0.001","90.044","0.006","91.099","0.006","100.208","0.006","1122.24","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Acetyl-1-(2,3-dichlorophenyl)thiourea","","- C9 H8 Cl2 N2 O S -","- C9 H8 Cl2 N2 O S -","- C36 H32 Cl8 N8 O4 S4 -","4","2","BT5964","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,3-dichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2353","","10.1107/S1600536812030176","","","0.71073","MoKα","","0.0502","0.0414","","","0.099","0.1057","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235752","9.797","0.005","8.829","0.005","13.674","0.005","90","","91.907","0.005","90","","1182.1","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[2-(2-hydroxymethyl)pyridine-κ^2^N,O](pivalato- κO)copper(II)","","- C22 H32 Cu N2 O6 -","- C22 H32 Cu N2 O6 -","- C44 H64 Cu2 N4 O12 -","2","0.5","BT5967","Shaikh, M. Mobin; Mishra, Veenu; Ram, Priti; Birla, Anil","Bis[2-(2-hydroxymethyl)pyridine-κ^2^N,O](pivalato-κO)copper(II)","Acta Crystallographica Section E","2012","68","8","m1055","","10.1107/S1600536812030917","","","1.5418","CuKα","","0.0438","0.0401","","","0.1135","0.1189","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235753","11.9415","0.0011","11.432","0.001","10.5901","0.001","90","","97.087","0.002","90","","1434.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl- κN^2^)ethanamine-κN]palladium(II) dichloromethane monosolvate","","- C8 H15 Cl4 N3 Pd -","- C8 H15 Cl4 N3 Pd -","- C32 H60 Cl16 N12 Pd4 -","4","1","BT5968","Obuah, Collins; Darkwa, James; Muller, Alfred","cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN^2^)ethanamine-κN]palladium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1103","","10.1107/S1600536812032308","","","0.71073","MoKα","","0.0343","0.0319","","","","0.085","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235754","9.5154","0.001","16.0667","0.0017","9.1097","0.001","90","","114.916","0.001","90","","1263.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane dihydrate","","- C10 H24 N6 O2 -","- C10 H24 N6 O2 -","- C40 H96 N24 O8 -","4","1","BT5969","How, Fiona N.-F.; Rahima, Z. A.; Tan, Yee Seng; Abdul Halim, S. Nadiah; Ng, Seik Weng","2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane dihydrate","Acta Crystallographica Section E","2012","68","8","o2545","","10.1107/S1600536812030735","","","0.71073","MoKα","","0.0637","0.0429","","","0.1026","0.1159","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235755","5.1542","0.0005","22.237","0.003","12.0706","0.0013","90","","94.422","0.003","90","","1379.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide","","- C14 H12 F N O4 S -","- C14 H12 F N O4 S -","- C56 H48 F4 N4 O16 S4 -","4","1","BT5970","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem","N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2433","","10.1107/S1600536812030863","","","0.71073","MoKα","","0.0567","0.0374","","","0.09","0.1013","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235756","22.539","0.003","16.4065","0.0017","19.852","0.002","90","","111.004","0.005","90","","6853.2","1.4","190","2","190","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","rac-cis,cis-Dicarbonyldichlorido{1-[2- (diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate","","- C34 H31 Cl4 N2 O2 P Ru -","- C34 H31 Cl4 N2 O2 P Ru -","- C272 H248 Cl32 N16 O16 P8 Ru8 -","8","1","BT5975","Domski, Gregory J.; Hohenboken, Sallie A.; Swenson, Dale C.","rac-cis,cis-Dicarbonyldichlorido{1-[2-(diphenylphosphanyl)benzyl]-3-mesitylimidazol-2-ylidene}ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1121","","10.1107/S1600536812032515","","","0.71073","MoKα","","0.0568","0.0378","","","0.086","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235757","5.051","0.0007","9.973","0.001","12.503","0.002","69.15","0.01","89.43","0.01","84.07","0.01","585.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,4-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","BT5977","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(2,4-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2498","","10.1107/S1600536812032382","","","0.71073","MoKα","","0.0429","0.0367","","","0.0924","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235758","5.7871","0.0001","18.3112","0.0005","20.3988","0.0004","90","","91.16","0.002","90","","2161.19","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2-Bis(4-butoxyphenyl)-1,1,1-trichloroethane","","- C22 H27 Cl3 O2 -","- C22 H27 Cl3 O2 -","- C88 H108 Cl12 O8 -","4","1","BT5980","Smith, Graham","2,2-Bis(4-butoxyphenyl)-1,1,1-trichloroethane","Acta Crystallographica Section E","2012","68","8","o2544","","10.1107/S1600536812032680","","","0.71073","MoKα","","0.0625","0.0473","","","0.1035","0.1103","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235759","9.1876","0.0002","19.5284","0.0005","17.9187","0.0005","90","","102.658","0.002","90","","3136.82","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S,4R)-3,4-Isopropylidenedioxy-2- (phenylsulfonylmethyl)pyrrolidin-1-ol","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C112 H152 N8 O40 S8 -","8","4","BT5981","Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(2R,3S,4R)-3,4-Isopropylidenedioxy-2-(phenylsulfonylmethyl)pyrrolidin-1-ol","Acta Crystallographica Section E","2012","68","8","o2560","","10.1107/S1600536812033028","","","1.54178","CuKα","","0.0519","0.0484","","","0.1314","0.1347","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235760","8.9856","0.0007","9.5794","0.0008","15.796","0.001","90","","103.12","0.008","90","","1324.18","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT5982","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2576","","10.1107/S1600536812033272","","","0.71073","MoKα","","0.0512","0.0389","","","0.092","0.1","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235761","8.3295","0.0004","11.0866","0.0007","14.5576","0.0008","90","","92.481","0.005","90","","1343.07","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT5983","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2577","","10.1107/S1600536812033429","","","0.71073","MoKα","","0.0437","0.0354","","","0.0892","0.0961","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235762","11.773","0.0011","11.9269","0.0012","15.4151","0.0017","106.696","0.001","100.382","0.001","110.289","0.002","1847.9","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","Bis[μ-bis(diphenylphosphanyl)methane- κ^2^P:P']bis[(isoquinoline-κN)silver(I)] bis(trifluoromethanesulfonate)‒isoquinoline (1/1)","","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","- C79 H65 Ag2 F6 N3 O6 P4 S2 -","1","0.5","BV2206","Huang, Xu; Li, Jing; Qiu, Qi-Ming; Liu, Min; Jin, Qiong-Hua","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^P:P']bis[(isoquinoline-κN)silver(I)] bis(trifluoromethanesulfonate)‒isoquinoline (1/1)","Acta Crystallographica Section E","2012","68","8","m1022","m1023","10.1107/S1600536812029236","","","0.71073","MoKα","","0.0563","0.0377","","","0.0893","0.103","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235763","10.828","0.0016","6.2455","0.001","12.861","0.002","90","","91.177","0.002","90","","869.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P,P'-Diphenylethylenediphosphinic acid dihydrate","","- C14 H20 O6 P2 -","- C14 H20 O6 P2 -","- C28 H40 O12 P4 -","2","0.5","BV2207","Swor, Charles D.; Nell, Bryan P.; Zakharov, Lev N.; Tyler, David R.","P,P'-Diphenylethylenediphosphinic acid dihydrate","Acta Crystallographica Section E","2012","68","8","o2456","","10.1107/S1600536812030954","","","0.71073","MoKα","","0.0431","0.039","","","0.1045","0.1085","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235764","18.432","0.003","4.7414","0.0006","25.74","0.004","90","","92.284","0.004","90","","2247.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κO)bis(4,5-dimethylbenzene-1,2-diamine-κN)zinc","","- C20 H30 N4 O4 Zn -","- C20 H30 N4 O4 Zn -","- C80 H120 N16 O16 Zn4 -","4","0.5","BV2208","Geiger, David K.","Bis(acetato-κO)bis(4,5-dimethylbenzene-1,2-diamine-κN)zinc","Acta Crystallographica Section E","2012","68","8","m1040","","10.1107/S160053681203036X","","","0.71073","MoKα","","0.038","0.0363","","","0.0931","0.0944","","","","","","1.12","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235765","5.5172","0.0002","16.6134","0.0006","19.6758","0.0006","90","","95.709","0.003","90","","1794.53","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl N-{3-[(3-chloro-1,4-dioxo-1,4- dihydronaphthalen-2-yl)amino]propyl}carbamate","","- C18 H21 Cl N2 O4 -","- C18 H21 Cl N2 O4 -","- C72 H84 Cl4 N8 O16 -","4","1","BX2415","Resende, Jackson A. L. C.; Gomez, Javier A.","tert-Butyl N-{3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]propyl}carbamate","Acta Crystallographica Section E","2012","68","8","o2361","","10.1107/S1600536812029674","","","1.5418","CuKα","","0.0493","0.037","","","","0.0963","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235766","4.6933","0.001","17.501","0.003","19.917","0.004","90","","90","","90","","1635.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","","- C13 H15 N3 O9 -","- C13 H15 N3 O9 -","- C52 H60 N12 O36 -","4","1","BX2416","Li, Xiaofei; Tong, Yan","(R*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","Acta Crystallographica Section E","2012","68","8","o2386","","10.1107/S1600536812029935","","","0.71073","MoKα","","0.063","0.0454","","","0.1402","0.1532","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235767","8.0084","0.0014","8.7315","0.0019","11.7043","0.0008","76.253","0.013","79.794","0.01","84.337","0.017","781","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","(E)-3-Chloro-N-[(2-ethoxynaphthalen-1-yl)methylidene]aniline","","- C19 H16 Cl N O -","- C19 H16 Cl N O -","- C38 H32 Cl2 N2 O2 -","2","1","BX2419","Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Macit, Mustafa; Soylu, Mustafa Serkan","(E)-3-Chloro-N-[(2-ethoxynaphthalen-1-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","8","o2518","","10.1107/S1600536812032114","","","0.71073","MoKα","","0.0787","0.0579","","","0.1532","0.1801","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235768","9.395","0.0019","9.588","0.0019","10.252","0.002","68.9","0.03","67.74","0.03","78.16","0.03","794.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒ 1,2-bis(pyridin-4-yl)ethane‒water (1/1/2)","","- C24 H36 Mn2 N2 O20 -","- C24 H36 Mn2 N2 O20 -","- C24 H36 Mn2 N2 O20 -","1","0.5","BX2421","Hwang, In Hong; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒1,2-bis(pyridin-4-yl)ethane‒water (1/1/2)","Acta Crystallographica Section E","2012","68","8","m1116","m1117","10.1107/S1600536812032771","","","0.71073","MoKα","","0.0351","0.0327","","","0.091","0.0924","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235769","7.7065","0.0006","14.0473","0.001","13.0852","0.001","90","","106.963","0.001","90","","1354.92","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate","","- C13 H13 B N2 O6 -","- C13 H13 B N2 O6 -","- C52 H52 B4 N8 O24 -","4","1","CV5313","Ge, Chunhua; Zhang, Xiangdong; Zhang, Rui; Zhang, Chenglong","3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2559","","10.1107/S1600536812031790","","","0.71073","MoKα","","0.045","0.0371","","","0.0969","0.1023","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235770","8.4062","0.0008","10.3279","0.001","15.2432","0.0019","90","","94.958","0.009","90","","1318.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Allyl-9H-carbazole-3,6-dicarbaldehyde","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","CV5316","Hu, Bin Bin; Zeng, Xiang Chao; Bian, Lei; He, Ru","9-Allyl-9H-carbazole-3,6-dicarbaldehyde","Acta Crystallographica Section E","2012","68","8","o2517","","10.1107/S160053681203190X","","","0.71073","MoKα","","0.0795","0.0453","","","0.0974","0.1178","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235771","10.798","0.003","10.365","0.003","11.341","0.003","90","","110.287","0.004","90","","1190.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7'-Amino-1'H-spiro[cycloheptane-1,2'-pyrimido[4,5-d]pyrimidin]- 4'(3'H)-one","","- C12 H17 N5 O -","- C12 H17 N5 O -","- C48 H68 N20 O4 -","4","1","CV5317","Chen, Shu; Shi, Daxin; Liu, Mingxing; Li, Jiarong","7'-Amino-1'H-spiro[cycloheptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one","Acta Crystallographica Section E","2012","68","8","o2546","","10.1107/S1600536812031492","","","0.71073","MoKα","","0.0585","0.0544","","","0.1263","0.1291","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235772","6.052","0.002","6.959","0.002","25.12","0.008","90","","90","","90","","1058","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium [(1S)-1-azido-2-phenylethyl]trifluoridoborate","","- C8 H8 B F3 K N3 -","- C8 H8 B F3 K N3 -","- C32 H32 B4 F12 K4 N12 -","4","1","CV5318","Lejon, Tore; Gorovoy, Alexey S.; Khrustalev, Victor N.","Potassium [(1S)-1-azido-2-phenylethyl]trifluoridoborate","Acta Crystallographica Section E","2012","68","8","m1048","","10.1107/S1600536812030085","","","0.71073","MoKα","","0.1301","0.0504","","","0.0639","0.0813","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235773","14.079","0.01","8.369","0.006","19.244","0.013","90","","109.104","0.009","90","","2143","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,6-Diisopropylphenoxy)-4-phenylphthalazine","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","CV5322","Tong, Bihai; Mei, Qunying","1-(2,6-Diisopropylphenoxy)-4-phenylphthalazine","Acta Crystallographica Section E","2012","68","8","o2578","","10.1107/S1600536812033296","","","0.71073","MoKα","","0.0907","0.0462","","","0.1273","0.1647","","","","","","0.902","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235774","5.1996","0.0015","7.499","0.002","13.119","0.004","100.206","0.005","98.014","0.005","106.534","0.005","472.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Melaminium hydrogen malonate","2,4,6-Triamino-1,3,5-triazin-1-ium 2-carboxyethanoate","","- C6 H10 N6 O4 -","- C6 H10 N6 O4 -","- C12 H20 N12 O8 -","2","1","CV5323","Froschauer, Barbara; Weil, Matthias","Melaminium hydrogen malonate","Acta Crystallographica Section E","2012","68","8","o2553","o2554","10.1107/S1600536812033016","","","0.71073","MoKα","","0.1023","0.0419","","","0.0895","0.1047","","","","","","0.89","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235775","7.1193","0.0007","8.165","0.0008","9.5595","0.0009","88.013","0.002","84.647","0.002","88.093","0.002","552.68","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Bis(melaminium) succinate succinic acid monosolvate dihydrate","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) succinate succinic acid monosolvate dihydrate","","- C14 H28 N12 O10 -","- C14 H28 N12 O10 -","- C14 H28 N12 O10 -","1","0.5","CV5324","Froschauer, Barbara; Weil, Matthias","Bis(melaminium) succinate succinic acid monosolvate dihydrate","Acta Crystallographica Section E","2012","68","8","o2555","","10.1107/S1600536812033387","","","0.71073","MoKα","","0.1","0.0473","","","0.1163","0.1416","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235776","6.0973","0.0005","12.3079","0.0011","20.1432","0.0016","90","","96.7","0.001","90","","1501.3","0.2","100","1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol- 1-yl]ethanone","","- C17 H14 Br F N2 O -","- C17 H14 Br F N2 O -","- C68 H56 Br4 F4 N8 O4 -","4","1","CV5325","Fun, Hoong-Kun; Loh, Wan-Sin; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","8","o2586","","10.1107/S1600536812033351","","","0.71073","MoKα","","0.0351","0.0257","","","0.0611","0.0643","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235777","8.2339","0.0016","9.1523","0.0018","10.736","0.002","85.6","0.03","81.2","0.03","74.13","0.03","768.5","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C15 H12 Cl F N2 O5 -","- C15 H12 Cl F N2 O5 -","- C30 H24 Cl2 F2 N4 O10 -","2","1","DS2180","Al-Qawasmeh, Raed A.","Ethyl 7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2533","","10.1107/S1600536812011373","","","0.71073","MoKα","","0.099","0.0601","","","0.1523","0.1945","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235778","7.2715","0.0006","14.7757","0.0012","15.7609","0.0012","75.408","0.001","86.943","0.001","79.774","0.001","1612.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","(Z)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1- ylidene]-1H-pyrazol-5(4H)-one","","- C16 H12 Cl N5 O3 -","- C16 H12 Cl N5 O3 -","- C64 H48 Cl4 N20 O12 -","4","2","DS2200","Bustos, Carlos; Escobar-Fuentealba, Andrés; Alvarez-Thon, Luis; Faundez-Gutierrez, Rodrigo; Garland, Maria Teresa","(Z)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","8","o2351","o2352","10.1107/S1600536812029790","","","0.71073","MoKα","","0.0573","0.0387","","","0.0911","0.097","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235779","7.9549","0.0005","22.753","0.0014","8.0966","0.0005","90","","118.787","0.001","90","","1284.36","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide","","- C14 H13 N O S2 -","- C14 H13 N O S2 -","- C56 H52 N4 O4 S8 -","4","1","DS2201","Hsieh, Chang-Chih; Lee, Hon Man; Horng, Yih-Chern","N-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide","Acta Crystallographica Section E","2012","68","8","o2400","","10.1107/S1600536812029765","","","0.71073","MoKα","","0.0508","0.0382","","","0.1019","0.1078","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235780","10.6903","0.0011","14.5396","0.0008","19.2498","0.0012","90","","94.225","0.006","90","","2983.9","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Cinnamato-κ^2^O,O')(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane- κ^4^N,N',N'',N''')nickel(II) perchlorate monohydrate","","- C25 H45 Cl N4 Ni O7 -","- C25 H45 Cl N4 Ni O7 -","- C100 H180 Cl4 N16 Ni4 O28 -","4","1","DS2203","Gao, Qiang; Cao, Yi-Cheng","(Cinnamato-κ^2^O,O')(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N,N',N'',N''')nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2012","68","8","m1100","","10.1107/S1600536812032175","","","1.54184","CuKα","","0.0423","0.0379","","","0.0946","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235781","11.0159","0.0003","12.6619","0.0003","10.2763","0.0002","90","","117.044","0.001","90","","1276.63","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1'S,6'S,8'S,9'R)-9'-Bromo-12'-oxaspiro[1,3- dioxolane-2,4'-tricyclo[6.3.1.0^1,6^]dodecane]","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C52 H76 Br4 O12 -","4","1","DS2204","Mehta, Goverdhan; Khan, Tabrez Babu","(1'S,6'S,8'S,9'R)-9'-Bromo-12'-oxaspiro[1,3-dioxolane-2,4'-tricyclo[6.3.1.0^1,6^]dodecane]","Acta Crystallographica Section E","2012","68","8","o2411","o2412","10.1107/S1600536812029777","","","0.71073","MoKα","","0.0428","0.0296","","","0.0704","0.0762","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235782","6.4648","0.0001","16.4712","0.0003","14.6134","0.0004","90","","92.612","0.001","90","","1554.46","0.06","90","0.5","90","0.5","101.3","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(Adamantan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","DS2206","Nguyen, Thy M.; Fronczek, Frank R.; Watkins, Steven F.","1-(Adamantan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2537","","10.1107/S1600536812032400","","","0.71073","MoKα","","","0.0448","","","","0.1234","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235783","19.9302","0.0004","7.6627","0.0001","14.3253","0.0003","90","","90","","90","","2187.75","0.07","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Bis(tetraethylammonium) oxalate dihydrate","","- C18 H44 N2 O6 -","- C18 H44 N2 O6 -","- C72 H176 N8 O24 -","4","1","FB2256","McNeese, Timothy J.; Pike, Robert D.","Bis(tetraethylammonium) oxalate dihydrate","Acta Crystallographica Section E","2012","68","8","o2382","o2383","10.1107/S160053681203022X","","","1.54178","CuKα","","0.0327","0.0311","","","0.08","0.0811","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235784","34.398","0.014","5.812","0.002","21.619","0.009","90","","114.895","0.005","90","","3920","3","293","2","293","2","1","","","","","","","6","C 1 2/c 1","-C 2yc","15","iodiconazole","(2RS)-2-(2,4-Difluorophenyl)-1-[(4-iodobenzyl)(methyl)amino]- 3-(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C19 H19 F2 I N4 O -","- C19 H19 F2 I N4 O -","- C152 H152 F16 I8 N32 O8 -","8","1","FB2257","Xiong, Hui-Ping; Gao, Shou-Hong; Li, Chun-Tong; Wu, Zhi-Jun","(2RS)-2-(2,4-Difluorophenyl)-1-[(4-iodobenzyl)(methyl)amino]-3-(1H-1,2,4-triazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2012","68","8","o2447","o2448","10.1107/S160053681203139X","","","0.71073","MoKα","","0.045","0.0394","","","0.0995","0.1029","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235785","17.728","0.009","10.213","0.002","14.801","0.007","90","","112.04","0.04","90","","2484","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate","","- H24 Li2 Na2 Ni O30 P6 -","- H24 Li2 Na2 Ni O30 P6 -","- H96 Li8 Na8 Ni4 O120 P24 -","4","0.5","FF2073","Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed","Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li~2~Na~2~NiP~6~O~18~·12H~2~O","Acta Crystallographica Section E","2012","68","8","i62","i63","10.1107/S1600536812029960","","","0.56085","AgKα","","0.0825","0.0442","","","0.091","0.1021","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235786","6.9579","0.0002","10.9709","0.0004","11.4207","0.0004","110.51","0.002","105.886","0.002","91.656","0.002","777.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-b]furan","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C38 H26 Br2 O6 S2 -","2","1","FF2074","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-b]furan","Acta Crystallographica Section E","2012","68","8","o2324","","10.1107/S160053681202939X","","","0.71073","MoKα","","0.0433","0.0323","","","0.079","0.0838","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235787","7.9739","0.0004","16.812","0.0009","12.1103","0.0006","90","","107.52","0.001","90","","1548.16","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","syn-3-(4-Chlorobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","1","FF2075","Kudryavtsev, Konstantin V.; Vatsadze, Sergey Z.; Semashko, Vera S.; Churakov, Andrei V.","syn-3-(4-Chlorobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol","Acta Crystallographica Section E","2012","68","8","o2373","","10.1107/S1600536812030310","","","0.71073","MoKα","","0.0584","0.0422","","","0.099","0.1066","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235788","7.703","0.003","12.766","0.005","14.884","0.006","90","","93.028","0.006","90","","1461.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","10-(1,2,2-Trichlorovinyl)-10H-phenothiazine 5,5-dioxide","","- C14 H8 Cl3 N O2 S -","- C14 H8 Cl3 N O2 S -","- C56 H32 Cl12 N4 O8 S4 -","4","1","FF2076","Tabata, Hideyuki; Okuno, Tsunehisa","10-(1,2,2-Trichlorovinyl)-10H-phenothiazine 5,5-dioxide","Acta Crystallographica Section E","2012","68","8","o2519","","10.1107/S160053681203245X","","","0.71075","MoKα","","","0.04","","","","0.0966","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235789","5.864","0.0002","13.4454","0.0005","8.0118","0.0003","90","","92.258","0.002","90","","631.19","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2R)-1-[(E)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","","- C14 H13 N O S -","- C14 H13 N O S -","- C28 H26 N2 O2 S2 -","2","1","FF2077","Go, Min Jeong; Park, Ka Hyun; Lee, Hwi Hyun; Lee, Junseong","(1S,2R)-1-[(E)-(Thiophen-2-ylmethylidene)amino]indan-2-ol","Acta Crystallographica Section E","2012","68","8","o2568","","10.1107/S1600536812032783","","","0.71073","MoKα","","0.0481","0.0434","","","0.1242","0.1305","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235790","4.929","0.0005","6.4258","0.0006","12.2812","0.001","78.161","0.003","85.175","0.003","72.776","0.004","363.52","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-carboxy-1H-imidazole-4- carboxylato-κ^2^N^3^,O^4^)iron(II)","","- C10 H10 Fe N4 O10 -","- C10 H10 Fe N4 O10 -","- C10 H10 Fe N4 O10 -","1","0.5","FJ2571","Ohshima, Eriko; Yoshida, Kazuki; Sugiyama, Kazumasa; Uekusa, Hidehiro","Triclinic modification of diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)iron(II)","Acta Crystallographica Section E","2012","68","8","m1093","m1094","10.1107/S1600536812031753","","","0.71069","MoKα","","0.0819","0.0414","","","0.0685","0.0754","","","","","","0.916","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235791","10.7814","0.0007","11.8538","0.0008","11.4782","0.0008","90","","93.332","0.008","90","","1464.44","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide","","- C14 H22 Br N3 -","- C14 H22 Br N3 -","- C56 H88 Br4 N12 -","4","1","FJ2572","Tiritiris, Ioannis; Kantlehner, Willi","1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide","Acta Crystallographica Section E","2012","68","8","o2308","","10.1107/S1600536812029224","","","0.71073","MoKα","","0.088","0.0351","","","0.077","0.0889","","","","","","0.806","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235792","7.3359","0.0001","7.3359","0.0001","54.7419","0.0013","90","","90","","90","","2945.96","0.09","180","2","180","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","FJ2573","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Barkaoui, Latifa; Berraho, Moha","Methyl 2-(4a,8-Dimethyl-7-oxodecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","8","o2391","","10.1107/S1600536812029303","","","1.54184","CuKα","","0.0433","0.0424","","","0.1068","0.1072","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235793","5.8533","0.0003","7.3527","0.0003","8.863","0.0004","73.413","0.004","76.926","0.004","88.856","0.004","355.69","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[bis(thiourea-κS)cadmium]-di-μ-thiocyanato- κ^2^N:S;κ^2^S:N] dihydrate]","","- C4 H12 Cd N6 O2 S4 -","- C4 H12 Cd N6 O2 S4 -","- C4 H12 Cd N6 O2 S4 -","1","0.5","FJ2575","Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw","catena-Poly[[[bis(thiourea-κS)cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N] dihydrate]","Acta Crystallographica Section E","2012","68","8","m1051","m1052","10.1107/S1600536812030267","","","0.71073","MoKα","","0.0362","0.0281","","","0.0584","0.0623","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235794","9.5758","0.0003","13.1009","0.0004","15.2124","0.0005","90","","100.718","0.001","90","","1875.13","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-acetato-κ^4^O:O-bis({N'-[(E)- phenyl(pyridin-2-ylκN)methylidene]benzohydrazidato- κ^2^N',O}copper(II))","","- C42 H34 Cu2 N6 O6 -","- C42 H34 Cu2 N6 O6 -","- C84 H68 Cu4 N12 O12 -","2","0.5","FJ2577","Vineetha, M. C.; Sithambaresan, M.; Jacob, Jinsa Mary; Kurup, M. R. Prathapachandra","Di-μ-acetato-κ^4^O:O-bis({N'-[(E)-phenyl(pyridin-2-yl-κN)methylidene]benzohydrazidato-κ^2^N',O}copper(II))","Acta Crystallographica Section E","2012","68","8","m1086","m1087","10.1107/S1600536812031467","","","0.71073","MoKα","","0.0302","0.0265","","","0.0754","0.0792","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235795","6.2576","0.0006","10.0851","0.0009","10.2388","0.0009","93.85","0.006","98.76","0.006","102.468","0.005","620.2","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","L1","1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane","","- C32 H24 N6 O2 -","- C32 H24 N6 O2 -","- C32 H24 N6 O2 -","1","0.5","FJ2578","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,2-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]ethane","Acta Crystallographica Section E","2012","68","8","o2384","o2385","10.1107/S1600536812030292","","","0.71073","MoKα","","0.0775","0.0616","","","0.1687","0.1816","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235796","4.8315","0.0004","17.5414","0.0014","25.828","0.002","90","","94.356","0.003","90","","2182.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-6-({2-[(3-ethoxy-2-hydroxybenzylidene)amino]benzyl}iminomethyl)phenol","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","FJ2580","Ambili, K. U.; Sreejith, S. S.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","2-Ethoxy-6-({2-[(3-ethoxy-2-hydroxybenzylidene)amino]benzyl}iminomethyl)phenol","Acta Crystallographica Section E","2012","68","8","o2482","","10.1107/S1600536812031479","","","0.71073","MoKα","","0.0715","0.0379","","","0.0899","0.1116","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235797","14.3483","0.0006","4.8143","0.0002","9.6685","0.0004","90","","99.215","0.002","90","","659.25","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminonicotinamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","FJ2584","Ntsala, Lerato P.; Lemmerer, Andreas","6-Aminonicotinamide","Acta Crystallographica Section E","2012","68","8","o2449","","10.1107/S1600536812031224","","","0.71073","MoKα","","","0.0395","","","","0.1133","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235798","16.8655","0.0002","21.0838","0.0005","7.0741","0.0005","90","","90.817","0.002","90","","2515.22","0.19","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","4","FK2064","Khalaji, Aliakbar Dehno; Nikookar, Mahsa; Fejfarová, Karla; Dušek, Michal","2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","8","o2445","o2446","10.1107/S1600536812031212","","","1.5418","CuKα","","0.0365","0.0329","","","0.0837","0.0867","","","","","","1.38","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235799","9.198","0.003","10.69","0.004","11.13","0.004","95.224","0.004","91.484","0.005","94.064","0.005","1086.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(Anthracen-9-yl)-10-methoxybenzo[h]quinoline acetone hemisolvate","","- C29.5 H22 N O1.5 -","- C29.5 H22 N O1.5 -","- C59 H44 N2 O3 -","2","1","FY2041","Dong, Zhenming; Liu, Bo; Cui, Xinxin; Liu, Yufang","2-(Anthracen-9-yl)-10-methoxybenzo[h]quinoline acetone hemisolvate","Acta Crystallographica Section E","2012","68","8","o2535","","10.1107/S1600536812031807","","","0.71073","MoKα","","0.0956","0.0686","","","0.1453","0.1595","","","","","","1.009","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235800","7.8393","0.0002","9.7462","0.0002","10.9147","0.0002","90","","103.251","0.001","90","","811.72","0.03","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","2-Aminoterephthalic acid N,N-dimethylformamide disolvate","","- C14 H21 N3 O6 -","- C14 H21 N3 O6 -","- C28 H42 N6 O12 -","2","1","FY2048","Loos, Stefan; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian","2-Aminoterephthalic acid N,N-dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","8","o2501","","10.1107/S1600536812031431","","","0.71073","MoKα","","0.0333","0.0311","","","0.089","0.0915","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235801","6.822","0.0008","23.567","0.003","7.3746","0.0009","90","","93.545","0.001","90","","1183.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(6-Bromo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2,2-dichloroethanone","","- C10 H8 Br Cl2 N O2 -","- C10 H8 Br Cl2 N O2 -","- C40 H32 Br4 Cl8 N4 O8 -","4","1","FY2057","Ye, Fei; Li, Ying; Fu, Ying; Zhao, Li-Xia; Gao, Shuang","1-(6-Bromo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2,2-dichloroethanone","Acta Crystallographica Section E","2012","68","8","o2509","","10.1107/S1600536812032011","","","0.71073","MoKα","","0.051","0.0381","","","0.0949","0.1021","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235802","12.618","0.003","5.1871","0.001","9.874","0.002","90","","90","","90","","646.3","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1H-Tetrazol-1-yl)acetic acid monohydrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","1","FY2060","Wang, Wen-Xiang","2-(1H-Tetrazol-1-yl)acetic acid monohydrate","Acta Crystallographica Section E","2012","68","8","o2561","","10.1107/S1600536812033090","","","0.71073","MoKα","","0.0343","0.0297","","","0.067","0.0688","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235803","27.382","0.004","6.5083","0.0007","13.369","0.002","90","","90","","90","","2382.5","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4- triazole-5(4H)-thione","","- C25 H35 N5 S -","- C25 H35 N5 S -","- C100 H140 N20 S4 -","4","1","FY2061","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Al-Tuwaijri, Hanaa M.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","3-(Adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2012","68","8","o2380","o2381","10.1107/S160053681202990X","","","1.54184","CuKα","","0.1009","0.0565","","","0.1048","0.1279","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235804","15.4388","0.0011","5.5781","0.0003","26.338","0.002","90","","102.94","0.006","90","","2210.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetralone thiosemicarbazone","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FY2063","de Oliveira, Adriano Bof; Silva, Cecília Santos; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","8","o2581","","10.1107/S1600536812033302","","","0.71073","MoKα","","0.054","0.045","","","0.1206","0.1258","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235805","15.234","0.004","16.859","0.004","9.699","0.003","90","","112.991","0.005","90","","2293.1","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate","","- C18 H30 N6 O9 -","- C18 H30 N6 O9 -","- C72 H120 N24 O36 -","4","0.5","GG2081","Ying, Yi-Mei; Zhang, Tong; Yang, Guang-Rui; Ma, Ning","Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1H-imidazole-5-carboxyate) monohydrate","Acta Crystallographica Section E","2012","68","8","o2327","","10.1107/S1600536812029406","","","0.71073","MoKα","","0.0778","0.0597","","","0.1678","0.1824","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235806","7.3483","0.0005","19.698","0.002","33.44","0.003","90","","90","","90","","4840.3","0.7","136","2","136","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosgenin hemihydrate","(25R)-Spirost-5-en-3-ol hemihydrate","","- C27 H43 O3.5 -","- C27 H43 O3.5 -","- C216 H344 O28 -","8","2","GG2085","Hernández Linares, María-Guadalupe; Bernès, Sylvain; Flores-Alamo, Marcos; Guerrero-Luna, Gabriel; Martínez-Gallegos, Anselmo A.","Diosgenin hemihydrate","Acta Crystallographica Section E","2012","68","8","o2357","","10.1107/S1600536812027912","","","1.5418","CuKα","","0.0993","0.0722","","","0.1588","0.1771","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235807","10.3396","0.0006","7.6466","0.0004","29.9511","0.0017","90","","97.207","0.005","90","","2349.3","0.2","136","2","136","2","","","","","","","","3","P 1 21 1","P 2yb","4","Diosgenone","(20S,22R,25R)-Spirost-4-en-3-one","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","2","GG2086","Hernández Linares, María-Guadalupe; Guerrero-Luna, Gabriel; Bernès, Sylvain; Flores-Alamo, Marcos; Fernández-Herrera, María A.","Diosgenone: a second P2~1~ polymorph","Acta Crystallographica Section E","2012","68","8","o2358","","10.1107/S160053681202908X","","","0.71073","MoKα","","0.0818","0.0519","","","0.0877","0.0985","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235808","11.0484","0.0003","11.2282","0.0003","14.8425","0.0004","89.205","0.001","87.678","0.001","76.997","0.001","1792.56","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Uyi C24","Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato- κ^2^O,O')bis(ethanol-κO)cobalt(II)","","- C38 H38 Co N4 O6 -","- C38 H38 Co N4 O6 -","- C76 H76 Co2 N8 O12 -","2","1","GG2088","Idemudia, Omoruyi G.; Hosten, Eric C.","Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ^2^O,O')bis(ethanol-κO)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1107","m1108","10.1107/S1600536812032837","","","0.71073","MoKα","","0.0437","0.0344","","","0.0867","0.095","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235809","16.4677","0.0009","6.4239","0.0004","17.4295","0.0008","90","","117.035","0.005","90","","1642.34","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aluminium methanesulfonate hexahydrate","Hexaaquaaluminium(III) tris(methanesulfonate)","","- C3 H21 Al O15 S3 -","- C3 H21 Al O15 S3 -","- C12 H84 Al4 O60 S12 -","4","1","GG2089","Trella, Thomas; Frank, Walter","Hexaaquaaluminium(III) tris(methanesulfonate)","Acta Crystallographica Section E","2012","68","8","m1136","m1137","10.1107/S1600536812033235","","","0.71073","MoKα","","0.0448","0.031","","","0.0704","0.0726","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235810","4.6607","0.0004","8.4769","0.0009","9.811","0.0009","94.859","0.003","91.41","0.002","97.278","0.002","382.87","0.06","223","","223","","","","","","","","","3","P -1","-P 1","2","","2,3,6,7-Tetramethoxy-9,10-anthraquinone","","- C18 H16 O6 -","- C18 H16 O6 -","- C18 H16 O6 -","1","0.5","GG2091","Ohta, Akira; Hattori, Kazuki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi; Kitamura, Chitoshi","2,3,6,7-Tetramethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","8","o2587","","10.1107/S1600536812033119","","","0.71073","MoKα","","0.1068","0.0544","","","0.1513","0.2335","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235811","8.3817","0.0001","9.9238","0.0002","22.809","0.0004","90","","90","","90","","1897.21","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","","- C22 H16 Cl N O4 -","- C22 H16 Cl N O4 -","- C88 H64 Cl4 N4 O16 -","4","1","GG2092","Troshin, Konstantin; Mayer, Peter; Mayr, Herbert","(R,E)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","Acta Crystallographica Section E","2012","68","8","o2549","","10.1107/S1600536812032813","","","0.71073","MoKα","","0.0404","0.0333","","","0.079","0.0829","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235812","17.058","0.004","19.574","0.005","19.927","0.005","90","","97.289","0.004","90","","6600","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(1,10-phenanthroline)- 1κ^4^N,N';3κ^4^N,N'-bis(μ-pyridine-2,6- dicarboxylato)-1:2κ^5^O^2^,O^2'^: O^2^,N,O^6^;2:3κ^5^O^2^,N,O^6^: O^6^,O^6-^-(pyridine-2,6-dicarboxylato)- 2κ^3^O^2^,N,O^6^-1,3-dicopper(II)-2-terbium(III) nitrate tetrahydrate","","- C69 H49 Cu2 N12 O19 Tb -","- C69 H49 Cu2 N12 O19 Tb -","- C276 H196 Cu8 N48 O76 Tb4 -","4","0.5","GK2483","Zhang, Wei","Tetrakis(1,10-phenanthroline)bis(μ-pyridine-2,6-dicarboxylato)(pyridine-2,6-dicarboxylato)dicopper(II)terbium(III) nitrate tetrahydrate","Acta Crystallographica Section E","2012","68","8","m1084","m1085","10.1107/S1600536812031686","","","0.71073","MoKα","","0.0583","0.0411","","","0.1195","0.1337","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235813","12.0111","0.0004","7.7759","0.0003","18.9777","0.0007","90","","103.569","0.001","90","","1722.99","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)]","","- C20 H52 Ge2 N8 S6 -","- C20 H52 Ge2 N8 S6 -","- C40 H104 Ge4 N16 S12 -","2","0.5","GK2485","Wang, Nian-Nian; Xu, Chao; Duan, Taike; Chen, Qun; Zhang, Qian-Feng","Bis[3,3'-(piperazine-1,4-diyl)dipropanaminium] di-μ~2~-sulfido-bis[disulfidogermanate(IV)]","Acta Crystallographica Section E","2012","68","8","m1046","","10.1107/S1600536812030334","","","0.71073","MoKα","","0.0506","0.0393","","","0.1064","0.113","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235814","18.9013","0.0004","18.9013","0.0004","9.9174","0.0004","90","","90","","90","","3543.08","0.18","296","2","296","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Diaqua[μ-11,23-di-tert-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^N^3^,N^7^,O^25^,O^26^:κ^4^N^15^,N^19^,O^25^,O^26^]dicopper(II) bis(perchlorate)","","- C30 H42 Cl2 Cu2 N4 O12 -","- C30 H42 Cl2 Cu2 N4 O12 -","- C120 H168 Cl8 Cu8 N16 O48 -","4","0.5","GK2504","Xu, Qiang; Wang, Zhaodong; He, Jiahong; Song, Zhongrong; Chen, Fengming; Meng, Jiangping; Hu, Chengbo","Diaqua[μ-11,23-di-tert-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^N^3^,N^7^,O^25^,O^26^:κ^4^N^15^,N^19^,O^25^,O^26^]dicopper(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","8","m1060","m1061","10.1107/S1600536812031248","","","0.71073","MoKα","","0.0515","0.0385","","","0.1019","0.115","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2235815","6.9341","0.0003","11.444","0.0004","15.4719","0.0005","89.611","0.003","84.738","0.003","74.981","0.003","1180.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- [4-(methylsulfanyl)phenyl]prop-2-en-1-one","","- C29 H22 F2 O2 S -","- C29 H22 F2 O2 S -","- C58 H44 F4 O4 S2 -","2","1","GK2507","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.","(2E)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2378","","10.1107/S1600536812030139","","","0.71073","MoKα","","0.0895","0.0522","","","0.119","0.1422","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235816","7.8993","0.0003","8.572","0.0003","12.608","0.0005","88.013","0.003","82.27","0.003","65.717","0.004","770.92","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(E)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","GK2509","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-[(E)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid","Acta Crystallographica Section E","2012","68","8","o2425","","10.1107/S1600536812030711","","","0.71073","MoKα","","0.0481","0.037","","","0.095","0.1032","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235817","12.901","0.003","14.013","0.003","5.8572","0.0012","90","","97.33","0.02","90","","1050.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,2,3,4,5,6-Hexa-O-acetyl-scyllo-inositol","","- C18 H24 O12 -","- C18 H24 O12 -","- C36 H48 O24 -","2","0.25","GK2511","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Chib, Renu; Shah, Bhahwal A.; Taneja, Subhash C.","1,2,3,4,5,6-Hexa-O-acetyl-scyllo-inositol","Acta Crystallographica Section E","2012","68","8","o2594","","10.1107/S1600536812033600","","","0.71073","MoKα","","0.1248","0.0611","","","0.174","0.1982","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235818","3.8779","0.0002","18.8518","0.0011","8.2015","0.0004","90","","100.78","0.002","90","","588.99","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-3-methyl-1,2-oxazole-4-carbonitrile","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","GK2513","Shoghpour, Samad; Keykha, Amir; Amiri Rudbari, Hadi; Rahimizadeh, Mohammad; Bakavoli, Mehdi; Pourayoubi, Mehrdad; Nicolò, Francesco","5-Amino-3-methyl-1,2-oxazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2530","","10.1107/S1600536812032667","","","0.71073","MoKα","","0.043","0.0353","","","0.0992","0.1073","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235819","10.0321","0.0003","17.4842","0.0006","13.9095","0.0004","90","","91.699","0.003","90","","2438.7","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide","","- C22 H23 Br N4 O4 S2 -","- C22 H23 Br N4 O4 S2 -","- C88 H92 Br4 N16 O16 S8 -","4","1","GK2516","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Kumar, Mohan; Mallesha, L.; Sridhar, M. A.","N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2590","o2591","10.1107/S1600536812033375","","","0.71073","MoKα","","0.0706","0.0408","","","0.0747","0.0862","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235820","9.7813","0.0002","13.5885","0.0003","14.2698","0.0003","90","","90","","90","","1896.64","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","GO2059","Anitha, A. G.; Hema, R.; Bansal, Ranju; Thota, Sridhar; Rizwana Begum, S.","16α,17α-Epoxy-17β-(1H-imidazol-1-yl)androst-4-en-3-one monohydrate","Acta Crystallographica Section E","2012","68","8","o2345","","10.1107/S1600536812029479","","","0.71073","MoKα","","0.0413","0.0328","","","0.0782","0.0825","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235821","9.9007","0.0005","13.289","0.0007","13.0686","0.0008","90","","91.314","0.002","90","","1718.99","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2- hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile","","- C17 H25 N3 O3 -","- C17 H25 N3 O3 -","- C68 H100 N12 O12 -","4","1","GO2062","Kim, Hyung Jin; Kim, Young Hyun; Otgonbaatar, Enkhzul; Kwak, Chee-Hun","(E)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2572","","10.1107/S160053681203334X","","","0.71073","MoKα","","0.0608","0.0491","","","0.1276","0.1363","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235822","10.0534","0.0009","13.0076","0.0012","23.808","0.002","90","","102.076","0.001","90","","3044.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-tert-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)- 1,3-thiazole","","- C16 H20 N2 S -","- C16 H20 N2 S -","- C128 H160 N16 S8 -","8","4","GW2121","Pawar, Sunayna; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(S)-4-tert-Butyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole","Acta Crystallographica Section E","2012","68","8","o2487","","10.1107/S160053681203173X","","","0.71073","MoKα","","0.11","0.0918","","","0.2818","0.2993","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235823","5.9398","0.0006","7.4137","0.0007","15.897","0.002","77.846","0.009","81.613","0.007","68.185","0.009","633.57","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C26 H20 Br2 N6 O6 -","2","1","GW2122","Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Chen, Jhy-Der","Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2012","68","8","o2497","","10.1107/S1600536812032102","","","0.71073","MoKα","","0.0459","0.0336","","","0.0709","0.0758","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235824","12.8905","0.0002","12.982","0.0003","34.6469","0.001","90","","90","","90","","5798","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","40-Deoxy-40(S)-iodorapamycin","40-Deoxy-40(S)-iodorapamycin","","- C51 H78 I N O12 -","- C51 H78 I N O12 -","- C204 H312 I4 N4 O48 -","4","1","HB6726","Xie, Lijun; Zuo, Jian; Yang, Guoxin; Zheng, Congshen; Cheng, Yuanrong","40-Deoxy-40(S)-iodorapamycin","Acta Crystallographica Section E","2012","68","8","o2331","","10.1107/S1600536812027547","","","1.54178","CuKα","","0.0613","0.0486","","","0.1241","0.1356","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235825","14.5775","0.0016","14.5775","0.0016","6.3506","0.0016","90","","90","","120","","1168.7","0.3","120","2","120","2","","","","","","","","5","P -3","-P 3","147","","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","- C43.3 H36 N9.9 O26.1 Zn2.35 -","1","0.166667","HB6768","Tabatabaee, Masoumeh; Derikvand, Zohreh; Attar Gharamaleki, Jafar","Guanidinium hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate]","Acta Crystallographica Section E","2012","68","8","m1035","","10.1107/S160053681202987X","","","0.71073","MoKα","","0.0649","0.0447","","","0.0997","0.1055","","","","","","1","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2235826","9.417","0.004","9.33","0.004","14.449","0.006","90","","100.127","0.005","90","","1249.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2E,6E)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","","- C29 H28 Cl2 Fe2 O -","- C29 H28 Cl2 Fe2 O -","- C58 H56 Cl4 Fe4 O2 -","2","1","HB6805","Long, Shi-Jia; Yang, Wu; Liu, Yong-Hong","(2E,6E)-2,6-Bis(ferrocenylmethylidene)cyclohexanone dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","8","m1064","","10.1107/S1600536812030899","","","0.71073","MoKα","","0.0856","0.0516","","","0.1098","0.1274","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235827","11.2965","0.0004","15.3594","0.0005","20.6641","0.0007","90","","90","","90","","3585.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(diphenylarsino)methane-1:2κ^2^As:As]decacarbonyl- 1κ^3^C,2κ^3^C,3κ^4^C-triangulo-triosmium(0)","","- C35 H22 As2 O10 Os3 -","- C35 H22 As2 O10 Os3 -","- C140 H88 As8 O40 Os12 -","4","1","HB6822","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(diphenylarsino)methane-1:2κ^2^As:As]decacarbonyl-1κ^3^C,2κ^3^C,3κ^4^C-triangulo-triosmium(0)","Acta Crystallographica Section E","2012","68","8","m1119","m1120","10.1107/S1600536812024208","","","0.71073","MoKα","","0.0193","0.0177","","","0.0397","0.0401","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235828","24.367","0.005","24.407","0.003","4.7786","0.0005","90","","90","","90","","2842","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","ortho-vanillin","2-Hydroxy-3-methoxybenzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","1","HB6851","Shin, David; Müller, Peter","2-Hydroxy-3-methoxybenzaldehyde (o-vanillin) revisited","Acta Crystallographica Section E","2012","68","8","o2336","o2337","10.1107/S1600536812029571","","","0.71073","MoKα","","0.0362","0.0343","","","0.0931","0.0954","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235829","11.5768","0.0006","7.3222","0.0005","29.2849","0.0015","90","","90","","90","","2482.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","HB6857","Tahir, M. Nawaz; Sirajuddin, Muhammad; Ali, Saqib; Munawar, Khurram Shahzad","2-(2-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione","Acta Crystallographica Section E","2012","68","8","o2589","","10.1107/S1600536812027262","","","0.71073","MoKα","","0.0577","0.0411","","","0.0996","0.1118","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235830","13.5714","0.001","8.4621","0.0006","11.4547","0.0009","90","","93.83","0.002","90","","1312.55","0.17","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","N'-(2,4-Dinitrophenyl)benzohydrazide","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","HB6871","Saeed, Aamer; Arshad, Ifzan; Flörke, Ulrich","N'-(2,4-Dinitrophenyl)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2418","","10.1107/S1600536812030619","","","0.71073","MoKα","","0.0313","0.0297","","","0.0815","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235831","7.1242","0.0003","9.5605","0.0005","14.2593","0.0009","76.083","0.005","75.577","0.004","74.821","0.004","891.68","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Oxido[2-{(E)-[((1E)-{(E)-2-[1-(2- oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1- ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV)","","- C19 H17 N3 O3 S V -","- C19 H17 N3 O3 S V -","- C38 H34 N6 O6 S2 V2 -","2","1","HB6874","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","Oxido[2-{(E)-[((1E)-{(E)-2-[1-(2-oxidophenyl)ethylidene]hydrazin-1-ylidene}(prop-2-en-1-ylsulfanyl)methyl)imino]methyl}phenolato]vanadium(IV)","Acta Crystallographica Section E","2012","68","8","m1033","m1034","10.1107/S1600536812029819","","","0.71073","MoKα","","0.0859","0.0756","","","0.1851","0.1906","","","","","","1.203","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235832","11.1959","0.001","7.5902","0.0006","18.3886","0.0012","90","","100.453","0.008","90","","1536.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3- carbonitrile","","- C17 H17 Br N2 O -","- C17 H17 Br N2 O -","- C68 H68 Br4 N8 O4 -","4","1","HB6875","Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.","4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2376","o2377","10.1107/S1600536812029820","","","0.71073","MoKα","","0.103","0.0625","","","0.1479","0.1729","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235833","7.615","0.0004","14.6248","0.0007","15.2915","0.0008","94.706","0.001","101.627","0.001","90.572","0.001","1661.8","0.15","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","2","HB6876","Fun, Hoong-Kun; Arshad, Suhana; Ubaradka, S. R.; Shetty, Prakash; Isloor, Arun M.","1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene","Acta Crystallographica Section E","2012","68","8","o2317","o2318","10.1107/S1600536812029194","","","0.71073","MoKα","","0.0595","0.0415","","","0.1051","0.1165","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235834","11.2728","0.0008","12.2354","0.0005","13.1002","0.0009","90","","110.946","0.003","90","","1687.47","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-1H-benzotriazole 3-oxide‒1-hydroxy-1H-benzotriazole (1/1)","","- C19 H16 N6 O2 -","- C19 H16 N6 O2 -","- C76 H64 N24 O8 -","4","1","HB6878","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1H-benzotriazole 3-oxide‒1-hydroxy-1H-benzotriazole (1/1)","Acta Crystallographica Section E","2012","68","8","o2399","","10.1107/S1600536812030061","","","1.54178","CuKα","","0.0508","0.0478","","","0.1296","0.1322","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235835","7.6092","0.0002","12.7854","0.0003","11.9938","0.0003","90","","90.556","0.002","90","","1166.78","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Nitrophenyl)-1,3-benzothiazole","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C52 H32 N8 O8 S4 -","4","1","HB6879","Vijayakumar, S.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2-Nitrophenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","8","o2362","","10.1107/S1600536812029844","","","0.71073","MoKα","","0.0519","0.0388","","","0.1045","0.1129","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235836","15.7611","0.0009","18.0089","0.0011","11.6451","0.0007","90","","90","","90","","3305.3","0.3","100","1","100","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro- 1H-xanthene-1,8(2H)-dione","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","1","HB6880","Fun, Hoong-Kun; Ooi, Chin Wei; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S.","10a-Hydroxy-9-(4-methoxyphenyl)-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H)-dione","Acta Crystallographica Section E","2012","68","8","o2367","o2368","10.1107/S160053681203005X","","","0.71073","MoKα","","0.0459","0.037","","","0.1012","0.1083","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235837","22.5107","0.0005","9.7642","0.0002","19.5594","0.0003","90","","116.679","0.001","90","","3841.43","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(Adamantan-1-yl)-3-[(2-methoxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole","","- C21 H27 N3 O S -","- C21 H27 N3 O S -","- C168 H216 N24 O8 S8 -","8","1","HB6881","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Asiri, Hanadi H.; Chantrapromma, Suchada; Fun, Hoong-Kun","5-(Adamantan-1-yl)-3-[(2-methoxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","8","o2326","","10.1107/S1600536812029510","","","1.54178","CuKα","","0.0497","0.0451","","","0.1252","0.1297","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235838","8.6037","0.0001","9.3146","0.0002","11.459","0.0002","92.463","0.001","91.544","0.001","92.969","0.001","915.85","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒ methanol (1/0.47/0.53)","","- C17.47 H16.94 F3 N3 O3 S -","- C17.47 H16.94 F3 N3 O3 S -","- C34.94 H33.88 F6 N6 O6 S2 -","2","1","HB6882","Ghorab, Mostafa M.; Al-Said, Mansour S.; Al-Mishari, Abdullah A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-{[7-(Trifluoromethyl)quinolin-4-yl]amino}benzenesulfonamide‒ethanol‒methanol (1/0.47/0.53)","Acta Crystallographica Section E","2012","68","8","o2396","","10.1107/S1600536812029698","","","1.54178","CuKα","","0.047","0.0448","","","0.1272","0.1293","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235839","10.967","0.005","20.301","0.005","11.072","0.005","90","0.005","119.268","0.005","90","0.005","2150.4","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Triethylammonium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate","Triethylammonium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)- 1,2,3,6-tetrahydropyrimidin-4-olate","","- C18 H24 N6 O9 -","- C18 H24 N6 O9 -","- C72 H96 N24 O36 -","4","1","HB6883","Rajamani, Kulandaiya; Kalaivani, Doraisamyraja","Triethylammonium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate","Acta Crystallographica Section E","2012","68","8","o2395","","10.1107/S1600536812030450","","","0.71073","MoKα","","0.0507","0.0364","","","0.0957","0.108","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235840","5.2305","0.0003","17.6073","0.0011","15.6578","0.001","90","","103.782","0.002","90","","1400.49","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","HB6884","Fun, Hoong-Kun; Chia, Tze Shyang; Al-Rashood, Khalid A.; Abdel-Aziz, Hatem A.","(Z)-1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone oxime","Acta Crystallographica Section E","2012","68","8","o2369","","10.1107/S1600536812030346","","","0.71073","MoKα","","0.0488","0.0368","","","0.0954","0.1046","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235841","4.5428","0.0008","20.096","0.004","17.788","0.003","90","","93.003","0.004","90","","1621.7","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Methoxyphenyl)benzo[d]thiazolo[3,2-a]imidazol-9-ium hydrogen sulfate","","- C16 H14 N2 O5 S2 -","- C16 H14 N2 O5 S2 -","- C64 H56 N8 O20 S8 -","4","1","HB6885","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","3-(3-Methoxyphenyl)benzo[d]thiazolo[3,2-a]imidazol-9-ium hydrogen sulfate","Acta Crystallographica Section E","2012","68","8","o2407","o2408","10.1107/S1600536812030541","","","0.71073","MoKα","","0.0764","0.0579","","","0.152","0.1697","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235842","4.5447","0.0016","11.285","0.004","15.551","0.006","90","","96.455","0.005","90","","792.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyano-1-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","1","HB6887","Kammer, Michael N.; Mague, Joel T.; Koplitz, Lynn V.","4-Cyano-1-methylpyridinium bromide","Acta Crystallographica Section E","2012","68","8","o2409","","10.1107/S1600536812030449","","","0.71073","MoKα","","0.0298","0.0269","","","0.0704","0.0725","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235843","8.9183","0.0007","11.3348","0.0009","15.5534","0.0012","85.471","0.001","75.804","0.001","75.007","0.001","1472.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[tetra-μ-benzoato-κ^8^O:O'-dicopper(II)]- μ-[N-(pyridin-4-yl)nicotinamide]-κ^2^N:N'- [dibenzoato-κ^2^O-copper(II)]-μ-[N- (pyridin-4-yl)nicotinamide]-κ^2^N:N']","","- C64 H48 Cu3 N6 O14 -","- C64 H48 Cu3 N6 O14 -","- C64 H48 Cu3 N6 O14 -","1","0.5","HB6888","Kraft, Peter E.; LaDuca, Robert L.","catena-Poly[[tetra-μ-benzoato-κ^8^O:O'-dicopper(II)]-μ-[N-(pyridin-4-yl)nicotinamide]-κ^2^N:N'-[dibenzoato-κ^2^O-copper(II)]-μ-[N-(pyridin-4-yl)nicotinamide]-κ^2^N:N']","Acta Crystallographica Section E","2012","68","8","m1049","m1050","10.1107/S1600536812030437","","","0.71073","MoKα","","0.0556","0.0351","","","0.0729","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235844","16.421","0.002","4.6397","0.0007","20.1144","0.0018","90","","123.15","0.007","90","","1283.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","HB6891","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2461","","10.1107/S1600536812031595","","","0.71073","MoKα","","0.0562","0.04","","","0.0933","0.1031","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235845","5.5308","0.0008","8.5316","0.0012","9.4249","0.0014","103.5","0.003","90.878","0.003","97.232","0.004","428.54","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(3-Bromophenyl)thiourea","","- C7 H7 Br N2 S -","- C7 H7 Br N2 S -","- C14 H14 Br2 N4 S2 -","2","1","HB6892","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(3-Bromophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2462","","10.1107/S1600536812031601","","","0.71073","MoKα","","0.0274","0.024","","","0.0645","0.0667","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235846","19.163","0.006","5.0458","0.0011","17.252","0.004","90","","116.365","0.005","90","","1494.6","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","HB6893","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(4-Chlorophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2463","","10.1107/S1600536812031613","","","0.71073","MoKα","","0.1389","0.0604","","","0.152","0.2076","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235847","5.2668","0.0001","13.0861","0.0002","18.5373","0.0003","90","","105.64","0.001","90","","1230.32","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Naphthalen-1-yl)-N-(1,3-thiazol-2-yl)acetamide","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C60 H48 N8 O4 S4 -","4","1","HB6894","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(Naphthalen-1-yl)-N-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2464","","10.1107/S1600536812031583","","","0.71073","MoKα","","0.0611","0.0467","","","0.1003","0.1075","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235848","14.2766","0.0006","7.0676","0.0002","13.8598","0.0006","90","","118.736","0.002","90","","1226.24","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine","","- C12 H14 N2 S -","- C12 H14 N2 S -","- C48 H56 N8 S4 -","4","1","HB6896","Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Khan, Ather Farooq; Tariq, Muhammad Ilyas","N-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2012","68","8","o2441","","10.1107/S1600536812031315","","","0.71073","MoKα","","0.0488","0.0387","","","0.107","0.1164","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235849","6.7094","0.0002","9.4134","0.0003","49.162","0.0016","90","","90","","90","","3104.99","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1H-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","HB6897","Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","3-(1H-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","Acta Crystallographica Section E","2012","68","8","o2492","","10.1107/S1600536812032357","","","0.71073","MoKα","","0.0606","0.0457","","","0.1044","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235850","14.0922","0.0014","15.9682","0.0015","8.1338","0.0008","90","","105.344","0.002","90","","1765.1","0.3","100","1","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2,3-Dimethylanilino)-N'-(thiophen-2- ylmethylidene)benzohydrazide","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C80 H76 N12 O4 S4 -","4","1","HB6898","Fun, Hoong-Kun; Chia, Tze Shyang; Bhat, Mashooq A.; Al-Omar, Mohamed A.; Abdel-Aziz, Hatem A.","(E)-2-(2,3-Dimethylanilino)-N'-(thiophen-2-ylmethylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2524","o2525","10.1107/S160053681203259X","","","0.71073","MoKα","","0.0911","0.051","","","0.1101","0.128","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235851","6.9469","0.0002","7.6722","0.0003","20.9874","0.0007","91.519","0.001","97.577","0.001","107.791","0.001","1053.15","0.06","100","1","100","","","","","","","","","6","P -1","-P 1","2","","2-Anilino-4-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzoyl)thiophene-3-carbonitrile","","- C25 H14 Cl N3 O S2 -","- C25 H14 Cl N3 O S2 -","- C50 H28 Cl2 N6 O2 S4 -","2","1","HB6899","Fun, Hoong-Kun; Chia, Tze Shyang; Abdel-Aziz, Hatem A.","2-Anilino-4-(1,3-benzothiazol-2-yl)-5-(4-chlorobenzoyl)thiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2529","","10.1107/S1600536812032588","","","0.71073","MoKα","","0.0342","0.0292","","","0.0794","0.0832","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235852","6.9092","0.0008","6.9609","0.0007","14.9458","0.0015","81.562","0.002","81.328","0.002","66.269","0.002","647.56","0.12","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-(2,3-Dimethylanilino)benzohydrazide","","- C15 H17 N3 O -","- C15 H17 N3 O -","- C30 H34 N6 O2 -","2","1","HB6900","Fun, Hoong-Kun; Chia, Tze Shyang; Elsaman, Tilal; Attia, Mohamed I.; Abdel-Aziz, Hatem A.","2-(2,3-Dimethylanilino)benzohydrazide","Acta Crystallographica Section E","2012","68","8","o2527","o2528","10.1107/S1600536812032576","","","0.71073","MoKα","","0.05","0.0388","","","0.0954","0.1083","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235853","14.0086","0.0016","9.4215","0.0011","20.61","0.002","90","","109.04","0.002","90","","2571.3","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-N-(5-methylpyridin-2-yl)acetamide","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C112 H104 Br8 N16 O8 -","8","2","HB6903","Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-N-(5-methylpyridin-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2526","","10.1107/S1600536812032631","","","0.71073","MoKα","","0.0548","0.0327","","","0.0626","0.0675","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235854","18.1224","0.0003","7.91914","0.00014","19.7355","0.0004","90","","113.502","0.001","90","","2597.37","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","[2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","1","HB6909","Sasagawa, Kosuke; Hijikata, Daichi; Sakamoto, Rei; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(4-propylbenzoyl)naphthalen-1-yl](4-propylphenyl)methanone","Acta Crystallographica Section E","2012","68","8","o2596","","10.1107/S1600536812033582","","","1.54187","CuKα","","0.071","0.0477","","","0.1225","0.152","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235855","18.9892","0.0016","6.766","0.0005","13.0072","0.001","90","","95.958","0.003","90","","1662.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(E)-N-(Adamantan-1-yl)carboximidoyl]-6-ethoxyphenol","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C76 H100 N4 O8 -","4","1","HB6914","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Zaneb, Mahreen","2-[(E)-N-(Adamantan-1-yl)carboximidoyl]-6-ethoxyphenol","Acta Crystallographica Section E","2012","68","8","o2588","","10.1107/S1600536812033594","","","0.71073","MoKα","","0.0802","0.0512","","","0.134","0.1575","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235856","7.9449","0.0002","8.8911","0.0002","9.5718","0.0003","90","","100.917","0.002","90","","663.91","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)","","- H2 Mn3 O16 P4 Pb2 -","- H2 Mn3 O16 P4 Pb2 -","- H4 Mn6 O32 P8 Pb4 -","2","0.5","HP2043","Assani, Abderrazzak; Saadi, Mohamed; Zriouil, Mohammed; El Ammari, Lahcen","Dilead(II) trimanganese(II) bis(hydrogenphosphate) bis(phosphate)","Acta Crystallographica Section E","2012","68","8","i66","","10.1107/S1600536812033259","","","0.71073","MoKα","","0.0203","0.0197","","","0.0501","0.0505","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235857","16.091","0.005","11.189","0.003","13.931","0.003","90","","113.275","0.003","90","","2304.1","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis[2-(1,3-thiazol-4-yl-κN)- 1H-benzimidazole-κN^3^]nickel(II) nitrate","","- C20 H16 Cl N7 Ni O4 S2 -","- C20 H16 Cl N7 Ni O4 S2 -","- C80 H64 Cl4 N28 Ni4 O16 S8 -","4","1","HY2553","Liang, Peng; Wu, Wei; Tian, Wei-Man; Yin, Xian-Hong","Aquachloridobis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN^3^]nickel(II) nitrate","Acta Crystallographica Section E","2012","68","8","m1029","","10.1107/S1600536812029728","","","0.71073","MoKα","","0.0743","0.0536","","","0.1592","0.1739","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235858","9.3257","0.0019","9.1312","0.0018","11.652","0.002","90","","101.344","0.004","90","","972.8","0.3","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^N:N')[μ~3~-3-bromo-2- (carboxylatomethyl)benzoato-κ^3^O^1^:O^1'^:O^2^]cadmium] monohydrate]","","- C19 H17 Br Cd N2 O6 -","- C19 H17 Br Cd N2 O6 -","- C38 H34 Br2 Cd2 N4 O12 -","2","1","HY2559","Liu, Yangmei; Cao, Kai; Wang, Fenglin","Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^N:N')[μ~3~-3-bromo-2-(carboxylatomethyl)benzoato-κ^3^O^1^:O^1'^:O^2^]cadmium] monohydrate]","Acta Crystallographica Section E","2012","68","8","m1071","","10.1107/S1600536812031297","","","0.71073","MoKα","","0.053","0.049","","","0.1155","0.1175","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235859","14.803","0.004","11.709","0.003","14.082","0.004","90","","101.439","0.004","90","","2392.3","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloridobis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole- κN^3^]cobalt(II) chloride dihydrate","","- C20 H18 Cl2 Co N6 O2 S2 -","- C20 H18 Cl2 Co N6 O2 S2 -","- C80 H72 Cl8 Co4 N24 O8 S8 -","4","1","HY2563","Shi, Zhan-Wang; Qin, Yan; Lin, Yan-Xia; Wu, Wei; Liang, Peng","Chloridobis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN^3^]cobalt(II) chloride dihydrate","Acta Crystallographica Section E","2012","68","8","m1042","m1043","10.1107/S1600536812030371","","","0.71073","MoKα","","0.0418","0.0329","","","0.0894","0.096","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235860","11.713","0.004","6.954","0.002","19.585","0.007","90","","100.507","0.005","90","","1568.5","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-2,2'-(1,4-Phenylene)diacetato-κ^2^O^1^:O^4^]bis[aqua(2,2'- bipyridine-κ^2^N,N')chloridocopper(II)] dihydrate","","- C30 H32 Cl2 Cu2 N4 O8 -","- C30 H32 Cl2 Cu2 N4 O8 -","- C60 H64 Cl4 Cu4 N8 O16 -","2","0.5","HY2565","Zhao, Jin-He; Lin, Yan-Xia; Wu, Wei; Zhang, Zhong","[μ-2,2'-(1,4-Phenylene)diacetato-κ^2^O^1^:O^4^]bis[aqua(2,2'-bipyridine-κ^2^N,N')chloridocopper(II)] dihydrate","Acta Crystallographica Section E","2012","68","8","m1114","","10.1107/S1600536812029686","","","0.71073","MoKα","","0.0921","0.0832","","","0.1727","0.1768","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235861","9.2553","0.0005","12.4913","0.0005","18.19","0.001","90","","90.156","0.004","90","","2102.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(ethylenediamine-κ^2^N,N')nickel(II) bis(dimethyl phosphate)","","- C10 H36 N6 Ni O8 P2 -","- C10 H36 N6 Ni O8 P2 -","- C40 H144 N24 Ni4 O32 P8 -","4","1","HY2566","Rafizadeh, Masoud; Saadati Moshtaghin, Hamid Reza; Amani, Vahid","Tris(ethylenediamine-κ^2^N,N')nickel(II) bis(dimethyl phosphate)","Acta Crystallographica Section E","2012","68","8","m1032","","10.1107/S1600536812029984","","","0.71073","MoKα","","0.0411","0.0336","","","0.0821","0.0848","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235862","9.8643","0.0008","10.1267","0.0009","14.3538","0.0012","91.149","0.001","101.27","0.001","110.857","0.001","1307.75","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN^4^)propan-1- one]bis(thiocyanato-κN)copper(II)","","- C24 H22 Cu N8 O2 S2 -","- C24 H22 Cu N8 O2 S2 -","- C48 H44 Cu2 N16 O4 S4 -","2","1","HY2568","Cai, Hua; Guo, Ying; Li, Jian-Gang","Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN^4^)propan-1-one]bis(thiocyanato-κN)copper(II)","Acta Crystallographica Section E","2012","68","8","m1115","","10.1107/S160053681203108X","","","0.71073","MoKα","","0.0385","0.0313","","","0.0868","0.0909","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235863","21.03","0.004","10.01","0.002","16.118","0.003","90","","105.58","0.03","90","","3268.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Acetylacetonato-κ^2^O,O')bis{5-fluoro-2-[3-(4- fluorophenyl)pyrazin-2-yl]phenyl-κ^2^N^1^,C^1^}iridium(III)","","- C37 H25 F4 Ir N4 O2 -","- C37 H25 F4 Ir N4 O2 -","- C148 H100 F16 Ir4 N16 O8 -","4","0.5","HY2570","Ge, Guo-Ping; Li, Chun-Yan","(Acetylacetonato-κ^2^O,O')bis{5-fluoro-2-[3-(4-fluorophenyl)pyrazin-2-yl]phenyl-κ^2^N^1^,C^1^}iridium(III)","Acta Crystallographica Section E","2012","68","8","m1079","","10.1107/S1600536812031546","","","0.71073","MoKα","","0.0335","0.032","","","0.0773","0.0787","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235864","9.0169","0.0006","14.5503","0.0008","14.1473","0.0008","90","","106.561","0.005","90","","1779.11","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromido(dimethyl sulfoxide-κO)(6-methyl-2,2'-bipyridine-κ^2^N,N')cadmium","","- C13 H16 Br2 Cd N2 O S -","- C13 H16 Br2 Cd N2 O S -","- C52 H64 Br8 Cd4 N8 O4 S4 -","4","1","HY2573","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(dimethyl sulfoxide-κO)(6-methyl-2,2'-bipyridine-κ^2^N,N')cadmium","Acta Crystallographica Section E","2012","68","8","m1124","","10.1107/S1600536812033168","","","0.71073","MoKα","","0.0766","0.0594","","","0.1652","0.175","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235865","7.7487","0.0003","11.3404","0.0003","14.2969","0.0004","90","","90","","90","","1256.32","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-[(E)-4-Fluorobenzylidene]-3,4-dimethylaniline","","- C15 H14 F N -","- C15 H14 F N -","- C60 H56 F4 N4 -","4","1","IM2381","Jin, Yue-Bao; Chang, Yong-Kang; Zhang, Ying; Lei, Ke-Wei","N-[(E)-4-Fluorobenzylidene]-3,4-dimethylaniline","Acta Crystallographica Section E","2012","68","8","o2415","","10.1107/S1600536812030474","","","0.71073","MoKα","","0.0489","0.0397","","","0.0965","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235866","13.5","0.0018","29.964","0.005","7.5565","0.0005","90","","90","","90","","3056.7","0.7","113","2","113","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-Bromophthalazine hemihydrate","","- C8 H6 Br N2 O0.5 -","- C8 H6 Br N2 O0.5 -","- C128 H96 Br16 N32 O8 -","16","1","IM2382","Cai, Mingjian","5-Bromophthalazine hemihydrate","Acta Crystallographica Section E","2012","68","8","o2421","","10.1107/S1600536812030358","","","0.71073","MoKα","","0.0298","0.0292","","","0.0739","0.0742","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235867","6.8666","0.0002","7.8783","0.0002","8.4335","0.0002","100.221","0.001","99.255","0.001","99.328","0.001","434.53","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetramethyl tetrathiafulvalene-2,3,6,7-tetracarboxylate","","- C14 H12 O8 S4 -","- C14 H12 O8 S4 -","- C14 H12 O8 S4 -","1","0.5","IM2387","Katzsch, Felix; Weber, Edwin","Redetermination of tetramethyl tetrathiafulvalene-2,3,6,7-tetracarboxylate","Acta Crystallographica Section E","2012","68","8","o2354","o2355","10.1107/S1600536812029534","","","0.71073","MoKα","","0.0214","0.0206","","","0.054","0.0545","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235868","16.598","0.008","35.455","0.018","9.821","0.005","90","","90.718","0.005","90","","5779","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(5-Bromo-2-hydroxybenzylidene)-2-(4- isobutylphenyl)propanohydrazide","","- C20 H23 Br N2 O2 -","- C20 H23 Br N2 O2 -","- C240 H276 Br12 N24 O24 -","12","3","IM2391","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","(E)-N'-(5-Bromo-2-hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide","Acta Crystallographica Section E","2012","68","8","o2364","o2365","10.1107/S1600536812030322","","","0.71075","MoKα","","0.1106","0.0887","","","0.226","0.2455","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235869","7.653","0.0006","8.4128","0.0006","8.6286","0.0006","90","","90","","90","","555.54","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-4-fluoroproline","(2S,4R)-4-Fluoropyrrolidinium-2-carboxylate","","- C5 H8 F N O2 -","- C5 H8 F N O2 -","- C20 H32 F4 N4 O8 -","4","1","IM2392","Hobart Jr, David B.; Merola, Joseph S.","(2S,4R)-4-Fluoropyrrolidinium-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2490","","10.1107/S1600536812031741","","","0.71073","MoKα","","0.0492","0.0378","","","0.0694","0.0727","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235870","9.7464","0.0014","12.1633","0.0016","13.5352","0.0018","90","","90","","90","","1604.6","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H24 Br2 -","- C16 H24 Br2 -","- C64 H96 Br8 -","4","1","IM2394","Benharref, Ahmed; El Ammari, Lahcen; Lassaba, Essêdiya; Ourhriss, Najia; Berraho, Moha","(1S,3R,8R)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","8","o2502","","10.1107/S1600536812032333","","","0.71073","MoKα","","0.0929","0.0487","","","0.1114","0.1322","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235871","8.7776","0.0015","8.7959","0.0015","41.737","0.007","90","","90","","90","","3222.4","0.9","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-ethyl-13-hydroxy-14-methyl-2-(3,4,5-trimethoxy-6-methyltetrahydro-2H- pyran-2-yloxy)-3,3a,5b,6,9,10,11,12,13,14,16a,16b-dodecahydro-1H- as-indaceno[3,2-d][1]oxacyclododecine-7,15(2H,5aH)- dione","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","IS5144","Chai, Hongxin; Liu, Mingxing; Zhang, Qi; Shi, Daxin; Li, Jiarong","Pseudoaglycone of Spinosyn A","Acta Crystallographica Section E","2012","68","8","o2488","","10.1107/S1600536812028851","","","0.71073","MoKα","","0.061","0.0525","","","0.1285","0.1339","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235872","10.4378","0.0007","13.911","0.0009","17.542","0.0015","90","","106.146","0.008","90","","2446.6","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-methoxy-3-nitrobenzamido)acetate","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C88 H96 N16 O48 -","8","2","IS5151","Zhu, Xin; Ma, Qiujuan","Methyl 2-(4-methoxy-3-nitrobenzamido)acetate","Acta Crystallographica Section E","2012","68","8","o2343","","10.1107/S1600536812029522","","","1.54184","CuKα","","0.0664","0.052","","","0.1408","0.1546","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235873","20.5577","0.0015","5.5281","0.0003","13.1315","0.0009","90","","118.477","0.009","90","","1311.77","0.19","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(E)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","IS5154","Yu, Hong; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","2-[(E)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol","Acta Crystallographica Section E","2012","68","8","o2401","","10.1107/S1600536812027419","","","0.71073","MoKα","","0.0451","0.0415","","","0.1221","0.1249","","","","","","1.165","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235874","13.3348","0.0002","14.2045","0.0002","15.9132","0.0003","90","","90","","90","","3014.19","0.08","100","1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4- dimethylpyrano[2,3-c]pyrazol-6(1H)-one","","- C15 H9 Cl2 F3 N2 O2 -","- C15 H9 Cl2 F3 N2 O2 -","- C120 H72 Cl16 F24 N16 O16 -","8","1","IS5160","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one","Acta Crystallographica Section E","2012","68","8","o2350","","10.1107/S1600536812029789","","","0.71073","MoKα","","0.0452","0.0364","","","0.0891","0.0957","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235875","11.0365","0.0003","13.4763","0.0003","20.0092","0.0006","90","","90","","90","","2975.99","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C112 H144 N16 O24 S8 -","8","1","IS5161","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2370","","10.1107/S1600536812029996","","","1.54178","CuKα","","0.0499","0.0438","","","0.1206","0.125","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235876","6.4554","0.0003","14.0258","0.0006","20.2264","0.0009","94.61","0.002","95.568","0.003","98.317","0.003","1795.23","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole","","- C20 H25 N3 S -","- C20 H25 N3 S -","- C80 H100 N12 S4 -","4","2","IS5162","Al-Abdullah, Ebtehal S.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","5-(Adamantan-1-yl)-3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","8","o2427","o2428","10.1107/S1600536812030784","","","1.54178","CuKα","","0.0786","0.0519","","","0.1259","0.1426","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235877","7.5539","0.0009","23.332","0.003","13.6027","0.0016","90","","94.275","0.002","90","","2390.8","0.5","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N',N''Z,N',N''E)- N',N''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3- methyl-1-benzofuran-2-carbohydrazide)","","- C28 H21 Cl N4 O4 -","- C28 H21 Cl N4 O4 -","- C112 H84 Cl4 N16 O16 -","4","1","IS5163","Fun, Hoong-Kun; Chia, Tze Shyang; Alafeefy, Ahmed M.; Abdel-Aziz, Hatem A.","(N',N''Z,N',N''E)-N',N''-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3-methyl-1-benzofuran-2-carbohydrazide)","Acta Crystallographica Section E","2012","68","8","o2405","o2406","10.1107/S1600536812030504","","","0.71073","MoKα","","0.0841","0.0482","","","0.1216","0.1438","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235878","5.4406","0.0003","8.5715","0.0004","9.2392","0.0004","104.221","0.002","91.776","0.002","96.362","0.002","414.33","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(3-Chlorophenyl)thiourea","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C14 H14 Cl2 N4 S2 -","2","1","IS5164","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(3-Chlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2423","","10.1107/S160053681203084X","","","0.71073","MoKα","","0.0344","0.031","","","0.0814","0.0846","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235879","12.2913","0.0008","9.9753","0.0008","19.9993","0.0014","90","","100.884","0.004","90","","2408","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E,5E)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C116 H136 N8 O8 -","4","1","IS5165","Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Arshad, Suhana; Razak, Ibrahim Abdul","(3E,5E)-3,5-Bis(4-methylbenzylidene)-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one","Acta Crystallographica Section E","2012","68","8","o2493","o2494","10.1107/S1600536812031820","","","0.71073","MoKα","","0.1671","0.0781","","","0.1856","0.2275","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235880","12.84","0.0002","8.9261","0.0001","17.9634","0.0003","90","","118.476","0.001","90","","1809.72","0.05","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one","","- C22 H22 N2 O S -","- C22 H22 N2 O S -","- C88 H88 N8 O4 S4 -","4","1","IS5168","Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram","(Z)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","8","o2563","o2564","10.1107/S1600536812033211","","","0.71073","MoKα","","0.0682","0.0452","","","0.1027","0.1151","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235881","10.087","0.0011","12.1904","0.0013","16.5045","0.0018","90","","90","","90","","2029.5","0.4","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5-Triphenyl-2H-tetrazol-3-ium bromide ethanol monosolvate","","- C21 H21 Br N4 O -","- C21 H21 Br N4 O -","- C84 H84 Br4 N16 O4 -","4","1","IS5169","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Hefnawy, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2H-tetrazol-3-ium bromide ethanol monosolvate","Acta Crystallographica Section E","2012","68","8","o2566","","10.1107/S1600536812032953","","","0.71073","MoKα","","0.0307","0.0257","","","0.0631","0.0644","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235882","9.8809","0.0001","22.6572","0.0003","16.009","0.0002","90","","110.441","0.001","90","","3358.32","0.07","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5-Triphenyl-2H-tetrazol-3-ium tetraphenylborate","","- C43 H35 B N4 -","- C43 H35 B N4 -","- C172 H140 B4 N16 -","4","1","IS5170","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Hefnawy, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2H-tetrazol-3-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","8","o2567","","10.1107/S1600536812032941","","","0.71073","MoKα","","0.0697","0.0497","","","0.1099","0.1206","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235883","4.9254","0.0003","9.7194","0.0005","14.917","0.0011","90","","108.313","0.003","90","","677.94","0.07","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl 2,2'-(1,4-phenylenedioxy)diacetate","","- C14 H18 O6 -","- C14 H18 O6 -","- C28 H36 O12 -","2","0.5","JJ2131","Husson, Jérôme; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Diethyl 2,2'-(1,4-phenylenedioxy)diacetate","Acta Crystallographica Section E","2012","68","8","o2422","","10.1107/S1600536812030747","","","0.71073","MoKα","","0.0532","0.0453","","","0.1071","0.1138","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235884","8.1253","0.0002","8.6138","0.0002","18.9368","0.0004","90","","90","","90","","1325.38","0.05","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Diazaoctane-1,8-diaminium diiodide","","- C6 H20 I2 N4 -","- C6 H20 I2 N4 -","- C24 H80 I8 N16 -","4","0.5","JJ2132","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","3,6-Diazaoctane-1,8-diaminium diiodide","Acta Crystallographica Section E","2012","68","8","o2387","","10.1107/S1600536812030127","","","0.7107","MoKα","","0.0337","0.0226","","","0.0521","0.0533","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235885","11.5374","0.0004","6.4759","0.0002","15.5264","0.0006","90","","104.207","0.002","90","","1124.58","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Piperazine-1,4-diyl)diethanaminium bis(2-hydroxybenzoate)","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","JJ2133","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","2,2'-(Piperazine-1,4-diyl)diethanaminium bis(2-hydroxybenzoate)","Acta Crystallographica Section E","2012","68","8","o2388","","10.1107/S1600536812030103","","","0.71073","MoKα","","0.0945","0.0503","","","0.1306","0.1469","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235886","19.53","0.0004","6.6694","0.0002","19.6178","0.0004","90","","115.989","0.001","90","","2296.89","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate","","- C22 H32 N4 O4 -","- C22 H32 N4 O4 -","- C88 H128 N16 O16 -","4","1","JJ2134","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","2,2'-(Piperazine-1,4-diyl)diethanaminium dibenzoate","Acta Crystallographica Section E","2012","68","8","o2389","","10.1107/S1600536812030115","","","0.7107","MoKα","","0.054","0.0401","","","0.1058","0.1099","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235887","8.978","0.002","6.415","0.0016","11.354","0.003","90","","101.696","0.003","90","","640.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Oxo-1,6-dihydropyridazine-3-carbaldehyde monohydrate","","- C5 H6 N2 O3 -","- C5 H6 N2 O3 -","- C20 H24 N8 O12 -","4","1","JJ2141","Wang, Lei","6-Oxo-1,6-dihydropyridazine-3-carbaldehyde monohydrate","Acta Crystallographica Section E","2012","68","8","o2483","","10.1107/S1600536812031674","","","0.71073","MoKα","","0.0711","0.0509","","","0.1409","0.1591","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235888","8.476","0.0017","5.927","0.0012","24.996","0.005","90","","94.77","0.03","90","","1251.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phenyl N-(5-chloro-2-nitrophenyl)carbamate","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C52 H36 Cl4 N8 O16 -","4","1","JJ2143","Zou, Bao-Hua; Fang, Zheng; Zhong, Hui; Kai, Guo; Wei, Ping","Phenyl N-(5-chloro-2-nitrophenyl)carbamate","Acta Crystallographica Section E","2012","68","8","o2547","","10.1107/S1600536812030930","","","0.71073","MoKα","","0.0785","0.0455","","","0.1306","0.1548","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235889","13.344","0.015","10.693","0.014","23.537","0.013","90","","90","","90","","3358","6","193","2","193","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(S,E)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)- 2,3-dihydroquinazolin-4(1H)-one","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","JJ2144","Tinguiano, Daniel; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","(S,E)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-2,3-dihydroquinazolin-4(1H)-one","Acta Crystallographica Section E","2012","68","8","o2374","o2375","10.1107/S1600536812030012","","","1.54187","CuKα","","0.0382","0.0353","","","0.0944","0.0983","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235890","15.6093","0.0006","10.7114","0.0004","21.0045","0.0009","90","","106.896","0.002","90","","3360.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-[Bis(morpholin-4-yl)phosphinoyl]-4-fluorobenzamide","","- C15 H21 F N3 O4 P -","- C15 H21 F N3 O4 P -","- C120 H168 F8 N24 O32 P8 -","8","2","JJ2145","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Keikha, Mojtaba; Rheingold, Arnold L.; Golen, James A.","A second monoclinic polymorph of N-[bis(morpholin-4-yl)phosphinoyl]-4-fluorobenzamide with the P2~1~/n space group","Acta Crystallographica Section E","2012","68","8","o2444","","10.1107/S1600536812031418","","","0.71073","MoKα","","0.0752","0.0558","","","0.1457","0.1595","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235891","9.8704","0.0011","12.6776","0.0011","15.6472","0.0014","90.735","0.007","98.213","0.009","108.187","0.009","1837.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2-[Bis(benzoyl)amino]-1,4-naphthoquinone","N-Benzoyl-N-(1,4-dioxonaphthalen-2-yl)benzamide","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","2","JJ2146","Brandy, Yakini; Butcher, Ray J.; Bakare, Oladapo","N-Benzoyl-N-(1,4-dioxonaphthalen-2-yl)benzamide","Acta Crystallographica Section E","2012","68","8","o2379","","10.1107/S1600536812030231","","","0.71073","MoKα","","0.1044","0.0696","","","0.2017","0.2205","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235892","11.4017","0.0007","13.173","0.0005","19.1961","0.0009","90","","104.438","0.006","90","","2792.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Butyl-4-butylimino-2-methylpentan-2-aminium (E)-quercetinate","N-Butyl-4-butylimino-2-methylpentan-2-aminium 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-1-benzopyran-7-olate","","- C29 H40 N2 O7 -","- C29 H40 N2 O7 -","- C116 H160 N8 O28 -","4","1","KJ2204","Grosu, Ioana-Georgeta; Borodi, Gheorghe; Pop, Mihaela Maria","N-Butyl-4-butylimino-2-methylpentan-2-aminium (E)-quercetinate","Acta Crystallographica Section E","2012","68","8","o2450","","10.1107/S1600536812031170","","","0.7107","MoKα","","0.0843","0.0646","","","0.2178","0.2328","","","","","","1.566","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235893","15.1054","0.0006","14.6407","0.0006","14.2267","0.0006","90","","96.997","0.002","90","","3122.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine- κN^1^)iron(II) tetrafluoridoborate","","- C13 H17 B F4 Fe N4 O2 -","- C13 H17 B F4 Fe N4 O2 -","- C104 H136 B8 F32 Fe8 N32 O16 -","8","2","KJ2206","M'thiruaine, Cyprian M.; Friedrich, Holger B.; Omondi, Bernard","Dicarbonyl(η^5^-cyclopentadienyl)(hexamethylenetetramine-κN^1^)iron(II) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","8","m1077","","10.1107/S1600536812031649","","","0.71073","MoKα","","0.0418","0.0342","","","0.0874","0.0915","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235894","6.426","0.0007","36.908","0.004","6.6821","0.0007","90","","100.464","0.002","90","","1558.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Difluorophenyl)thiourea","","- C7 H6 F2 N2 S -","- C7 H6 F2 N2 S -","- C56 H48 F16 N16 S8 -","8","2","KJ2208","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","1-(2,4-Difluorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2460","","10.1107/S1600536812031625","","","0.71073","MoKα","","0.0407","0.0325","","","0.0721","0.0774","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235895","13.185","0.004","9.189","0.003","13.287","0.004","90","","109.04","0.03","90","","1521.7","0.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Carboxyphenylboronic acid‒theophylline (1/1)","3-(Dihydroxyboranyl)benzoic acid‒1,3-dimethyl-7H-purine-2,6-dione (1/1)","","- C14 H15 B N4 O6 -","- C14 H15 B N4 O6 -","- C56 H60 B4 N16 O24 -","4","1","KP2425","Dyulgerov, Ventsi; Nikolova, Rositsa P.; Dimova, Louiza T.; Shivachev, Boris L.","3-Carboxyphenylboronic acid‒theophylline (1/1)","Acta Crystallographica Section E","2012","68","8","o2320","","10.1107/S1600536812029467","","","0.71073","MoKα","","0.0825","0.0496","","","0.1275","0.145","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235896","9.276","0.0002","13.999","0.0003","8.397","0.0002","90","","97.448","0.002","90","","1081.19","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide","","- C9 H10 Cl N3 S -","- C9 H10 Cl N3 S -","- C36 H40 Cl4 N12 S4 -","4","1","KP2427","Mendoza-Meroño, Rafael; García-Granda, Santiago","(E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide","Acta Crystallographica Section E","2012","68","8","o2309","","10.1107/S1600536812029133","","","1.5418","CuKα","","0.0399","0.0365","","","0.0996","0.1039","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235897","7.275","0.0015","7.9108","0.0016","12.966","0.003","77.91","0.03","84.59","0.03","67.23","0.03","672.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~3~-pyrimidine-4-carboxylato)bis(μ~2~-pyrimidine-4- carboxylato)tetrakis(aqualithium)","","- C20 H20 Li4 N8 O12 -","- C20 H20 Li4 N8 O12 -","- C20 H20 Li4 N8 O12 -","1","0.5","KP2430","Starosta, Wojciech; Leciejewicz, Janusz","Bis(μ~3~-pyrimidine-4-carboxylato)bis(μ~2~-pyrimidine-4-carboxylato)tetrakis(aqualithium)","Acta Crystallographica Section E","2012","68","8","m1065","m1066","10.1107/S160053681203142X","","","0.71073","MoKα","","0.092","0.0444","","","0.131","0.1644","","","","","","1.069","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235898","6.4976","0.0006","13.3343","0.0016","15.7648","0.0014","90","","90","","90","","1365.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-Methyl-5-[(R)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","","- C11 H14 Cl4 O -","- C11 H14 Cl4 O -","- C44 H56 Cl16 O4 -","4","1","KP2431","Boualy, Brahim; Harrad, Mohamed Anouar; El Firdoussi, Larbi; Ali, Mustapha Ait; Stoeckli-Evans, Helen","(R)-2-Methyl-5-[(R)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","Acta Crystallographica Section E","2012","68","8","o2451","o2452","10.1107/S1600536812031194","","","0.71073","MoKα","","0.0486","0.0285","","","0.0585","0.063","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235899","13.0488","0.0004","11.1874","0.0003","9.9295","0.0003","90","","105.709","0.002","90","","1395.39","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15.006 H10 Br F O2 S -","- C60.024 H40 Br4 F4 O8 S4 -","4","1","KP2435","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2491","","10.1107/S1600536812032394","","","0.71073","MoKα","","0.0696","0.0433","","","0.1025","0.1153","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235900","17.628","0.003","5.2641","0.0009","16.062","0.003","90","","100.528","0.002","90","","1465.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate","","- C19 H14 F N O2 -","- C19 H14 F N O2 -","- C76 H56 F4 N4 O8 -","4","1","LD2060","Huo, Yan-Ping; Nie, Xiao-Li; Fang, Xiao-Ming","(E)-2-[2-(3-Fluorophenyl)ethenyl]quinolin-8-yl acetate","Acta Crystallographica Section E","2012","68","8","o2420","","10.1107/S1600536812030255","","","0.71073","MoKα","","0.0512","0.0436","","","0.1255","0.1343","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235901","15.4948","0.0003","16.1272","0.0003","22.443","0.0004","90","","90","","90","","5608.23","0.18","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxymethyl-10-methoxy-17,22- dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta- 1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","","- C33 H32 O7 -","- C33 H32 O7 -","- C264 H256 O56 -","8","1","LD2069","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","8","o2598","o2599","10.1107/S1600536812033521","","","1.54187","CuKα","","0.0381","0.0365","","","0.0967","0.098","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235902","7.8335","0.0006","10.9081","0.0008","13.8067","0.001","68.999","0.001","84.952","0.001","83.355","0.001","1092.62","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]‒ 1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)","","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","1","0.5","LH5483","Yang, Pan; Ding, Bin; Du, Gui-Xiang","The triclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]‒1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)","Acta Crystallographica Section E","2012","68","8","m1038","m1039","10.1107/S1600536812026141","","","0.71073","MoKα","","0.0348","0.0307","","","0.0743","0.077","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235903","6.85562","0.0001","12.12898","0.00016","17.0304","0.0002","90","","94.2306","0.0013","90","","1412.25","0.03","136","7","136","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-g]quinoline-6-carboxylate","","- C18 H11 F N2 O4 -","- C18 H11 F N2 O4 -","- C72 H44 F4 N8 O16 -","4","1","LH5489","Zhang, Da-Li; Zhang, Li-Ping; Yao, Jia; Wu, Xi-Wei; An, Lin-Kun","Ethyl 9-fluoro-5,12-dioxo-5,12-dihydroindolizino[2,3-g]quinoline-6-carboxylate","Acta Crystallographica Section E","2012","68","8","o2548","","10.1107/S160053681202692X","","","1.5418","CuKα","","0.0487","0.0372","","","0.0876","0.1007","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235904","13.2007","0.0003","13.8024","0.0003","16.2009","0.0003","80.811","0.001","71.012","0.001","88.538","0.001","2754.28","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[2,6-bis(1-methyl-1H-benzimidazol-2-yl-κN^3^)pyridine- κN]zinc dipicrate methanol disolvate","","- C56 H46 N16 O16 Zn -","- C56 H46 N16 O16 Zn -","- C112 H92 N32 O32 Zn2 -","2","1","LH5492","Fan, Xuyang; Yuan, Jingkun; Bai, Ying; Kong, Jin; Wu, Huilu","Bis[2,6-bis(1-methyl-1H-benzimidazol-2-yl-κN^3^)pyridine-κN]zinc dipicrate methanol disolvate","Acta Crystallographica Section E","2012","68","8","m1072","","10.1107/S1600536812031443","","","0.71073","MoKα","","0.0448","0.0392","","","0.1044","0.1106","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235905","10.7244","0.0005","4.6021","0.0002","11.128","0.0005","90","","100.367","0.002","90","","540.25","0.04","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-[(E)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C24 H16 N4 S4 -","2","1","LH5495","Booysen, Irvin N.; Ismail, Muhammed B.; Akerman, Matthew P.","N-[(E)-Thiophen-2-ylmethylidene]-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","8","o2489","","10.1107/S1600536812030498","","","0.71073","MoKα","","0.0375","0.0333","","","0.082","0.0847","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235906","8.0907","0.0002","18.523","0.0004","21.1162","0.0004","90","","96.674","0.002","90","","3143.11","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1:2κ^5^O^1^,O^6^:N,N',O^1^}{2-[(3-amino- 2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^N,N', O^1^}-μ-azido-1:2κ^2^N:N-azido-2κN- methanol-2κO-dinickel(II)","","- C27 H42 N10 Ni2 O5 -","- C27 H42 N10 Ni2 O5 -","- C108 H168 N40 Ni8 O20 -","4","1","LH5496","Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.","{μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ^5^O^1^,O^6^:N,N',O^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^N,N',O^1^}-μ-azido-1:2κ^2^N:N-azido-2κN-methanol-2κO-dinickel(II)","Acta Crystallographica Section E","2012","68","8","m1027","m1028","10.1107/S1600536812029662","","","0.71073","MoKα","","0.0414","0.0314","","","0.0704","0.0755","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235907","6.2808","0.0014","8.63","0.002","9.389","0.002","88.603","0.006","83.638","0.005","69.088","0.005","472.4","0.18","92","2","92","2","","","","","","","","3","P -1","-P 1","2","","6-Hydroxy-7,8-dimethylchroman-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","LH5497","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","6-Hydroxy-7,8-dimethylchroman-2-one","Acta Crystallographica Section E","2012","68","8","o2332","o2333","10.1107/S1600536812029704","","","0.71073","MoKα","","0.0755","0.0648","","","0.1796","0.1877","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235908","13.7293","0.0012","45.892","0.004","14.8108","0.0013","90","","92.828","0.001","90","","9320.4","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato- κ^2^N,O]cobalt(III)","","- C27 H24 Cl6 Co N3 O3 -","- C27 H24 Cl6 Co N3 O3 -","- C324 H288 Cl72 Co12 N36 O36 -","12","3","LH5498","Huang, Qiu Ping; Guo, Jing Jing; Zhang, Yi Dong; Zhang, Shu Hua","Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^N,O]cobalt(III)","Acta Crystallographica Section E","2012","68","8","m1047","","10.1107/S160053681203067X","","","0.71073","MoKα","","0.1179","0.0609","","","0.1432","0.1711","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235909","21.4015","0.0006","20.7277","0.0004","7.6975","0.0002","90","","109.103","0.003","90","","3226.6","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","LH5499","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","Acta Crystallographica Section E","2012","68","8","o2426","","10.1107/S160053681203070X","","","0.71073","MoKα","","0.0542","0.04","","","0.0958","0.1051","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235910","9.1674","0.0002","5.7551","0.0001","13.1112","0.0003","90","","106.954","0.0008","90","","661.67","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-3,5-dideoxy-3,5-imino-1,2-O-isopropylidene- β-L-lyxofuranose","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","LH5500","Edgeley, David S.; Jenkinson, Sarah F.; Lenagh-Snow, Gabriel; Rutherford, Catherine; Fleet, George W. J.; Thompson, Amber L.","N-Benzyl-3,5-dideoxy-3,5-imino-1,2-O-isopropylidene-β-L-lyxofuranose","Acta Crystallographica Section E","2012","68","8","o2410","","10.1107/S1600536812030656","","","0.71073","MoKα","","0.0354","0.0333","","0.0872","0.0839","0.0872","","","","","","0.9426","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235911","11.2483","0.0003","12.2309","0.0003","12.7494","0.0003","90","","91.936","0.001","90","","1753.02","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-Dimethoxy-1-(2-naphthoyl)naphthalene","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","LH5502","Tsumuki, Takehiro; Isogai, Atsumi; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","2,7-Dimethoxy-1-(2-naphthoyl)naphthalene","Acta Crystallographica Section E","2012","68","8","o2595","","10.1107/S1600536812033545","","","1.54187","CuKα","","0.0524","0.0428","","","0.1156","0.126","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235912","9.4622","0.0003","16.882","0.0005","10.8301","0.0004","90","","111.842","0.004","90","","1605.82","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,8-tetrahydro- 4H-chromene-3-carbonitrile","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","LH5503","Anthal, Sumati; Brahmachari, Goutam; Laskar, Sujay; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","2-Amino-7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2592","o2593","10.1107/S1600536812033570","","","0.71073","MoKα","","0.063","0.0456","","","0.1048","0.1147","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235913","9.4213","0.0012","9.5718","0.0013","11.4392","0.0015","74.478","0.01","78.635","0.01","73.339","0.01","944.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","[Bis(5-chlorosalicylidene)-2,2-dimethyl-1,3-propane]copper(II)","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C38 H36 Cl4 Cu2 N4 O4 -","2","1","LH5504","Kargar, Hadi; Kia, Reza; Ganji, Fatemeh; Mirkhani, Valiollah","{4,4'-Dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","8","m1135","","10.1107/S1600536812033491","","","0.71073","MoKα","","0.0607","0.0417","","","0.0913","0.0975","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235914","8.8125","0.0005","12.5907","0.0007","21.9393","0.0011","90","","90","","90","","2434.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Andirobin","methyl 2-{(1R,2R)-2-[(1aS,4S,4aS,8aS)- 4-(furan-3-yl)-4a-methyl-8-methylene-2- oxooctahydrooxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl- 5-oxocyclohex-3-en-1-yl}acetate","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","LR2061","Jittaniyom, Chutima; Sommit, Damrong; Muangsin, Nongnuj; Pudhom, Khanitha","Andirobin from X. moluccensis","Acta Crystallographica Section E","2012","68","8","o2550","o2551","10.1107/S1600536812027705","","","0.71073","MoKα","","0.0491","0.0411","","","0.1098","0.1167","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235915","5.0755","0.0002","12.5088","0.0006","13.3304","0.0005","90.562","0.003","95.711","0.003","94.378","0.002","839.54","0.06","295","2","295","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3-phenylthioureido)-5,6-dihydro-4H- cyclopenta[b]thiophene-3-carboxylate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C34 H36 N4 O4 S4 -","2","1","LR2068","de Oliveira, Jaismary G. B.; Mendonça Junior, Francisco J. B.; do Lima, Maria; de Simone, Carlos A.; Ellena, Javier A.","Ethyl 2-(3-phenylthioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2360","","10.1107/S1600536812029893","","","0.71073","MoKα","","0.0672","0.0445","","","0.1108","0.1287","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235916","13.6069","0.0003","15.2763","0.0003","11.2778","0.0002","90","","104.094","0.002","90","","2273.67","0.08","285.4","","285.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone","","- C26 H22 N4 S -","- C26 H22 N4 S -","- C104 H88 N16 S4 -","4","1","LR2069","Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; García-Granda, Santiago","4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone","Acta Crystallographica Section E","2012","68","8","o2402","o2403","10.1107/S160053681203053X","","","1.5418","CuKα","","0.0643","0.0491","","","0.1335","0.149","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235917","7.721","0.007","9.444","0.009","9.726","0.009","86.669","0.008","74.69","0.008","69.995","0.007","642.3","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Phenylsulfonyl)naphthalene","","- C16 H12 O2 S -","- C16 H12 O2 S -","- C32 H24 O4 S2 -","2","1","LR2072","Fu, Ying; Zhu, Wenbo; Hou, Hongxia; He, Yinxia; Li, Hulin","1-(Phenylsulfonyl)naphthalene","Acta Crystallographica Section E","2012","68","8","o2434","","10.1107/S1600536812030929","","","0.71073","MoKα","","0.0473","0.0376","","","0.0901","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235918","7.9266","0.0004","14.6911","0.0007","10.5309","0.0005","90","","107.262","0.002","90","","1171.09","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Diiodido(N,N,N',N'-\ tetramethylethylenediamine-κ^2^N,N')palladium(II)","","- C6 H16 I2 N2 Pd -","- C6 H16 I2 N2 Pd -","- C24 H64 I8 N8 Pd4 -","4","0.5","LR2073","Abellán-López, Antonio; Chicote-Olalla, María Teresa; Bautista-Cerezo, Delia","cis-Diiodido(N,N,N',N'-tetramethylethylenediamine-κ^2^N,N')palladium(II)","Acta Crystallographica Section E","2012","68","8","m1129","","10.1107/S1600536812033004","","","0.71073","MoKα","","0.024","0.0232","","","0.0592","0.0597","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235919","15.8861","0.0013","7.4891","0.0006","17.1018","0.0018","90","","117.45","0.005","90","","1805.6","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","bis(2-bromoethyl)ammonium bromide","","- C4 H10 Br3 N -","- C4 H10 Br3 N -","- C32 H80 Br24 N8 -","8","4","LR2074","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; de Sousa, Alvaro S.","Bis(2-bromoethyl)ammonium bromide","Acta Crystallographica Section E","2012","68","8","o2570","o2571","10.1107/S1600536812033417","","","0.71073","MoKα","","0.1492","0.1073","","","0.2555","0.2846","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235920","7.622","0.002","12.871","0.004","16.928","0.005","93.831","0.003","100.158","0.003","93.456","0.003","1626.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-benzyloxy-7-methoxy-1-methyl-1H-indole-2-carboxylate","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","2","LX2234","Wang, Peng; Xing, Hualu; Liu, Yang; Xie, Wencheng; Zhao, Guisen","Methyl 4-benzyloxy-7-methoxy-1-methyl-1H-indole-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2480","","10.1107/S1600536812031236","","","0.71069","MoKα","","0.0652","0.0441","","","0.1195","0.1339","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235921","14.8492","0.0008","10.2284","0.0005","10.1314","0.0006","90","","107.131","0.006","90","","1470.52","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzylimidazolidine-2-thione","","- C17 H18 N2 S -","- C17 H18 N2 S -","- C68 H72 N8 S4 -","4","1","LX2257","Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw; Becker, Barbara","1,3-Dibenzylimidazolidine-2-thione","Acta Crystallographica Section E","2012","68","8","o2521","","10.1107/S1600536812032655","","","0.71073","MoKα","","0.0521","0.0368","","","0.0869","0.0915","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235922","6.7946","0.0005","24.753","0.002","7.5277","0.0007","90","","114.433","0.001","90","","1152.68","0.17","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-Methyl-1H-imidazol-3-ium-2-yl)(phenyl)phosphinate monohydrate","","- C10 H13 N2 O3 P -","- C10 H13 N2 O3 P -","- C40 H52 N8 O12 P4 -","4","1","MW2070","Sun, Yong-Ming; Yang, Meng; Zhao, Chang-Qiu","(1-Methyl-1H-imidazol-3-ium-2-yl)(phenyl)phosphinate monohydrate","Acta Crystallographica Section E","2012","68","8","o2330","","10.1107/S1600536812028255","","","0.71073","MoKα","","0.1024","0.054","","","0.1286","0.1537","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235923","12.4362","0.0007","13.8189","0.0008","7.2376","0.0004","90","","105.784","0.006","90","","1196.92","0.12","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione","","- C15 H10 F N O3 -","- C15 H10 F N O3 -","- C60 H40 F4 N4 O12 -","4","1","MW2073","Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Gümüş, Sümeyye; Aygün, Muhittin","2-(2-Fluoro-4-hydroxybenzyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2012","68","8","o2478","","10.1107/S1600536812029923","","","0.71073","MoKα","","0.1083","0.0568","","","0.1172","0.1414","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235924","7.595","0.0015","12.822","0.003","17.34","0.004","90","","90","","90","","1688.6","0.6","295","2","295","2","","","","","","","","4","P b c m","-P 2c 2b","57","","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","0.5","MW2074","Xu, Wei; Qi, Jin-Li","4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate","Acta Crystallographica Section E","2012","68","8","o2319","","10.1107/S1600536812029339","","","0.71073","MoKα","","0.0616","0.0416","","","0.1022","0.1182","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235925","7.9225","0.0006","10.1226","0.0008","10.3927","0.0007","103.2","0.006","103.304","0.006","109.462","0.007","721.25","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-[1-(1-Oxoindan-2-yl)ethyl]indan-1-one","","- C20 H18 O2 -","- C20 H18 O2 -","- C40 H36 O4 -","2","1","MW2075","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[1-(1-Oxoindan-2-yl)ethyl]indan-1-one","Acta Crystallographica Section E","2012","68","8","o2314","","10.1107/S1600536812029315","","","0.71073","MoKα","","0.0607","0.0476","","","0.1202","0.1297","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235926","21.828","0.002","7.062","0.0009","11.3229","0.0013","90","","96.515","0.01","90","","1734.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[5-(pyridin-4-yl)tetrazolido N^5^-oxide-κN^2^]manganese(II)","","- C12 H16 Mn N10 O6 -","- C12 H16 Mn N10 O6 -","- C48 H64 Mn4 N40 O24 -","4","0.5","NC2281","Jing, Xiang; Luo, Ya","Tetraaquabis[5-(pyridin-4-yl)tetrazolido N^5^-oxide-κN^2^]manganese(II)","Acta Crystallographica Section E","2012","68","8","m1130","","10.1107/S1600536812032618","","","0.71073","MoKα","","0.058","0.0366","","","0.0701","0.0798","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235927","5.7065","0.0002","9.0632","0.0003","10.7109","0.0004","71.309","0.001","76.318","0.001","86.42","0.001","509.8","0.03","100","1","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-Ethyl-2-[(E)-3-(hydroxyimino)butan-2- ylidene]hydrazinecarbothioamide","","- C7 H14 N4 O S -","- C7 H14 N4 O S -","- C14 H28 N8 O2 S2 -","2","1","NG5276","Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun","(E)-N-Ethyl-2-[(E)-3-(hydroxyimino)butan-2-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","8","o2552","","10.1107/S1600536812028632","","","0.71073","MoKα","","0.0361","0.0317","","","0.0895","0.0933","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235928","11.6191","0.0006","15.1164","0.0008","13.4526","0.0007","90","","105.387","0.001","90","","2278.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Bis(nitrato-κO)bis(1,10-phenanthroline- κ^2^N,N')manganese(II)","","- C24 H16 Mn N6 O6 -","- C24 H16 Mn N6 O6 -","- C96 H64 Mn4 N24 O24 -","4","0.5","NG5277","Saphu, Watcharin; Chanthee, Songwuit; Chainok, Kittipong; Harding, David J.; Pakawatchai, Chaveng","trans-Bis(nitrato-κO)bis(1,10-phenanthroline-κ^2^N,N')manganese(II)","Acta Crystallographica Section E","2012","68","8","m1026","","10.1107/S1600536812029364","","","0.71073","MoKα","","0.054","0.0445","","","0.0967","0.1011","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235929","10.9026","0.0004","17.8127","0.0006","8.4221","0.0002","90","","109.561","0.004","90","","1541.21","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","","- C16 H16 Cl2 O2 -","- C16 H16 Cl2 O2 -","- C64 H64 Cl8 O8 -","4","1","NG5278","Trad, Hager; Majdoub, Mustapha; Belkhiria, Mohamed Salah","1-Benzyloxy-2,5-bis(chloromethyl)-4-methoxybenzene","Acta Crystallographica Section E","2012","68","8","o2339","","10.1107/S1600536812029558","","","0.71073","MoKα","","0.1401","0.0492","","","0.1296","0.166","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235930","6.8274","0.0009","15.5666","0.0012","9.9045","0.001","90","","113.202","0.003","90","","967.51","0.18","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-Nitro-2-(2-nitroprop-1-enyl)benzene","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","NG5280","Shen, Li-Li; Li, Zhao-Bo; Li, Jia-Jia","(E)-1-Nitro-2-(2-nitroprop-1-enyl)benzene","Acta Crystallographica Section E","2012","68","8","o2359","","10.1107/S1600536812029947","","","0.71073","MoKα","","0.0788","0.0589","","","0.1222","0.135","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235931","6.9593","0.0005","10.756","0.0008","20.8431","0.0014","90","","90","","90","","1560.19","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","","- C12 H16 N2 O6 S -","- C12 H16 N2 O6 S -","- C48 H64 N8 O24 S4 -","4","1","NG5283","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","Acta Crystallographica Section E","2012","68","8","o2573","","10.1107/S1600536812033260","","","0.71073","MoKα","","0.0667","0.0428","","","0.0828","0.0897","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235932","7.2372","0.0002","8.3977","0.0003","15.7467","0.0006","101.227","0.002","98.427","0.002","103.768","0.001","892.85","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N-[(2Z,4Z)-4-Benzylidene-6-chloro-1,4- dihydropyrido[2,3-d][1,3]thiazin-2-ylidene]benzamide","","- C21 H14 Cl N3 O S -","- C21 H14 Cl N3 O S -","- C42 H28 Cl2 N6 O2 S2 -","2","1","NK2159","Fernandes, Manuel A.; Levendis, Demetrius C.; Reid, David H.","N-[(2Z,4Z)-4-Benzylidene-6-chloro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-ylidene]benzamide","Acta Crystallographica Section E","2012","68","8","o2346","","10.1107/S1600536812029741","","","0.71073","MoKα","","","0.0279","","","","0.0768","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235933","11.923","0.002","10.992","0.002","18.275","0.004","90","","100.11","0.03","90","","2357.9","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridine-κ^2^N,N')bis(4-formylbenzoato- κO^1^)copper(II)","","- C26 H18 Cu N2 O6 -","- C26 H18 Cu N2 O6 -","- C104 H72 Cu4 N8 O24 -","4","0.5","NK2165","Qi, Jin-li; Xu, Wei","(2,2'-Bipyridine-κ^2^N,N')bis(4-formylbenzoato-κO^1^)copper(II)","Acta Crystallographica Section E","2012","68","8","m1062","m1063","10.1107/S1600536812031066","","","0.71073","MoKα","","0.101","0.0582","","","0.1243","0.1462","","","","","","1.226","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235934","15.182","0.003","13.803","0.003","12.159","0.002","90","","120.06","0.03","90","","2205.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate","","- C11 H9 F2 N2 O2.5 -","- C11 H9 F2 N2 O2.5 -","- C88 H72 F16 N16 O20 -","8","1","NK2167","Yu, Jian-Guang; Zhu, Hai-Xi; Qiu, Jiang-Kai; Wang, De-Cai; Xu, Hong","N-(2,4-Difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide hemihydrate","Acta Crystallographica Section E","2012","68","8","o2325","","10.1107/S1600536812029431","","","0.71073","MoKα","","0.0686","0.0495","","","0.1167","0.1299","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235935","13.555","0.005","11.711","0.005","14.213","0.005","90","","93.427","0.005","90","","2252.2","1.5","200","0.1","200","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","gallic acid-4,4'-trans-azo-dipyridine methanol solvate","1,2-Bis(pyridin-4-yl)diazene‒3,4,5-trihydroxybenzoic acid‒methanol (3/2/2)","","- C46 H44 N12 O12 -","- C46 H44 N12 O12 -","- C92 H88 N24 O24 -","2","0.5","NK2169","Rusu, Elena; Shova, Sergiu; Rusu, Gheorghe","1,2-Bis(pyridin-4-yl)diazene‒3,4,5-trihydroxybenzoic acid‒methanol (3/2/2)","Acta Crystallographica Section E","2012","68","8","o2436","","10.1107/S1600536812031029","","","0.7107","MoKα","","0.0859","0.0549","","","0.1103","0.1243","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235936","5.9026","0.0007","14.2199","0.0016","14.6772","0.0017","69.654","0.002","84.231","0.002","81.28","0.002","1140.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-(4-Methylphenyl)-1-(pyridin-3-yl)prop-2-en-1-one","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","2","NK2177","de Sousa Oliveiria, Mauricio; Costa de Souza, Wanderson; Napolitano, Hamilton B.; Oliver, Allen G.","(2E)-3-(4-Methylphenyl)-1-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","8","o2585","","10.1107/S1600536812032746","","","0.71073","MoKα","","0.0586","0.0409","","","0.0951","0.1046","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235937","12.1774","0.0003","9.7928","0.0003","13.4921","0.0004","90","","115.476","0.0012","90","","1452.49","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-nitrobenzoate","","- C13 H16 B N O6 -","- C13 H16 B N O6 -","- C52 H64 B4 N4 O24 -","4","1","PK2392","Jenkinson, S. F.; Thompson, A. L.; Simone, M. I.","Methyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-nitrobenzoate","Acta Crystallographica Section E","2012","68","8","o2429","o2430","10.1107/S1600536812029650","","","0.71073","MoKα","","0.077","0.0444","","0.1136","0.0998","0.1136","","","","","","0.9189","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2235938","7.828","0.002","14.198","0.004","19.846","0.005","90","","97.212","0.004","90","","2188.3","1","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]‒ 1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)","","- C34 H36 Fe2 N22 O6 S4 -","- C34 H36 Fe2 N22 O6 S4 -","- C68 H72 Fe4 N44 O12 S8 -","2","0.5","PK2413","Liu, Yuan-Yuan; Yang, Pan; Ding, Bin","The monoclinic form of di-μ-aqua-bis[diaquabis(thiocyanato-κN)iron(II)]‒1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)","Acta Crystallographica Section E","2012","68","8","m1036","m1037","10.1107/S160053681202613X","","","0.71073","MoKα","","0.0711","0.0498","","","0.1182","0.1322","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235939","7.9733","0.001","20.738","0.003","8.2987","0.0011","90","","91.35","0.002","90","","1371.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato)- κ^4^N^3^,O^4^:N^3'^,O^4'^](pyridine- κN)cobalt(II)‒4,4'-bipyridine (1/1)","","- C28 H24 Co N7 O9 -","- C28 H24 Co N7 O9 -","- C56 H48 Co2 N14 O18 -","2","0.5","PK2422","Liu, Wei; Li, Xia","Aqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato)-κ^4^N^3^,O^4^:N^3'^,O^4'^](pyridine-κN)cobalt(II)‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2012","68","8","m1109","m1110","10.1107/S1600536812029856","","","0.71073","MoKα","","0.0617","0.0426","","","0.0958","0.1053","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235940","7.8524","0.0016","15.345","0.003","18.778","0.004","90","","99.72","0.03","90","","2230.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato]","","- C26 H16 Co N2 O5 -","- C26 H16 Co N2 O5 -","- C104 H64 Co4 N8 O20 -","4","1","PK2423","Guo, Hai-Kang; Fu, Feng; Tang, Long; Hou, Xiang-Yang; Cao, Jia","catena-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato]","Acta Crystallographica Section E","2012","68","8","m1078","","10.1107/S1600536812031534","","","0.71073","MoKα","","0.1098","0.0727","","","0.1248","0.1405","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235941","5.885","0.0012","21.955","0.004","10.307","0.002","90","","104.5","0.03","90","","1289.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","","- C12 H13 Cl F3 N O -","- C12 H13 Cl F3 N O -","- C48 H52 Cl4 F12 N4 O4 -","4","1","PK2427","Zhou, Yu; Ren, Lili; Lu, Yongyu; Zhang, Feng; Chen, Guoguang","N-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","8","o2534","","10.1107/S1600536812031650","","","0.71073","MoKα","","0.1053","0.0613","","","0.1567","0.1919","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235942","9.7309","0.0008","14.0994","0.0011","14.6","0.0011","90","","90","","90","","2003.1","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[(1R,2S,4R,8R,9S,11R)-2,9- dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","","- C12 H36 Cl2 N4 Ni O4 -","- C12 H36 Cl2 N4 Ni O4 -","- C48 H144 Cl8 N16 Ni4 O16 -","4","1","PK2429","Townsend, James Alan; Desper, John","Diaqua[(1R,2S,4R,8R,9S,11R)-2,9-dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","8","m1111","m1112","10.1107/S160053681203276X","","","0.71073","MoKα","","0.0393","0.0331","","","0.079","0.0831","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235943","44.115","0.006","7.971","0.0009","15.035","0.004","90","","99.439","0.016","90","","5215.3","1.7","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8-Bis(4-acetoxybenzoyl)-2,7-dimethoxynaphthalene","4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate","","- C30 H24 O8 -","- C30 H24 O8 -","- C240 H192 O64 -","8","1","PK2431","Sasagawa, Kosuke; Hijikata, Daichi; Kusakabe, Taro; Okamoto, Akiko; Yonezawa, Noriyuki","4-{[8-(4-Acetyloxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]carbonyl}phenyl acetate","Acta Crystallographica Section E","2012","68","8","o2503","","10.1107/S160053681203228X","","","1.54178","CuKα","","0.0593","0.0407","","","0.0994","0.1269","","","","","","1.112","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235944","7.2772","0.0002","11.0972","0.0003","16.5625","0.0005","90","","100.698","0.002","90","","1314.28","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluoro-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C15 H10 F2 O3 S -","- C14.994 H10 F2 O3 S -","- C59.976 H40 F8 O12 S4 -","4","1","PK2432","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2477","","10.1107/S1600536812031972","","","0.71073","MoKα","","0.0457","0.0373","","","0.0988","0.1043","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235945","6.5692","0.0003","11.4323","0.0004","17.5552","0.0009","90","","97.798","0.004","90","","1306.22","0.1","120","0.14","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(4-Bromophenyl)iminomethyl]-2-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","PK2433","Fejfarová, Karla; Dušek, Michal; Maghsodlou Rad, Sepideh; Khalaji, Aliakbar Dehno","(E)-4-[(4-Bromophenyl)iminomethyl]-2-methoxyphenol","Acta Crystallographica Section E","2012","68","8","o2466","","10.1107/S1600536812031704","","","1.5418","CuKα","","0.0339","0.0279","","","0.0644","0.0667","","","","","","1.65","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235946","16.774","0.003","9.613","0.0019","13.253","0.003","90","","107.05","0.03","90","","2043.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-[4-(Diphenylamino)phenyl]quinoline 1-oxide","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","1","PV2553","Wang, Li-Zhi; Chi, Yun; Li, Xiang-Xiang; Guan, Jian-Ning","6-[4-(Diphenylamino)phenyl]quinoline 1-oxide","Acta Crystallographica Section E","2012","68","8","o2543","","10.1107/S1600536812031662","","","0.71073","MoKα","","0.1026","0.0581","","","0.1359","0.1555","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235947","7.4004","0.0003","22.4857","0.0009","13.4465","0.0005","90","","90","","90","","2237.54","0.15","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","","- C27 H29 F N2 O -","- C27 H29 F N2 O -","- C108 H116 F4 N8 O4 -","4","1","PV2563","Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.","N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine","Acta Crystallographica Section E","2012","68","8","o2312","o2313","10.1107/S1600536812029327","","","0.71073","MoKα","","0.0546","0.0414","","","0.0907","0.1009","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235948","7.7351","0.001","9.5372","0.0013","18.501","0.002","90","","96.052","0.003","90","","1357.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^N,N'}zinc","","- C12 H9 Br2 F N2 Zn -","- C12 H9 Br2 F N2 Zn -","- C48 H36 Br8 F4 N8 Zn4 -","4","1","PV2564","Dehghanpour, Saeed; Mahmoudi, Ali","Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ^2^N,N'}zinc","Acta Crystallographica Section E","2012","68","8","m1113","","10.1107/S1600536812031091","","","0.71073","MoKα","","0.0411","0.0297","","","0.0671","0.0716","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235949","8.588","0.005","20.446","0.005","8.851","0.005","90","0.005","93.282","0.005","90","0.005","1551.6","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol- 5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'H,2H-spiro[acenaphthylene- 1,5'-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxylate","","- C34 H35 N O7 S -","- C34 H35 N O7 S -","- C68 H70 N2 O14 S2 -","2","1","PV2565","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl 7'-(6-benzyloxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetrahydro-1'H,2H-spiro[acenaphthylene-1,5'-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxylate","Acta Crystallographica Section E","2012","68","8","o2505","o2506","10.1107/S1600536812032291","","","0.71073","MoKα","","0.0465","0.0367","","","0.0783","0.0834","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235950","6.7514","0.0005","8.7139","0.0006","11.8309","0.0009","97.221","0.004","102.82","0.004","112.482","0.003","609.73","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H- 1-benzothieno[2,3-d]pyrimidin-3-amine","","- C12 H16 N4 S -","- C12 H16.001 N4 S -","- C24 H32.002 N8 S2 -","2","1","PV2567","Kalashetti, Mallikarjun B.; Fathima, Nikhath; Khan, Ashraf Y.; Begum, Noor Shahina; Khazi, I. M.","4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine","Acta Crystallographica Section E","2012","68","8","o2468","","10.1107/S1600536812031893","","","0.71073","MoKα","","0.0423","0.0382","","","0.1088","0.1124","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235951","6.8638","0.0016","11.566","0.003","15.4","0.003","88.98","0.003","87.517","0.002","76.302","0.002","1186.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Anilinium 3,4-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","2","PV2568","Zhu, Si-Ming","Anilinium 3,4-dihydroxybenzoate","Acta Crystallographica Section E","2012","68","8","o2597","","10.1107/S1600536812032758","","","0.71073","MoKα","","0.0504","0.0389","","","0.1003","0.1087","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235952","8.211","0.0003","9.5965","0.0003","12.0886","0.0005","86.281","0.002","81.514","0.002","81.705","0.002","931.33","0.06","90","0.5","90","0.5","101.3","","","","","","","3","P -1","-P 1","2","","Tetramethyl anthracene-2,3,6,7-tetracarboxylate‒ tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate (1/1)","","- C44 H34 O18 -","- C44 H34 O18 -","- C44 H34 O18 -","1","0.5","PV2569","Drake, Brenton L.; Morris, J. Larry; McLaughlin, Mark L.; Fronczek, Frank R.; Watkins, Steven F.","Tetramethyl anthracene-2,3,6,7-tetracarboxylate‒tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate (1/1)","Acta Crystallographica Section E","2012","68","8","o2540","o2541","10.1107/S1600536812032424","","","0.71073","MoKα","","","0.0519","","","","0.1538","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235953","7.0747","0.001","43.511","0.006","7.5477","0.0009","90","","110.015","0.005","90","","2183.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒N'-[(E)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1)","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C96 H80 N16 O24 -","4","1","QM2075","Mohamed, Shaaban K.; Farrukh, Muhammad Akhyar; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒N'-[(E)-2-methoxybenzylidene]pyridine-4-carbohydrazide (1/1)","Acta Crystallographica Section E","2012","68","8","o2442","","10.1107/S1600536812031388","","","0.71073","MoKα","","0.119","0.0552","","","0.1107","0.1352","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235954","27.4331","0.0015","7.4519","0.0005","9.2598","0.0006","90","","90","","90","","1893","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3- c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide","","- C20 H19 F N4 O3 S -","- C20 H19 F N4 O3 S -","- C80 H76 F4 N16 O12 S4 -","4","1","QM2076","Ahmad, Matloob; Siddiqui, Hamid Latif; Ahmad, Naveed; Aslam, Sana; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2470","o2471","10.1107/S160053681203187X","","","1.54178","CuKα","","0.0585","0.049","","","0.133","0.1461","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235955","9.371","0.003","11.991","0.004","17.653","0.006","94.91","0.011","90.224","0.01","102.128","0.011","1931.7","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-Aminobenzoic acid‒4,4'-bipyridine (2/3)","","- C44 H38 N8 O4 -","- C44 H38 N8 O4 -","- C88 H76 N16 O8 -","2","1","QM2077","Lhengwan, Pornsuda; Achiwawanich, Supakit; Duangthongyou, Tanwawan","3-Aminobenzoic acid‒4,4'-bipyridine (2/3)","Acta Crystallographica Section E","2012","68","8","o2569","","10.1107/S1600536812033181","","","0.71073","MoKα","","0.1123","0.0705","","","0.2173","0.2518","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235956","25.366","0.008","5.8326","0.0014","19.008","0.006","90","","124.136","0.004","90","","2327.7","1.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~- thiophene-2,5-dicarboxylato)dieuropium(III)]","","- C18 H14 Eu2 O16 S3 -","- C18 H14 Eu2 O16 S3 -","- C72 H56 Eu8 O64 S12 -","4","0.5","RK2364","Du, Xi-Gang; Zhang, Jun; Li, Jia-Jia","Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~-thiophene-2,5-dicarboxylato)dieuropium(III)]","Acta Crystallographica Section E","2012","68","8","m1024","","10.1107/S1600536812029546","","","0.71073","MoKα","","0.0539","0.0353","","","0.083","0.0904","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235957","12.685","0.0007","8.6643","0.0005","28.4015","0.0016","90","","97.686","0.001","90","","3093.5","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ~5~-1H-imidazole-4,5-dicarboxylato)(μ~4~-1H- imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]","","- C10 H6 Ag3 N4 O10 Yb -","- C10 H6 Ag3 N4 O10 Yb -","- C80 H48 Ag24 N32 O80 Yb8 -","8","1","RK2366","Zhu, Si-Ming","Poly[diaqua(μ~5~-1H-imidazole-4,5-dicarboxylato)(μ~4~-1H-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]","Acta Crystallographica Section E","2012","68","8","m1073","m1074","10.1107/S1600536812031303","","","0.71073","MoKα","","0.0256","0.0235","","","0.0537","0.0546","","","","","","1.185","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235958","8.008","0.001","8.211","0.001","10.037","0.001","89.39","0.01","77.65","0.01","64.71","0.01","580.47","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-Acetyl-1-(2,6-dimethylphenyl)thiourea","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C22 H28 N4 O2 S2 -","2","1","RK2369","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,6-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2306","","10.1107/S1600536812029248","","","0.71073","MoKα","","0.0565","0.041","","","0.1041","0.1149","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235959","9.6634","0.0006","26.3883","0.0018","11.4375","0.0008","90","","99.614","0.001","90","","2875.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(24-acetyl-28-oxo-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-27-yl)but-2-enedioate","","- C31 H34 N2 O9 -","- C31 H34 N2 O9 -","- C124 H136 N8 O36 -","4","1","RK2370","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","Dimethyl 2-[24-acetyl-28-oxo-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-27-yl]but-2-enedioate","Acta Crystallographica Section E","2012","68","8","o2431","o2432","10.1107/S1600536812030644","","","0.71073","MoKα","","0.0696","0.0451","","","0.0989","0.1107","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235960","7.6841","0.0009","14.943","0.001","9.5358","0.0009","90","","107.49","0.01","90","","1044.31","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-1-(3-methylphenyl)thiourea","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","RK2375","Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha","3-Acetyl-1-(3-methylphenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2574","","10.1107/S1600536812032825","","","0.71073","MoKα","","0.043","0.0351","","","0.0954","0.0995","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235961","3.709","0.0007","15.68","0.003","9.6054","0.0018","90","","99.748","0.003","90","","550.56","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate","","- C10 H12 N6 O2 -","- C10 H12 N6 O2 -","- C20 H24 N12 O4 -","2","0.5","RN2105","Wang, Xiu-Guang; Li, Jian-Hui; Ding, Bin; Du, Gui-Xiang","1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate","Acta Crystallographica Section E","2012","68","8","o2394","","10.1107/S1600536812029273","","","0.71073","MoKα","","0.0623","0.0551","","","0.1252","0.1288","","","","","","1.181","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235962","5.653","0.0008","5.653","0.0008","12.156","0.004","90","","90","","120","","336.42","0.13","293","","293","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Boron carbide","","- C1.99 B12.88 -","- C1.992 B12.878 -","- C5.976 B38.634 -","3","0.0833333","RU2039","Sologub, Oksana; Michiue, Yuichi; Mori, Takao","Boron carbide, B~13-x~C~2-y~ (x = 0.12, y = 0.01)","Acta Crystallographica Section E","2012","68","8","i67","","10.1107/S1600536812033132","","","0.71073","MoKα","","","0.0455","","","","0.1087","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235963","14.546","0.0003","4.9289","0.0001","18.3516","0.0003","90","","120.307","0.001","90","","1135.92","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Methylamino-1,3-thiazol-4-yl)-2H-chromen-2-one","","- C13 H10 N2 O2 S -","- C13 H10 N2 O2 S -","- C52 H40 N8 O8 S4 -","4","1","RZ2775","Yusufzai, Samina Khan; Osman, Hasnah; Rahim, Aisyah Saad Abdul; Arshad, Suhana; Razak, Ibrahim Abdul","3-(2-Methylamino-1,3-thiazol-4-yl)-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","8","o2416","o2417","10.1107/S1600536812030140","","","0.71073","MoKα","","0.0402","0.0337","","","0.0892","0.0948","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235964","6.8501","0.0009","25.594","0.004","15.284","0.002","90","","99.315","0.005","90","","2644.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-1,3-dimethyl-5-[(E)-2- (methylsulfanyl)benzylideneamino]pyrimidine-2,4(1H,3H)-dione‒ 1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone (1/1)","","- C26 H28 N10 O6 S -","- C26 H28 N10 O6 S -","- C104 H112 N40 O24 S4 -","4","1","RZ2778","Booysen, Irvin N.; Ismail, Muhammed B.; Akerman, Matthew P.","6-Amino-1,3-dimethyl-5-[(E)-2-(methylsulfanyl)benzylideneamino]pyrimidine-2,4(1H,3H)-dione‒1,3,7,9-tetramethylpyrimido[5,4-g]pteridine-2,4,6,8-tetrone (1/1)","Acta Crystallographica Section E","2012","68","8","o2334","o2335","10.1107/S1600536812029716","","","0.71073","MoKα","","0.0932","0.0595","","","0.1496","0.1708","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235965","9.8472","0.0008","9.9039","0.0008","11.7974","0.0009","88.49","0.002","67.006","0.002","60.764","0.002","904.64","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro- 1,3-benzothiazole","","- C20 H22 N2 S2 -","- C20 H22 N2 S2 -","- C40 H44 N4 S4 -","2","1","RZ2780","Yousuf, Sammer; Siddiqui, Hina; Farooq, Rabia; Choudhary, M. Iqbal","2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","8","o2349","","10.1107/S1600536812029297","","","0.71073","MoKα","","0.0563","0.0419","","","0.1015","0.1127","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235966","6.7977","0.0005","9.4406","0.0007","12.2691","0.0009","93.846","0.003","96.883","0.003","93.49","0.003","778.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate","","- C16 H18 Cl N3 O2 -","- C16 H18 Cl N3 O2 -","- C32 H36 Cl2 N6 O4 -","2","1","RZ2781","Yang, Luan-Fang; Hou, Hong-Bo; Liu, Yi-Ming","4-(4,5-Dihydro-1H-benzo[g]indazol-3-yl)pyridinium chloride dihydrate","Acta Crystallographica Section E","2012","68","8","o2366","","10.1107/S160053681203019X","","","0.71073","MoKα","","0.0577","0.0451","","","0.1118","0.1191","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235967","7.5889","0.0005","10.367","0.0007","11.4241","0.0011","72.203","0.018","74.4","0.02","68.644","0.019","784.32","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κN]mercury(II)","","- C12 H11 Hg I2 N O3 -","- C12 H11 Hg I2 N O3 -","- C24 H22 Hg2 I4 N2 O6 -","2","1","RZ2782","Wang, Yu-Hong; Zhong, Qin; Song, Rui-Feng","Diiodido[methyl 2-(quinolin-8-yloxy)acetate-κN]mercury(II)","Acta Crystallographica Section E","2012","68","8","m1057","","10.1107/S1600536812031017","","","0.71075","MoKα","","0.0541","0.045","","","0.0952","0.1041","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235968","18.008","0.0003","12.4307","0.0002","25.3332","0.0004","90","","90","","90","","5670.89","0.16","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","","- C38 H24 O6 -","- C38 H24 O6 -","- C304 H192 O48 -","8","1","RZ2784","Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","Acta Crystallographica Section E","2012","68","8","o2454","","10.1107/S1600536812030991","","","1.54187","CuKα","","0.0356","0.0324","","","0.082","0.0842","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235969","8.3472","0.0005","11.2211","0.0007","13.4104","0.0009","90","","90","","90","","1256.08","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-{[(1S,2R)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","RZ2785","Park, Ka Hyun; Go, Min Jeong; Lee, Hwi Hyun; Kim, Sungae; Lee, Junseong","4-{[(1S,2R)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","Acta Crystallographica Section E","2012","68","8","o2455","","10.1107/S1600536812031169","","","0.71073","MoKα","","0.0617","0.039","","","0.0851","0.0945","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235970","28.312","0.003","7.2952","0.0007","13.0626","0.0013","90","","103.151","0.002","90","","2627.2","0.5","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine","","- C15 H12 F N3 S -","- C15 H12 F N3 S -","- C120 H96 F8 N24 S8 -","8","2","RZ2786","Fun, Hoong-Kun; Quah, Ching Kheng; Munirajasekhar, D.; Himaja, M.; Sarojini, B. K.","1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine","Acta Crystallographica Section E","2012","68","8","o2438","o2439","10.1107/S1600536812030851","","","0.71073","MoKα","","0.0356","0.0331","","","0.0784","0.0802","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235971","24.691","0.007","6.7678","0.0017","17.884","0.005","90","","97.184","0.005","90","","2965","1.4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","1","RZ2789","Yin, Ling; Wang, Yi; Wang, Ying-Ying; Wang, Jian-Wu","Ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate","Acta Crystallographica Section E","2012","68","8","o2513","","10.1107/S1600536812032370","","","0.71073","MoKα","","0.0352","0.026","","","0.0596","0.062","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235972","11.9043","0.0013","5.2969","0.0006","16.4579","0.0018","90","","90.397","0.003","90","","1037.7","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide","","- C11 H9 F N2 O S -","- C11 H9 F N2 O S -","- C44 H36 F4 N8 O4 S4 -","4","1","RZ2790","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(2-Fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","8","o2565","","10.1107/S1600536812032989","","","0.71073","MoKα","","0.0447","0.0339","","","0.0837","0.0901","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235973","4.912","0.0005","6.3131","0.0006","42.517","0.004","90","","90","","90","","1318.4","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromophenyl)-N-(3-chloro-4-fluorophenyl)acetamide","","- C14 H10 Br Cl F N O -","- C14 H10 Br Cl F N O -","- C56 H40 Br4 Cl4 F4 N4 O4 -","4","1","RZ2791","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-N-(3-chloro-4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2558","","10.1107/S1600536812032977","","","0.71073","MoKα","","0.0599","0.0544","","","0.1184","0.1201","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235974","8.5603","0.0012","11.0699","0.0015","37.346","0.005","90","","90","","90","","3539","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine- κ^2^N,N')bis(thiocyanato-κN)manganese(II)]- μ-thiocyanato-κ^2^N:S]","","- C13 H16 Mn N6 S3 -","- C13 H16 Mn N6 S3 -","- C104 H128 Mn8 N48 S24 -","8","1","RZ2792","Wang, Jun; Zhu, Wubiao; Li, Jichang","catena-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine-κ^2^N,N')bis(thiocyanato-κN)manganese(II)]-μ-thiocyanato-κ^2^N:S]","Acta Crystallographica Section E","2012","68","8","m1131","","10.1107/S1600536812032874","","","0.71073","MoKα","","0.0771","0.043","","","0.0853","0.098","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235975","10.2147","0.0002","17.8203","0.0004","9.573","0.0002","90","","114.019","0.001","90","","1591.68","0.06","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorophenyl)-2,2-diphenylacetamide","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","1","RZ2793","Fun, Hoong-Kun; Loh, Wan-Sin; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(4-Chlorophenyl)-2,2-diphenylacetamide","Acta Crystallographica Section E","2012","68","8","o2556","o2557","10.1107/S1600536812032965","","","0.71073","MoKα","","0.0539","0.0439","","","0.0978","0.1031","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235976","7.129","0.0006","9.6101","0.0008","10.6999","0.0009","101.787","0.002","102.55","0.002","95.879","0.002","692.13","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one","","- C15 H14 O4 S -","- C15 H14 O4 S -","- C30 H28 O8 S2 -","2","1","RZ2794","Yousuf, Sammer; Iqbal, Sarosh; Ambreen, Nida; Khan, Khalid M.","1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one","Acta Crystallographica Section E","2012","68","8","o2562","","10.1107/S1600536812032795","","","0.71073","MoKα","","0.0531","0.0433","","","0.1013","0.1075","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235977","7.647","0.003","8.145","0.003","15.583","0.006","90","","90","","90","","970.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxycarbonyl-6-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","SJ5245","Lu, Zai-Sheng; Zhu, Guong-Zhou; Lu, Han; Wang, Xiang-Shan","2-Methoxycarbonyl-6-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","8","o2404","","10.1107/S1600536812030462","","","0.71073","MoKα","","0.0277","0.0268","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235978","21.144","0.002","8.2997","0.0008","28.528","0.003","90","","93.029","0.001","90","","4999.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium picrate monohydrate","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium 2,4,6-trinitrophenolate monohydrate","","- C23 H24 Cl N5 O8 -","- C23 H24 Cl N5 O8 -","- C184 H192 Cl8 N40 O64 -","8","1","SJ5246","Song, Yanxi; Chidan Kumar, C. S.; Chandraju, S.; Naveen, S.; Li, Hongqi","4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-ium picrate monohydrate","Acta Crystallographica Section E","2012","68","8","o2486","","10.1107/S1600536812031984","","","0.71073","MoKα","","0.0827","0.0573","","","0.1541","0.1753","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235979","7.729","0.001","8.047","0.001","10.015","0.001","88.05","0.01","76.39","0.01","66.57","0.01","554.24","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-Acetyl-1-(2,6-dichlorophenyl)thiourea","","- C9 H8 Cl2 N2 O S -","- C9 H8 Cl2 N2 O S -","- C18 H16 Cl4 N4 O2 S2 -","2","1","SJ5247","Kumar, Sharatha; Foro, Sabine; Gowda, B. Thimme","3-Acetyl-1-(2,6-dichlorophenyl)thiourea","Acta Crystallographica Section E","2012","68","8","o2307","","10.1107/S160053681202925X","","","0.71073","MoKα","","0.0445","0.0366","","","0.0893","0.0947","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235980","8.5931","0.0009","8.7409","0.0014","11.0695","0.0019","72.626","0.004","70.088","0.003","80.035","0.006","743.71","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3- carbonitrile","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","SJ5250","Mohamed, Shaaban K.; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Albayati, Mustafa R.","2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2315","o2316","10.1107/S1600536812029480","","","0.71073","MoKα","","0.0773","0.0448","","","0.1039","0.1154","","","","","","0.913","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235981","30.505","0.002","7.8881","0.0004","16.5191","0.0012","90","","113.718","0.009","90","","3639.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-5-ol","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C192 H152 N24 O8 -","8","1","SJ5251","Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-5-ol","Acta Crystallographica Section E","2012","68","8","o2310","o2311","10.1107/S1600536812029340","","","0.71073","MoKα","","0.0608","0.0483","","","0.1213","0.13","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235982","7.715","0.0007","8.2058","0.0008","11.9722","0.0012","83.771","0.001","84.362","0.001","84.298","0.002","746.79","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1H)-one","","- C15 H8 Cl4 N2 O -","- C15 H8 Cl4 N2 O -","- C30 H16 Cl8 N4 O2 -","2","1","SJ5253","Zhang, Jinpeng; Wang, Yinan; Wang, Qian; Xu, Lichun","6,7-Dichloro-3-(2,4-dichlorobenzyl)quinoxalin-2(1H)-one","Acta Crystallographica Section E","2012","68","8","o2481","","10.1107/S160053681203098X","","","0.71073","MoKα","","0.1131","0.0547","","","0.091","0.1027","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235983","7.4931","0.0005","14.7345","0.001","13.5681","0.001","90","","95.56","0.001","90","","1490.97","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Chloro-1-(4-hydroxyphenyl)ethanone","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C64 H56 Cl8 O16 -","8","2","SJ5254","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","2-Chloro-1-(4-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","8","o2424","","10.1107/S1600536812030838","","","0.71073","MoKα","","0.028","0.0259","","","0.0716","0.0734","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235984","11.1287","0.0006","5.6641","0.0003","13.3419","0.0007","90","","108.552","0.001","90","","797.29","0.07","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)hydrazine","","- C7 H5 Cl F N3 S -","- C7 H5 Cl F N3 S -","- C28 H20 Cl4 F4 N12 S4 -","4","1","SJ5255","Fun, Hoong-Kun; Quah, Ching Kheng; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)hydrazine","Acta Crystallographica Section E","2012","68","8","o2459","","10.1107/S160053681203156X","","","0.71073","MoKα","","0.0266","0.0236","","","0.0645","0.0663","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235985","6.9063","0.0004","8.7085","0.0004","11.7294","0.0006","94.864","0.003","98.013","0.003","106.579","0.002","663.73","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","SJ5256","Bakthadoss, M.; Selvakumar, R.; Madhanraj, R.; Murugavel, S.","2-[Hydroxy(2-methoxyphenyl)methyl]acrylonitrile","Acta Crystallographica Section E","2012","68","8","o2467","","10.1107/S1600536812031728","","","0.71073","MoKα","","0.0828","0.0603","","","0.1963","0.2147","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235986","9.6761","0.0006","10.4865","0.0007","14.3805","0.0014","98.779","0.004","98.641","0.004","109.681","0.003","1325.57","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-[4-(4-Nitrophenoxy)phenyl]acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","2","SJ5257","Nigar, Asifa; Akhter, Zareen; Tahir, M. Nawaz","N-[4-(4-Nitrophenoxy)phenyl]acetamide","Acta Crystallographica Section E","2012","68","8","o2485","","10.1107/S1600536812031856","","","0.71073","MoKα","","0.0591","0.0409","","","0.1055","0.1179","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235987","9.2477","0.0009","15.293","0.001","10.4671","0.0009","90","","108.66","0.01","90","","1402.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(2-Chlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","SJ5261","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2575","","10.1107/S1600536812033107","","","0.71073","MoKα","","0.0576","0.043","","","0.0908","0.0981","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235988","11.064","0.003","9.437","0.002","13.277","0.004","90","","108.997","0.003","90","","1310.8","0.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{6-bromo-4-chloro-2-[(E)-(2- chlorophenyl)iminomethyl]phenolato-κ^2^N,O}copper(II)","","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C26 H14 Br2 Cl4 Cu N2 O2 -","- C52 H28 Br4 Cl8 Cu2 N4 O4 -","2","0.5","SU2417","Ping, Zhang","Bis{6-bromo-4-chloro-2-[(E)-(2-chlorophenyl)iminomethyl]phenolato-κ^2^N,O}copper(II)","Acta Crystallographica Section E","2012","68","8","m1118","","10.1107/S1600536812025044","","","0.71073","MoKα","","0.0413","0.0282","","","0.0619","0.065","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235989","6.7235","0.001","17.26","0.004","8.1904","0.001","90","","108.994","0.01","90","","898.7","0.3","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium morpholine-4-carbodithioate monohydrate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","1","SU2446","Mafud, Ana C.","Potassium morpholine-4-carbodithioate monohydrate","Acta Crystallographica Section E","2012","68","8","m1025","","10.1107/S1600536812029613","","","0.71073","MoKα","","0.116","0.0473","","","","0.1295","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235990","13.0467","0.0003","23.424","0.0007","14.3264","0.0005","90","","103.541","0.003","90","","4256.5","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)cobalt(III) chloroform hemisolvate","","- C49.5 H33.5 Cl2.5 Co N5 -","- C49 H33 Cl Co N5 -","- C196 H132 Cl4 Co4 N20 -","4","1","SU2453","Belghith, Yassin; Daran, Jean-Claude; Nasri, Habib","Chlorido(pyridine-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)cobalt(III) chloroform hemisolvate","Acta Crystallographica Section E","2012","68","8","m1104","m1105","10.1107/S1600536812032564","","","0.71073","MoKα","","0.0477","0.0391","","","0.1045","0.1076","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235991","24.9797","0.0014","31.666","0.003","4.4495","0.0002","90","","90","","90","","3519.6","0.4","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","4,4',6,6'-Tetrachloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","","- C17 H14 Cl4 N2 O2 -","- C17 H14 Cl4 N2 O2 -","- C136 H112 Cl32 N16 O16 -","8","0.5","SU2464","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,4',6,6'-Tetrachloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","8","o2323","","10.1107/S1600536812029443","","","0.71073","MoKα","","0.0415","0.0273","","","0.0612","0.0675","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235992","12.723","0.003","10.291","0.002","6.9428","0.0018","90","","97.046","0.015","90","","902.2","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4',6,6'-Tetrabromo-2,2'-[(E,E)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol","","- C16 H12 Br4 N2 O2 -","- C16 H12 Br4 N2 O2 -","- C32 H24 Br8 N4 O4 -","2","0.5","SU2470","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","4,4',6,6'-Tetrabromo-2,2'-[(E,E)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","8","o2348","","10.1107/S1600536812029832","","","0.71073","MoKα","","0.1319","0.0694","","","0.1691","0.2024","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235993","4.5578","0.0003","16.5095","0.0011","27.2417","0.0018","90","","91.736","0.004","90","","2048.9","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(Z)-(3-{[(Z)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol","","- C17 H14 I4 N2 O2 -","- C17 H14 I4 N2 O2 -","- C68 H56 I16 N8 O8 -","4","1","SU2471","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","2-[(Z)-(3-{[(Z)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","8","o2500","","10.1107/S160053681203214X","","","0.71073","MoKα","","0.0779","0.0345","","","0.0499","0.0592","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235994","26.1229","0.0018","10.7409","0.0007","7.2387","0.0005","90","","98.107","0.003","90","","2010.8","0.2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(3,5-diiodosalicylidene)-1,3-propanediamine nickel(II)","{4,4',6,6'-Tetraiodo-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^O,N,N',O'}nickel(II)","","- C17 H12 I4 N2 Ni O2 -","- C17 H12 I4 N2 Ni O2 -","- C68 H48 I16 N8 Ni4 O8 -","4","0.5","SU2472","Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz","{4,4',6,6'-Tetraiodo-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}nickel(II)","Acta Crystallographica Section E","2012","68","8","m1090","","10.1107/S1600536812032138","","","0.71073","MoKα","","0.0447","0.0306","","","0.0506","0.0549","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235995","5.0734","0.0003","11.4528","0.0007","15.0751","0.0009","90","","99.679","0.001","90","","863.46","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Cyano-1-methylpyridinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C28 H28 I4 N8 -","4","1","SU2473","Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium iodide","Acta Crystallographica Section E","2012","68","8","o2514","","10.1107/S1600536812032230","","","0.71073","MoKα","","0.0251","0.0201","","","0.0454","0.0476","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235996","14.786","0.003","14.634","0.003","15.399","0.003","90","","92.288","0.004","90","","3329.4","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","2","SU2474","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Singh, Kuldip; El-Remaily, Mahoud A. A.","2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2495","o2496","10.1107/S1600536812032163","","","0.71073","MoKα","","0.1351","0.0612","","","0.1292","0.1574","","","","","","0.81","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235997","3.9084","0.0001","9.8832","0.0004","12.0091","0.0005","90","","93.9","0.002","90","","462.81","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Bithiophene-3,3'-dicarbonitrile","","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","- C20 H8 N4 S4 -","2","0.5","SU2475","Novina, J. Josephine; Vasuki, G.; Karthik, Durai; Thomas, K. R. Justin","2,2'-Bithiophene-3,3'-dicarbonitrile","Acta Crystallographica Section E","2012","68","8","o2542","","10.1107/S1600536812032503","","","0.71073","MoKα","","0.0459","0.034","","","0.0946","0.1047","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235998","9.8117","0.0003","20.3445","0.0004","8.0486","0.0002","90","","90","","90","","1606.61","0.07","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,1,1-trichloro-2,2-bis(4-iodophenyl)ethane","","- C14 H9 Cl3 I2 -","- C14 H9 Cl3 I2 -","- C56 H36 Cl12 I8 -","4","1","SU2477","Smith, Graham","1,1,1-Trichloro-2,2-bis(4-iodophenyl)ethane","Acta Crystallographica Section E","2012","68","8","o2504","","10.1107/S1600536812032254","","","0.71073","MoKα","","0.0476","0.0441","","","0.1094","0.1122","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235999","6.904","0.004","8.494","0.005","8.643","0.005","67.191","0.005","70.36","0.005","87.172","0.005","438.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-diyl]diacetate","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","1","0.5","SU2479","Guo, Huai-Ling; Liu, Jia-Cheng; Xiao, Chao-Hu; Pang, Ting; Cao, Ping","Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-diyl]diacetate","Acta Crystallographica Section E","2012","68","8","o2512","","10.1107/S1600536812032266","","","0.71073","MoKα","","0.0669","0.0477","","","0.1152","0.1268","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236000","7.7861","0.0002","9.7877","0.0003","9.9087","0.0003","77.851","0.003","71.462","0.002","86.72","0.003","699.87","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide-κN^1^)zinc","","- C28 H26 N4 O10 Zn -","- C28 H26 N4 O10 Zn -","- C28 H26 N4 O10 Zn -","1","0.5","SU2483","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide-κN^1^)zinc","Acta Crystallographica Section E","2012","68","8","m1127","m1128","10.1107/S160053681203320X","","","0.71073","MoKα","","0.0221","0.0217","","","0.0595","0.0597","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236001","9.0371","0.0002","9.6216","0.0002","11.0308","0.0003","75.171","0.002","65.865","0.002","69.833","0.001","814.2","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one‒ 6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1)","","- C20 H19.95 Cl0.05 O3 -","- C20 H19.947 Cl0.053 O3 -","- C40 H39.894 Cl0.106 O6 -","2","1","TK5116","Barot, Vijay M.; Jotani, Mukesh M.; Maheta, Jeshal G.","2-(4-Methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one‒6-chloro-2-(4-methylphenyl)-7-(2-methylpropoxy)-4H-chromen-4-one (19/1)","Acta Crystallographica Section E","2012","68","8","o2582","o2583","10.1107/S1600536812033430","","","0.71069","MoKα","","0.0692","0.0475","","","0.1233","0.136","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236002","9.8003","0.0006","15.8876","0.001","13.5588","0.0009","90","","100.306","0.003","90","","2077.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-trans-5-Benzoyl-4-(3-bromophenyl)-2-(1H-indol-3-yl)-4,5- dihydrofuran-3-carbonitrile","","- C26 H17 Br N2 O2 -","- C26 H17 Br N2 O2 -","- C104 H68 Br4 N8 O8 -","4","1","TK5125","Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha","(±)-trans-5-Benzoyl-4-(3-bromophenyl)-2-(1H-indol-3-yl)-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","8","o2397","","10.1107/S1600536812030073","","","0.71073","MoKα","","0.0803","0.0428","","","0.0939","0.1076","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236003","11.9612","0.0006","6.9478","0.0003","13.1554","0.0006","90","","91.244","0.002","90","","1093.01","0.09","91","2","91","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","TK5126","Mohamed, Shaaban K.; Abdelhamid, Antar A.; Younes, Sabry H. H.; Elremaily, Mahmoud A. A.; Simpson, Jim","(Z)-3-(2-Hydroxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","8","o2371","o2372","10.1107/S1600536812030243","","","0.71073","MoKα","","0.049","0.0409","","","0.095","0.0998","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236004","6.7963","0.0003","8.4054","0.0003","11.6649","0.0005","76.508","0.002","81.134","0.002","80.596","0.002","634.58","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(2Z)-Azepan-2-ylidene]-1-(4-nitrophenyl)ethanone","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","TK5129","Mthembu, Siyanda T.; Madeley, Lee G.; de Koning, Charles B.; Michael, Joseph P.","2-[(2Z)-Azepan-2-ylidene]-1-(4-nitrophenyl)ethanone","Acta Crystallographica Section E","2012","68","8","o2479","","10.1107/S1600536812032035","","","0.71073","MoKα","","","0.0391","","","","0.1158","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236005","3.855","0.003","7.585","0.002","10.094","0.002","92.424","0.003","98.172","0.002","104.166","0.002","282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(thiocyanato-κN)cobalt(II)]-di-μ-thiourea- κ^4^S:S]","","- C4 H8 Co N6 S4 -","- C4 H8 Co N6 S4 -","- C4 H8 Co N6 S4 -","1","0.5","TK5133","Rajarajan, K.; Sendil Kumar, K.; Ramesh, V.; Shihabuddeen, V.; Murugavel, S.","catena-Poly[[bis(thiocyanato-κN)cobalt(II)]-di-μ-thiourea-κ^4^S:S]","Acta Crystallographica Section E","2012","68","8","m1125","m1126","10.1107/S1600536812033193","","","0.71073","MoKα","","0.0199","0.0189","","","0.0518","0.0524","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236006","17.1009","0.0007","8.77","0.0004","13.117","0.0006","90","","103.898","0.004","90","","1909.63","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[(E)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1- ylidene]-1,2-diphenylethanone","","- C23 H16 N2 O S -","- C23 H16 N2 O S -","- C92 H64 N8 O4 S4 -","4","1","VM2179","Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","(Z)-2-[(E)-2-(1-Benzothiophen-3-ylmethylidene)hydrazin-1-ylidene]-1,2-diphenylethanone","Acta Crystallographica Section E","2012","68","8","o2579","o2580","10.1107/S1600536812030978","","","0.71073","MoKα","","0.0861","0.0544","","","0.1043","0.1208","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236007","20.9117","0.0006","7.9115","0.0002","19.8842","0.0005","90","","117.706","0.002","90","","2912.52","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dianilinium bis(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)cuprate(II) hexahydrate","","- C26 H34 Cu N4 O14 -","- C26 H34 Cu N4 O14 -","- C104 H136 Cu4 N16 O56 -","4","0.5","VN2037","Shokooh Saljooghi, Amir; Amiri Rudbari, Hadi; Nicolò, Francesco; Zahmati, Maliheh; Delavar Mendi, Fatemeh; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud","Dianilinium bis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)cuprate(II) hexahydrate","Acta Crystallographica Section E","2012","68","8","m1020","m1021","10.1107/S1600536812028590","","","0.71073","MoKα","","0.027","0.0249","","","0.0713","0.0733","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236008","11.0563","0.0015","7.56","0.001","5.3637","0.0007","90","","90","","90","","448.33","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Nioboaeschynite-(Ce)","calcium cerium(III) niobium(V) titanium(IV) hexaoxide","","- Ca0.25 Ce0.79 Nb1.14 O6 Ti0.86 -","- Ca0.25 Ce0.788 Nb1.14 O6 Ti0.86 -","- Ca Ce3.152 Nb4.56 O24 Ti3.44 -","4","0.5","WM2645","Morrison, Shaunna M.; Downs, Robert T.; Domanik, Kenneth J.; Yang, Hexiong; Doell, Donald","Nioboaeschynite-(Ce), Ce(NbTi)O~6~","Acta Crystallographica Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","0.71073","MoKα","","0.0325","0.0234","","","0.0519","0.0554","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236009","7.7847","0.0001","7.7944","0.0002","21.1957","0.0008","93.487","0.002","93.163","0.002","96.912","0.002","1271.84","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","[N,N'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2- diamine-κ^2^N,N']dibromidomercury(II)","","- C22 H28 Br2 Hg N2 O6 -","- C22 H28 Br2 Hg N2 O6 -","- C44 H56 Br4 Hg2 N4 O12 -","2","1","WM2653","Khalaji, Aliakbar Dehno; Dušek, Michal; Fejfarová, Karla","[N,N'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2-diamine-κ^2^N,N']dibromidomercury(II)","Acta Crystallographica Section E","2012","68","8","m1044","","10.1107/S1600536812030577","","","0.7107","MoKα","","0.0556","0.0435","","","0.1203","0.1252","","","","","","1.76","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236010","9.8028","0.0004","11.2293","0.0005","11.5316","0.0005","90.408","0.002","91.684","0.002","112.183","0.0018","1174.69","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(N-Benzoyl-N',N'-diphenylthioureato- κ^2^S,O)(η^4^-cycloocta-1,5-diene)rhodium(I)","","- C28 H27 N2 O Rh S -","- C28 H27 N2 O Rh S -","- C56 H54 N4 O2 Rh2 S2 -","2","1","WM2654","Warsink, Stefan; Roodt, Andreas","(N-Benzoyl-N',N'-diphenylthioureato-κ^2^S,O)(η^4^-cycloocta-1,5-diene)rhodium(I)","Acta Crystallographica Section E","2012","68","8","m1053","m1054","10.1107/S1600536812029753","","","0.71069","MoKα","","0.0331","0.0276","","","","0.07","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236011","8.9415","0.0004","8.7618","0.0003","16.3172","0.0006","90","","102.281","0.004","90","","1249.1","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Bis(nitrato-κO)tetrakis(1-vinyl-1H-imidazole- κN^3^)copper(II)","","- C20 H24 Cu N10 O6 -","- C20 H24 Cu N10 O6 -","- C40 H48 Cu2 N20 O12 -","2","0.5","WM2655","Şen, Fatih; Şahin, Ramazan; Andaç, Ömer; Taş, Murat","trans-Bis(nitrato-κO)tetrakis(1-vinyl-1H-imidazole-κN^3^)copper(II)","Acta Crystallographica Section E","2012","68","8","m1045","","10.1107/S1600536812030607","","","0.71073","MoKα","","0.0567","0.0406","","","0.0961","0.1087","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236012","23.162","0.007","5.0997","0.0014","7.769","0.002","90","","90","","90","","917.7","0.4","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C42 H38 Cu2 N6 O10 -","2","0.5","WM2656","Benghanem, Fatiha; Benramdane, Razika; Bouacida, Sofiane; Keraghel, Saida; Ourari, Ali","Aqua{4,4'-dimethoxy-2,2'-[pyridine-2,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","8","m1069","m1070","10.1107/S1600536812031273","","","0.71073","MoKα","","0.0446","0.0318","","","0.0571","0.0604","","","","","","0.893","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236013","12.7555","0.0016","11.185","0.0014","20.251","0.002","90","","105.795","0.002","90","","2780.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate","","- C52 H86 N4 O20 P2 -","- C52 H86 N4 O20 P2 -","- C104 H172 N8 O40 P4 -","2","0.5","WM2659","Mrad, Mohamed Lahbib; Zeller, Matthias; Hernandez, Kristen J.; Rzaigui, Mohamed; Ben Nasr, Cherif","Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate","Acta Crystallographica Section E","2012","68","8","o2531","o2532","10.1107/S1600536812032734","","","0.71073","MoKα","","0.053","0.0421","","","0.1055","0.1133","","","","","","1.024","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2236014","12.594","0.004","11.736","0.004","14.403","0.004","90","","113.31","0.001","90","","1955.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol- 2-ylidene]dichloridopalladium(II)","","- C42 H46 Cl2 N6 O2 Pd -","- C42 H46 Cl2 N6 O2 Pd -","- C84 H92 Cl4 N12 O4 Pd2 -","2","0.5","WM2660","Warsink, Stefan; Roodt, Andreas","trans-Bis[1-(2-benzamidoethyl)-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene]dichloridopalladium(II)","Acta Crystallographica Section E","2012","68","8","m1075","m1076","10.1107/S1600536812031868","","","0.71073","MoKα","","0.0235","0.0208","","","","0.0553","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236015","8.3711","0.0017","11.419","0.002","28.685","0.006","90","","90","","90","","2742","0.9","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl ent-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C30 H41 N O6 -","- C30 H41 N O6 -","- C120 H164 N4 O24 -","4","1","WN2481","Wu, Ya; Wang, Xia; Gong, Jian-hong; Tao, Jing-chao","Ethyl ent-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","8","o2342","","10.1107/S1600536812029418","","","0.71073","MoKα","","0.0836","0.0698","","","0.1778","0.1857","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236016","8.1547","0.0002","8.9321","0.0002","9.4028","0.0002","86.258","0.001","67.376","0.001","80.719","0.001","623.9","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane‒trans,trans-hexa-2,4-dienedioic acid (1/1)","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C24 H36 N4 O8 -","2","1","WN2482","Moon, Suk-Hee; Park, Ki-Min","1,4-Diazabicyclo[2.2.2]octane‒trans,trans-hexa-2,4-dienedioic acid (1/1)","Acta Crystallographica Section E","2012","68","8","o2344","","10.1107/S160053681202942X","","","0.71073","MoKα","","0.05","0.0445","","","0.1203","0.125","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236017","9.6769","0.0009","10.6596","0.001","10.7996","0.001","72.851","0.001","63.551","0.001","81.478","0.001","952.87","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate","Diaqua-1κO,3κO-di-μ-formato- 1:2κ^2^O:O';2:3κ^2^O:O'-bis{μ-2,2'-[propane- 1,3-diylbis(nitrilomethanylylidene)]diphenolato}- 1:2κ^6^O,N,N',O':O,O'; 2:3κ^6^O,O':O,N,N',O'- 2-cadmium(II)-1,3-dinickel(II) dihydrate","","- C36 H42 Cd N4 Ni2 O12 -","- C36 H42 Cd N4 Ni2 O12 -","- C36 H42 Cd N4 Ni2 O12 -","1","0.5","XU5190","Zhang, Jian-Feng; Wan, Bo; Liu, Wen; Shi, Qian","Diaquadi-μ-formato-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}cadmium(II)dinickel(II) dihydrate","Acta Crystallographica Section E","2012","68","8","m1122","m1123","10.1107/S1600536812029583","","","0.71073","MoKα","","0.0335","0.0263","","","0.0708","0.0736","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236018","11.3359","0.0007","12.1934","0.0007","15.3262","0.0009","90","","109.745","0.001","90","","1993.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","XU5556","Zhao, Yiliang; Hibbs, David E.; Groundwater, Paul W.; Wassef, Abram","Diethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","8","o2536","","10.1107/S160053681202750X","","","0.71073","MoKα","","0.0577","0.0431","","","0.1115","0.1202","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236019","8.472","0.0002","10.3043","0.0002","25.8774","0.0005","90","","90","","90","","2259.05","0.08","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C84 H96 N8 O32 -","4","1","XU5557","He, Long","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","Acta Crystallographica Section E","2012","68","8","o2363","","10.1107/S1600536812029625","","","1.54184","CuKα","","0.0595","0.05","","","0.1341","0.1413","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236020","10.1866","0.0003","13.698","0.0003","21.703","0.0006","90","","111.174","0.002","90","","2823.9","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N')[μ-5- (diphenylphosphinoyl)isophthalato- κ^3^O^1^,O^1'^:O^3^]nickel(II)]","","- C32 H25 N2 Ni O6 P -","- C32 H25 N2 Ni O6 P -","- C128 H100 N8 Ni4 O24 P4 -","4","1","XU5570","Zhang, Peng; Liu, Yu-Jie; Li, Kai-Hui; Yang, Guang-Rui; Mei, Chong-Zhen","Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N'][μ-5-(diphenylphosphinoyl)isophthalato-κ^3^O^1^,O^1'^:O^3^]nickel(II)]","Acta Crystallographica Section E","2012","68","8","m1058","m1059","10.1107/S1600536812031108","","","0.71073","MoKα","","0.0818","0.0471","","","0.1026","0.1124","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236021","7.6012","0.0003","12.238","0.0004","17.8839","0.0006","90","","90","","90","","1663.62","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Oxybis[2-(hydroxymethyl)-3,4,5,6-tetrahydro-2H-pyran-3,4,5-triol] dihydrate","","- C12 H26 O13 -","- C12 H26 O13 -","- C48 H104 O52 -","4","1","XU5574","Liu, Wei; Yan, Jun; Song, Qin; Gou, Xiao-Jun; Chen, Feng-Zheng","Trehalose dihydrate from Tremella fuciformis","Acta Crystallographica Section E","2012","68","8","o2511","","10.1107/S1600536812031947","","","0.71073","MoKα","","0.0401","0.0336","","","0.0705","0.0744","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236022","9.7021","0.0014","13.0937","0.0017","7.8806","0.0013","90","","95.746","0.005","90","","996.1","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[(Pyrazin-2-yl)amino]methyl}phenol","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","XU5580","Gao, Shan; Ng, Seik Weng","2-{[(Pyrazin-2-yl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","8","o2472","","10.1107/S1600536812031339","","","0.71073","MoKα","","0.1331","0.0613","","","0.138","0.1912","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236023","6.3331","0.0004","10.6761","0.0009","15.3714","0.001","90","","90","","90","","1039.3","0.13","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{[(Pyridin-2-yl)amino]methyl}phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5581","Gao, Shan; Ng, Seik Weng","2-{[(Pyridin-2-yl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","8","o2473","","10.1107/S1600536812031340","","","0.71073","MoKα","","0.0783","0.0434","","","0.1082","0.1312","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236024","13.611","0.004","12.687","0.003","10.03","0.002","90","","132.694","0.012","90","","1273","0.6","295","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","XU5582","Gao, Shan; Ng, Seik Weng","4-[(2-Hydroxybenzyl)amino]pyridinium nitrate","Acta Crystallographica Section E","2012","68","8","o2474","","10.1107/S1600536812031352","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1161","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236025","19.3402","0.0014","5.9467","0.0003","11.1761","0.0009","90","","116.263","0.01","90","","1152.68","0.17","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","","- C22 H23 Cl N6 O6 -","- C22 H23 Cl N6 O6 -","- C44 H46 Cl2 N12 O12 -","2","0.5","XU5583","Gao, Shan; Ng, Seik Weng","2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)","Acta Crystallographica Section E","2012","68","8","o2475","","10.1107/S1600536812031558","","","0.71073","MoKα","","0.0604","0.0467","","","0.1072","0.116","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236026","8.7875","0.0006","9.0946","0.0006","13.8873","0.0011","100.837","0.006","97.994","0.006","114.7","0.005","960.42","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κO)bis(2-pyridinealdoxime- κ^2^N,N')cadmium(II)","","- C16 H18 Cd N4 O6 -","- C16 H18 Cd N4 O6 -","- C32 H36 Cd2 N8 O12 -","2","1","XU5584","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Bis(acetato-κO)bis(2-pyridinealdoxime-κ^2^N,N')cadmium","Acta Crystallographica Section E","2012","68","8","m1080","m1081","10.1107/S1600536812031819","","","0.71073","MoKα","","0.042","0.0343","","","0.0823","0.0842","","","","","","0.994","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236027","11.2699","0.0012","7.3799","0.0007","11.8669","0.0015","90","","95.267","0.009","90","","982.81","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tetraaquacopper(II)]-μ-pyrazine-2-carboxamide- κ^3^N^4^:N^1^,O-[bis(sulfato-κO)copper(II)]- μ-pyrazine-2-carboxamide-κ^3^N^1^,O:N^4^]","","- C5 H9 Cu N3 O7 S -","- C5 H9 Cu N3 O7 S -","- C20 H36 Cu4 N12 O28 S4 -","4","1","XU5585","Shirvan, Sadif A.; Haydari Dezfuli, Sara","catena-Poly[[tetraaquacopper(II)]-μ-pyrazine-2-carboxamide-κ^3^N^4^:N^1^,O-[bis(sulfato-κO)copper(II)]-μ-pyrazine-2-carboxamide-κ^3^N^1^,O:N^4^]","Acta Crystallographica Section E","2012","68","8","m1082","m1083","10.1107/S1600536812031844","","","0.71073","MoKα","","0.0484","0.0353","","","0.0983","0.1029","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236028","7.1988","0.0002","8.5347","0.0002","15.9719","0.0004","85.435","0.003","78.01","0.003","67.846","0.002","889.03","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(4- formylbenzoato-κO^1^)zinc","","- C36 H42 N4 O10 Zn -","- C36 H42 N4 O10 Zn -","- C36 H42 N4 O10 Zn -","1","0.5","XU5586","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(4-formylbenzoato-κO^1^)zinc","Acta Crystallographica Section E","2012","68","8","m1067","m1068","10.1107/S1600536812031200","","","0.71073","MoKα","","0.0286","0.025","","","0.071","0.0809","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236029","15.808","0.005","6.606","0.002","16.693","0.008","90","","94.107","0.016","90","","1738.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Ethanolato-κO)[N'-(3-methoxy-2- oxidobenzylidene-κO^2^)benzohydrazidato- κ^2^N',O]oxidovanadium(V)","","- C17 H17 N2 O6 V -","- C17 H17 N2 O6 V -","- C68 H68 N8 O24 V4 -","4","1","XU5587","Chen, Xiao-Hua; Wu, Qiong-Jie; Chen, Li-Juan; Yang, Ming-Xing","(Ethanolato-κO)[N'-(3-methoxy-2-oxidobenzylidene-κO^2^)benzohydrazidato-κ^2^N',O]oxidovanadium(V)","Acta Crystallographica Section E","2012","68","8","m1101","m1102","10.1107/S1600536812032229","","","0.71073","MoKα","","0.0483","0.0378","","","0.0997","0.1045","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236030","14.2209","0.001","11.2252","0.0008","12.7139","0.0009","90","","113.286","0.001","90","","1864.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ-3-amino-5-carboxybenzoato- κ^2^N:O^1^)diaquazinc] dihydrate]","","- C16 H20 N2 O12 Zn -","- C16 H20 N2 O12 Zn -","- C64 H80 N8 O48 Zn4 -","4","0.5","XU5588","Zhang, Kou-Lin; Qiu, Ting-Ting; Ng, Seik Weng","Poly[[bis(μ-3-amino-5-carboxybenzoato-κ^2^N:O^1^)diaquazinc] dihydrate]","Acta Crystallographica Section E","2012","68","8","m1088","","10.1107/S1600536812031789","","","0.71073","MoKα","","0.0385","0.0337","","","0.0949","0.0979","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236031","15.2674","0.0003","12.2422","0.0003","22.3402","0.0005","90","","131.425","0.001","90","","3130.91","0.13","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(Anilino{(Z)-2-[(E)-5-bromo-3-methoxy-2- oxidobenzylidene]hydrazin-1-ylidene-κ^2^O^2^,N^2^} methanethiolato-κS)(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc N,N-dimethylformamide monosolvate","","- C30 H31 Br N6 O3 S Zn -","- C30 H31 Br N6 O3 S Zn -","- C120 H124 Br4 N24 O12 S4 Zn4 -","4","2","XU5589","Jacob, Jinsa Mary; Prathapachandra Kurup, M. R.; Ng, Seik Weng","(Anilino{(Z)-2-[(E)-5-bromo-3-methoxy-2-oxidobenzylidene]hydrazin-1-ylidene-κ^2^O^2^,N^2^}methanethiolato-κS)(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')zinc N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","8","m1089","","10.1107/S1600536812031777","","","0.71073","MoKα","","0.1204","0.0697","","","0.1751","0.2105","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236032","9.0361","0.001","11.6937","0.0011","13.6904","0.0015","90","","100.588","0.003","90","","1422","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,5-Dichloro-N-(3-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","XU5591","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Arshad, Muhammad Nadeem","2,5-Dichloro-N-(3-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2476","","10.1107/S1600536812032023","","","0.71073","MoKα","","0.0635","0.052","","","0.1456","0.1588","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236033","7.0494","0.0003","14.6994","0.0007","15.3608","0.0007","90","","90","","90","","1591.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4,6-Tri-O-acetyl-1,2-[(S)-ethylidene]-β-D- mannopyranose","","- C14 H20 O9 -","- C14 H20 O9 -","- C56 H80 O36 -","4","1","XU5592","Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele; Muller, Alfred","3,4,6-Tri-O-acetyl-1,2-[(S)-ethylidene]-β-D-mannopyranose","Acta Crystallographica Section E","2012","68","8","o2520","","10.1107/S1600536812032369","","","1.54178","CuKα","","0.0274","0.0256","","","","0.0852","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236034","16.495","0.003","6.632","0.0013","16.273","0.003","90","","119.56","0.03","90","","1548.5","0.7","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(2-amino-3-methylpyridine-κN^1^)dichloridomercury(II)","","- C12 H16 Cl2 Hg N4 -","- C12 H16 Cl2 Hg N4 -","- C48 H64 Cl8 Hg4 N16 -","4","1","XU5594","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","Bis(2-amino-3-methylpyridine-κN^1^)dichloridomercury(II)","Acta Crystallographica Section E","2012","68","8","m1099","","10.1107/S1600536812032126","","","0.71073","MoKα","","0.0553","0.0466","","","0.1126","0.1163","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236035","10.8485","0.0002","11.9605","0.0002","16.5705","0.0003","90","","111.246","0.001","90","","2003.95","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1S,3R)-3-Isobutyl-2,3-dihydrospiro[benzo[f]isoindole- 1,3'-indoline]-2',4,9-trione methanol monosolvate","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","XU5595","Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(1S,3R)-3-Isobutyl-2,3-dihydrospiro[benzo[f]isoindole-1,3'-indoline]-2',4,9-trione methanol monosolvate","Acta Crystallographica Section E","2012","68","8","o2522","o2523","10.1107/S1600536812032643","","","0.71073","MoKα","","0.0745","0.0528","","","0.1235","0.1345","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236036","7.5586","0.0015","7.5876","0.0015","11.311","0.002","106.859","0.002","95.79","0.002","110.883","0.002","564.7","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(thiocyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl- κN^1^)pyridin-2-amine]cadmium","","- C16 H18 Cd N12 O2 S2 -","- C16 H18 Cd N12 O2 S2 -","- C16 H18 Cd N12 O2 S2 -","1","0.5","XU5596","Liu, Yuan-Yuan; Yang, Pan; Ding, Bin","Diaquabis(thiocyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN^1^)pyridin-2-amine]cadmium","Acta Crystallographica Section E","2012","68","8","m1095","m1096","10.1107/S1600536812032473","","","0.71073","MoKα","","0.0181","0.0172","","","0.0453","0.0457","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236037","7.7784","0.0002","9.7988","0.0003","9.897","0.0003","78.08","0.003","71.395","0.002","86.638","0.004","699.48","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide- κN^1^)cobalt(II)","","- C28 H26 Co N4 O10 -","- C28 H26 Co N4 O10 -","- C28 H26 Co N4 O10 -","1","0.5","XU5597","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(4-formylbenzoato-κO^1^)bis(nicotinamide-κN^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1091","m1092","10.1107/S1600536812032205","","","0.71073","MoKα","","0.0281","0.0257","","","0.0672","0.0686","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236038","16.8457","0.0012","10.6227","0.0008","10.4817","0.0006","90","","101.268","0.004","90","","1839.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-tert- butylphenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","1","YK2062","Carreño, Alexander; Ladeira, Sonia; Castel, Annie; Vega, Andres; Chavez, Ivonne","(E)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-tert-butylphenol","Acta Crystallographica Section E","2012","68","8","o2507","o2508","10.1107/S1600536812032060","","","0.71073","MoKα","","0.0969","0.054","","","0.1383","0.1598","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236039","6.8912","0.0008","6.9725","0.0009","8.9927","0.001","67.964","0.011","74.368","0.01","78.258","0.01","383.16","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,9-Diiodohexacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^.0^1,8^]octadecane","","- C18 H24 I2 -","- C18 H24 I2 -","- C18 H24 I2 -","1","0.5","ZJ2079","Ioannou, Savvas; Moushi, Eleni","2,9-Diiodohexacyclo[9.3.1.1^2,6^.1^4,8^.1^9,13^.0^1,8^]octadecane","Acta Crystallographica Section E","2012","68","8","o2340","o2341","10.1107/S1600536812026797","","","0.71073","MoKα","","0.0342","0.0324","","","0.0834","0.0852","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236040","9.3038","0.0005","7.929","0.0005","19.6216","0.0012","90","","92.944","0.005","90","","1445.57","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","1","ZJ2082","Naik, Reshma; Sankolli, Ravish; Anil Kumar, G. N.; Row, T. N. Guru; Kulkarni, Manohar V.","4-{[Bis(2-hydroxyethyl)amino]methyl}-6-methoxy-2H-chromen-2-one","Acta Crystallographica Section E","2012","68","8","o2413","o2414","10.1107/S1600536812030759","","","0.71073","MoKα","","0.0708","0.0526","","","","0.1494","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236041","7.697","0.001","17.238","0.002","14.206","0.001","90","","100.551","0.001","90","","1853","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Ethylenediamine-κ^2^N,N')bis(perchlorato- κO)bis(pyridine-κN)copper(II)","","- C12 H18 Cl2 Cu N4 O8 -","- C12 H18 Cl2 Cu N4 O8 -","- C48 H72 Cl8 Cu4 N16 O32 -","4","0.5","ZJ2084","Ourari, Ali; Bounab, Nawel; Bouacida, Sofiane; Aggoun, Djouhra","(Ethylenediamine-κ^2^N,N')bis(perchlorato-κO)bis(pyridine-κN)copper(II)","Acta Crystallographica Section E","2012","68","8","m1030","m1031","10.1107/S1600536812029868","","","0.71073","MoKα","","0.0518","0.0466","","","0.1303","0.1364","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236042","17.546","0.0016","7.2752","0.0007","20.3148","0.0019","90","","95.691","0.002","90","","2580.4","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine- κN^2^]bis(selenocyanato-κN)cobalt(II)","","- C20 H18 Co N16 O2 Se2 -","- C20 H18 Co N16 O2 Se2 -","- C80 H72 Co4 N64 O8 Se8 -","4","0.5","ZJ2088","Liu, Yuan-Yuan; Yang, Pan","Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine-κN^2^]bis(selenocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2012","68","8","m1097","m1098","10.1107/S1600536812032461","","","0.71073","MoKα","","0.029","0.0258","","","0.064","0.0654","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236043","9.6434","0.0001","15.4287","0.0002","16.4161","0.0002","92.1948","0.0006","98.2331","0.0007","91.3097","0.0006","2414.53","0.05","90","0.5","90","0.5","101.3","","","","","","","3","P -1","-P 1","2","","1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b- octahydro-1,4:5,8-dimethanotriphenylene","","- C20 H8 Cl12 -","- C20 H8 Cl12 -","- C80 H32 Cl48 -","4","2","ZJ2089","Jenkins, Brandon W.; Fronczek, Frank R.; Watkins, Steven F.","1,2,3,4,5,6,7,8,13,13,14,14-Dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene at 90K","Acta Crystallographica Section E","2012","68","8","o2538","","10.1107/S1600536812032540","","","0.71073","MoKα","","","0.0322","","","","0.0858","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236044","14.3793","0.0003","11.4519","0.0002","9.6419","0.0002","90","","107.854","0.001","90","","1511.27","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Iodo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 I O2 S -","- C16 H13 I O2 S -","- C64 H52 I4 O8 S4 -","4","1","ZL2489","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-2-methyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","8","o2390","","10.1107/S1600536812030036","","","0.71073","MoKα","","0.0358","0.0268","","","0.0635","0.0682","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236045","13.3701","0.0011","6.1744","0.0005","31.797","0.002","90","","90.381","0.002","90","","2624.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolylamino)-1,2,5,6- tetrahydropyridine-3-carboxylate","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","ZL2490","Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti","Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","8","o2392","o2393","10.1107/S1600536812030309","","","0.71073","MoKα","","0.0769","0.044","","","0.103","0.112","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236046","10.2652","0.0006","11.9064","0.0007","10.2416","0.0006","90","","108.403","0.007","90","","1187.73","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylphenylsulfonyl)maleamic acid","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","ZL2493","Purandara, H.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methylphenylsulfonyl)maleamic acid","Acta Crystallographica Section E","2012","68","8","o2499","","10.1107/S1600536812032084","","","0.71073","MoKα","","0.0356","0.0309","","","0.0834","0.0859","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236047","23.8629","0.0004","9.5396","0.0006","18.37","0.0007","90","","109.041","0.002","90","","3953","0.3","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,2-dimethoxyethane)-1κ^2^O,O';3κ^2^O,O'- tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)- 1:2κ^4^O:O;2:3κ^4^O:O-1,3-dilithium-2-magnesium","","- C24 H32 F24 Li2 Mg O8 -","- C24 H32 F24 Li2 Mg O8 -","- C96 H128 F96 Li8 Mg4 O32 -","4","0.5","ZL2496","Wurst, Klaus; Buchmeiser, Michael R.","Bis(1,2-dimethoxyethane)-1κ^2^O,O';3κ^2^O,O'-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ^4^O:O;2:3κ^4^O:O-1,3-dilithium-2-magnesium","Acta Crystallographica Section E","2012","68","8","m1106","","10.1107/S1600536812032679","","","0.71073","MoKα","","0.0686","0.0482","","","0.1174","0.1267","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236048","14.5338","0.0002","13.6779","0.0002","15.0051","0.0002","90","","110.102","0.001","90","","2801.18","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]benzene","","- C38 H30 N4 -","- C38 H30 N4 -","- C152 H120 N16 -","4","1","ZQ2175","Spencer, Lara C.; Guzei, Ilia A.; Segapelo, Tebogo V.; Darkwa, James","1,2-Bis[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section E","2012","68","8","o2584","","10.1107/S1600536812032801","","","1.54178","CuKα","","0.0445","0.0346","","","0.0876","0.0939","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236049","6.1425","0.0001","9.4196","0.0002","11.0394","0.0003","90","","90","","90","","638.74","0.02","90","0.5","90","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-2-Oxotetrahydrofuran-3-aminium bromide","","- C4 H8 Br N O2 -","- C4 H8 Br N O2 -","- C16 H32 Br4 N4 O8 -","4","1","ZQ2176","Sandifer, Jace D.; Fronczek, Frank R.; Watkins, Steven F.","(S)-2-Oxotetrahydrofuran-3-aminium bromide","Acta Crystallographica Section E","2012","68","8","o2539","","10.1107/S1600536812032552","","","0.71073","MoKα","","","0.0218","","","","0.0485","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236050","5.8944","0.0004","11.4875","0.0011","43.795","0.003","90","","90","","90","","2965.4","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","","- C31 H40 N O2 P -","- C31 H40 N O2 P -","- C124 H160 N4 O8 P4 -","4","1","ZS2207","Yang, Meng; Sun, Yong-Ming; Hou, Qing-Gao; Zhao, Chang-Qiu","(R~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","Acta Crystallographica Section E","2012","68","8","o2328","","10.1107/S1600536812028243","","","0.71073","MoKα","","0.1212","0.0602","","","0.115","0.1326","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236051","5.4718","0.0001","8.402","0.0001","26.325","0.0005","90","","90","","90","","1210.27","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-3H-2,3-benzodiazepin-4(5H)-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","ZS2221","Daouda, Ballo; Bihel, Frédéric; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Ng, Seik Weng","1-Phenyl-3H-2,3-benzodiazepin-4(5H)-one","Acta Crystallographica Section E","2012","68","8","o2443","","10.1107/S1600536812031327","","","0.71073","MoKα","","0.0439","0.04","","","0.1106","0.1151","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236052","10.969","0.0018","17.305","0.003","8.016","0.0013","90","","120.901","0.002","90","","1305.6","0.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1H-imidazole-4-carboxylate","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","ZS2224","Dai, Chuntao; Nie, Jianhua; Lin, Yuehua; Wang, Jun","Dimethylammonium 5-carboxy-2-(1-oxo-1λ^5^-pyridin-2-yl)-1H-imidazole-4-carboxylate","Acta Crystallographica Section E","2012","68","8","o2600","","10.1107/S1600536812033557","","","0.71073","MoKα","","0.0458","0.0359","","","0.0792","0.0854","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236053","14.7469","0.0005","14.5697","0.0004","5.843","0.0002","90","","92.854","0.001","90","","1253.86","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-Phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C64 H44 F12 O4 -","4","1","AA2055","Zhao, Pei-Hua; Hao, Er-Jun; Liu, Ya-Qing; Zhao, Gui-Zhe","(E)-1-Phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2750","","10.1107/S1600536812035763","","","0.71073","MoKα","","0.0542","0.0356","","","0.073","0.0777","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236054","8.027","0.003","10.706","0.005","10.907","0.003","90","","97.333","0.003","90","","929.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trimethylthieno[2,3-d]pyrimidin-4(3H)-one","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C36 H40 N8 O4 S4 -","4","1","AA2064","Khatamov, Khamroqul; Saitqulov, Fozil; Ashurov, Jamshid; Shakhidoyatov, Khusnutdin","3,5,6-Trimethylthieno[2,3-d]pyrimidin-4(3H)-one","Acta Crystallographica Section E","2012","68","9","o2740","","10.1107/S1600536812035416","","","1.54184","CuKα","","0.0685","0.0495","","","0.1377","0.1513","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236055","5.7058","0.0001","5.8289","0.0001","27.315","0.0004","90","","90","","90","","908.46","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Leucinium fluoride monohydrate","L-Leucinium fluoride monohydrate","","- C6 H16 F N O3 -","- C6 H16 F N O3 -","- C24 H64 F4 N4 O12 -","4","1","AA2065","Zeghouan, Ouahida; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","L-Leucinium fluoride monohydrate","Acta Crystallographica Section E","2012","68","10","o2959","o2960","10.1107/S1600536812039001","","","0.71073","MoKα","","0.0328","0.0299","","","0.0772","0.0782","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236056","5.9317","0.0017","9.078","0.003","10.831","0.003","98.475","0.005","97.525","0.005","103.662","0.005","552.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[N-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2- trichloroethanimidamide]copper(II)","","- C8 H4 Cl12 Cu N6 -","- C8 H4 Cl12 Cu N6 -","- C8 H4 Cl12 Cu N6 -","1","0.5","AA2069","Shikhaliyev, Namig G.; Maharramov, Abel M.; Muzalevskiy, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.","[N-(1-Azanidyl-2,2,2-trichloroethylidene)-2,2,2-trichloroethanimidamide]copper(II)","Acta Crystallographica Section E","2012","68","9","m1220","m1221","10.1107/S1600536812036124","","","0.71073","MoKα","","0.053","0.0465","","","0.1274","0.133","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236057","29.6255","0.0008","6.8582","0.0002","14.8264","0.0004","90","","94.728","0.003","90","","3002.14","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2- carboxylato]copper(II)] dihydrate]","","- C34 H28 Cu N4 O9 -","- C34 H28 Cu N4 O9 -","- C136 H112 Cu4 N16 O36 -","4","0.5","AA2070","Song, Yun-Sung; Lee, Soon W.","Poly[[aquabis[μ~2~-6-(pyridine-3-carboxamido)naphthalene-2-carboxylato]copper(II)] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1422","","10.1107/S1600536812044157","","","0.71073","MoKα","","0.0878","0.0448","","","0.0812","0.0945","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236058","7.3338","0.0002","10.361","0.0002","10.9799","0.0002","104.644","0.001","92.926","0.001","102.035","0.001","784.71","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran","","- C17 H14 F I O2 S -","- C17 H14 F I O2 S -","- C34 H28 F2 I2 O4 S2 -","2","1","AA2071","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2965","","10.1107/S1600536812039463","","","0.71073","MoKα","","0.023","0.0216","","","0.0555","0.0564","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236059","5.0995","0.0005","30.792","0.003","12.7211","0.0011","90","","93.569","0.001","90","","1993.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-{2-[2-(2-Cyano-4,6-dinitrophenyl)diazenyl]- 5-(diethylamino)phenyl}acetamide","","- C19 H19 N7 O5 -","- C19 H19 N7 O5 -","- C76 H76 N28 O20 -","4","1","AA2072","Lu, Lihua","N-{2-[2-(2-Cyano-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)phenyl}acetamide","Acta Crystallographica Section E","2012","68","10","o3005","","10.1107/S160053681203992X","","","0.71073","MoKα","","0.1599","0.0669","","","0.1327","0.1573","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236060","11.8187","0.001","10.2911","0.0009","16.229","0.0014","90","","90.584","0.002","90","","1973.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 7-methyl-2-((1-methyl-1H-pyrrol-2-yl)methylene)-3-oxo-5- phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C88 H84 N12 O12 S4 -","4","1","AA2075","Hu, Jie; Wu, Xi-Xi; Shen, Xue-Qian; Tang, Long-Guang; Li, Xiao-Kun","Ethyl 7-methyl-2-((1-methyl-1H-pyrrol-2-yl)methylene)-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","11","o3099","","10.1107/S1600536812041748","","","0.71073","MoKα","","0.0449","0.0402","","","0.1053","0.1092","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236061","7.1095","0.0003","22.5186","0.0009","8.6486","0.0004","90","","105.946","0.001","90","","1331.33","0.1","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","","- C11 H12 Br2 N O4.5 -","- C11 H12 Br2 N O4.5 -","- C44 H48 Br8 N4 O18 -","4","2","BG2470","Bovonsombat, Pakorn; Snyder, John; Caruso, Francesco; Rossi, Miriam","N-Acetyl-3,5-dibromo-L-tyrosine hemihydrate","Acta Crystallographica Section E","2012","68","9","o2601","o2602","10.1107/S1600536812032928","","","0.71073","MoKα","","0.0266","0.0223","","","0.0467","0.0479","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236062","5.1161","0.001","11.877","0.002","12.245","0.002","109.59","0.03","99.93","0.03","100.47","0.03","667.1","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","(1E,2E)-1,2-Bis(2,3-dihydro-1H-inden-1-ylidene)hydrazine","","- C18 H16 N2 -","- C18 H16 N2 -","- C36 H32 N4 -","2","1","BG2471","Imhof, Wolfgang; Wunderle, Joachim","(1E,2E)-1,2-Bis(2,3-dihydro-1H-inden-1-ylidene)hydrazine","Acta Crystallographica Section E","2012","68","9","o2741","","10.1107/S160053681203560X","","","0.71073","MoKα","","0.091","0.0475","","","0.0979","0.1137","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236063","5.8017","0.0012","8.0253","0.0016","12.879","0.003","77.99","0.03","88.42","0.03","85.16","0.03","584.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1H-imidazole-κN^3^)bis(4-nitrobenzoato- κO^1^)cadmium","","- C20 H18 Cd N6 O10 -","- C20 H18 Cd N6 O10 -","- C20 H18 Cd N6 O10 -","1","0.5","BG2473","Mao, Yan-Li; Yu, Xiao-Ke; Lin, Jian-Li","Diaquabis(1H-imidazole-κN^3^)bis(4-nitrobenzoato-κO^1^)cadmium","Acta Crystallographica Section E","2012","68","9","m1149","","10.1107/S1600536812033739","","","0.71073","MoKα","","0.0317","0.0262","","","0.0597","0.0758","","","","","","1.235","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236064","10.0538","0.0003","11.0108","0.0003","17.9484","0.0005","90","","102.132","0.003","90","","1942.52","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyclohexylidene-N-methylhydrazinecarbothioamide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","BG2476","Tayamon, Shahedeh; Mazlan, Nurul Ain; Ravoof, Thahira Begum S. A.; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.","2-Cyclohexylidene-N-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","11","o3104","o3105","10.1107/S1600536812042018","","","1.5418","CuKα","","0.0378","0.0349","","0.0903","0.0879","0.0903","","","","","","0.9797","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236065","5.7428","0.0011","10.17","0.002","12.486","0.002","90","","102.09","0.03","90","","713.1","0.2","298","2","298","2","101.3","","","","","","","5","P 1 21 1","P 2yb","4","","N-[2-(Phenylsulfonyl)ethyl]benzylamine","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C30 H34 N2 O4 S2 -","2","1","BG2477","Aubry, David A.; Fronczek, Frank R.; Watkins, Steven F.","N-[2-(Phenylsulfonyl)ethyl]benzylamine","Acta Crystallographica Section E","2012","68","10","o2940","","10.1107/S160053681203886X","","","0.71073","MoKα","","","0.0288","","","","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236066","16.0585","0.0004","9.1527","0.0002","11.5866","0.0003","90","","132.915","0.002","90","","1247.2","0.07","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hydrogen terephthalate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","0.5","BG2478","Dolatyari, Leila; Shoghpour Bayraq, Samad; Sharifi, Sara; Ramazani, Ali; Morsali, Ali; Amiri Rudbari, Hadi","Tetramethylammonium hydrogen terephthalate","Acta Crystallographica Section E","2012","68","10","o3014","o3015","10.1107/S1600536812039487","","","0.71073","MoKα","","0.0563","0.0538","","","0.143","0.1465","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236067","7.4598","0.0003","19.3131","0.0008","24.4002","0.0009","90","","90","","90","","3515.4","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-(Benzo[d]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","","- C21 H14 Cl N O2 S -","- C21 H14 Cl N O2 S -","- C168 H112 Cl8 N8 O16 S8 -","8","1","BG2479","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(2-(Benzo[d]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","11","o3125","","10.1107/S1600536812041888","","","0.71073","MoKα","","0.076","0.0588","","","0.194","0.1997","","","","","","1.295","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236068","21.5786","0.0009","19.8596","0.0009","16.9192","0.0008","90","","106.695","0.0011","90","","6945","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trans-Iodido(pyrazinyl-κC^2^)bis(triphenylphosphane- κP)palladium(II)","","","- C40 H33 I N2 P2 Pd -","- C40 H33 I N2 P2 Pd -","- C320 H264 I8 N16 P16 Pd8 -","8","2","BG2480","Tu, Yao-Jen; Wang, Hsiao-Fen; Lee, Gene-Hsiang; Yih, Kuang-Hway; Tang, Xiao-Yan","trans-Iodido(pyrazinyl-κC^2^)bis(triphenylphosphane-κP)palladium(II)","Acta Crystallographica Section E","2012","68","11","m1419","m1420","10.1107/S1600536812043589","","","0.71073","MoKα","","0.075","0.0482","","","0.0905","0.1005","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236069","9.9826","0.0002","11.0994","0.0002","12.4453","0.0002","107.461","0.001","90.062","0.001","105.721","0.001","1261.1","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate","","- C38 H74 N6 O20 -","- C38 H74 N6 O20 -","- C38 H74 N6 O20 -","1","0.5","BH2430","Khorasani, Sanaz; Fernandes, Manuel A.","Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate","Acta Crystallographica Section E","2012","68","9","o2807","","10.1107/S1600536812036501","","","0.71073","MoKα","","0.0529","0.0401","","","0.1118","0.1183","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236070","8.0592","0.0001","7.6653","0.0001","9.7659","0.0002","90","","107.25","0.001","90","","576.164","0.016","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis(2-hydroxyethyl)ammonium 2-bromophenolate","bis(2-hydroxyethyl)ammonium 2-bromophenolate","","- C10 H16 Br N O3 -","- C10 H16 Br N O3 -","- C20 H32 Br2 N2 O6 -","2","1","BH2446","Padayachy, Kamentheren; Fernandes, Manuel A.; Marques, Helder M.; Lemmerer, Andreas; de Sousa, Alvaro S.","Bis(2-hydroxyethyl)ammonium 2-bromophenolate","Acta Crystallographica Section E","2012","68","9","o2610","","10.1107/S1600536812033752","","","0.71073","MoKα","","0.0199","0.0183","","","0.0417","0.0421","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236071","17.4505","0.0015","3.7875","0.0003","15.1669","0.0013","90","","90","","90","","1002.44","0.15","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","10-(Hydroxyimino)phenanthren-9-one","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","BH2448","Patel, Dinesh G.; Benedict, Jason B.","Tautomerism in 10-(hydroxyimino)phenanthren-9-one","Acta Crystallographica Section E","2012","68","10","o2871","","10.1107/S160053681203749X","","","0.71073","MoKα","","0.0398","0.0361","","","0.0968","0.0994","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236072","6.0415","0.0003","20.484","0.0011","11.8959","0.0007","90","","101.601","0.005","90","","1442.09","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 3-[(E)-(furan-2-yl)methylidene]-2-methyldithiocarbazate","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","BH2449","Dey, Benu K.; Suarez, Sebastian; Ganguly, Biplab; Doctorovich, Fabio; Roy, Tapashi G.","Benzyl 3-[(E)-(furan-2-yl)methylidene]-2-methyldithiocarbazate","Acta Crystallographica Section E","2012","68","9","o2752","","10.1107/S1600536812035520","","","0.71073","MoKα","","0.0661","0.0397","","","","0.09","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236073","3.874","0.0008","17.366","0.004","15.71","0.003","90","","90.91","0.03","90","","1056.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,6-Dibromoisophthalic acid monohydrate","","- C8 H6 Br2 O5 -","- C8 H6 Br2 O5 -","- C32 H24 Br8 O20 -","4","1","BH2450","Ye, Bao-fen","4,6-Dibromoisophthalic acid monohydrate","Acta Crystallographica Section E","2012","68","9","o2642","","10.1107/S1600536812033892","","","0.71073","MoKα","","0.1173","0.054","","","0.0762","0.0894","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236074","10.2227","0.0005","12.0375","0.0006","12.0941","0.0006","90","","90","","90","","1488.25","0.13","120.05","0.1","120.05","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,7S)-10-Ethyl-1,8,10,12- tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","","- C13 H25 I N4 -","- C13 H25 I N4 -","- C52 H100 I4 N16 -","4","1","BH2451","Rivera, Augusto; Osorio, Héctor Jairo; Sadat-Bernal, John; Eigner, Václav; Dušek, Michal","(2S,7S)-10-Ethyl-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","Acta Crystallographica Section E","2012","68","10","o3041","o3042","10.1107/S1600536812040159","","","0.7107","MoKα","","0.018","0.017","","","0.0407","0.0412","","","","","","1.19","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236075","11.0258","0.0003","13.85","0.0004","16.0177","0.0004","74.074","0.001","89.742","0.001","77.291","0.001","2290.43","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Poly[dibutylbis(μ~2~-hydrogen phenylphosphonato)stannate(IV)]","Poly[tetrabutyltetrakis(μ~2~-hydrogen phenylphosphonato)ditin(IV)","","- C40 H60 O12 P4 Sn2 -","- C40 H60 O12 P4 Sn2 -","- C80 H120 O24 P8 Sn4 -","2","1","BH2452","Sarr, Modou; Diasse-Sarr, Aminata; Diop, Libasse; Molloy, Kieran C.; Kociok-Kohn, Gabriele","Poly[tetrabutyltetrakis(μ~2~-hydrogen phenylphosphonato)ditin(IV)]","Acta Crystallographica Section E","2012","68","11","m1334","","10.1107/S1600536812040834","","","0.71073","MoKα","","0.0724","0.0526","","","0.1288","0.142","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236076","10.54","0.002","12.927","0.003","13.751","0.003","90","","109.74","0.03","90","","1763.5","0.7","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6- dihydropyrimidine-4-carboxylate","","- C18 H21 N3 O6 -","- C18 H21 N3 O6 -","- C72 H84 N12 O24 -","4","1","BH2453","Shang, Zhenhua; Tao, Xiao; Ha, Jing; Yu, Fuda","Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate","Acta Crystallographica Section E","2012","68","11","o3175","","10.1107/S160053681204233X","","","0.71073","MoKα","","0.0494","0.0345","","","0.0872","0.0928","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236077","7.0284","0.0014","7.5836","0.0015","13.276","0.003","104.74","0.03","91.19","0.03","116.03","0.03","607.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato- κ^3^N,O^2^:O^3^] monohydrate]","","- C11 H11 Cu N O7 -","- C11 H11 Cu N O7 -","- C22 H22 Cu2 N2 O14 -","2","1","BH2454","Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Wang, Zhi-kun; Li, Bing","catena-Poly[[[diaquacopper(II)]-μ-quinoline-2,3-dicarboxylato-κ^3^N,O^2^:O^3^] monohydrate]","Acta Crystallographica Section E","2012","68","11","m1395","","10.1107/S1600536812043206","","","0.71073","MoKα","","0.0432","0.037","","","0.0976","0.1039","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236078","12.589","0.003","8.1026","0.0017","25.231","0.006","90","","105.174","0.002","90","","2483.9","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[chlorido[1-(3-nitrophenyl)-2- (triphenylphosphoranylidene)ethanone-κC^2^]mercury(II)]-μ-chlorido]","","- C26 H20 Cl2 Hg N O3 P -","- C26 H20 Cl2 Hg N O3 P -","- C104 H80 Cl8 Hg4 N4 O12 P4 -","4","1","BH2457","Dadrass, Alireza; Khalafy, Jabbar; Rahchamani, Hojjatollah; Nasri Koureh, Hassan; Yaghoobnejad Asl, Hooman","catena-Poly[[chlorido[1-(3-nitrophenyl)-2-(triphenylphosphoranylidene)ethanone-κC^2^]mercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2012","68","11","m1400","m1401","10.1107/S1600536812043073","","","0.71073","MoKα","","0.0336","0.0253","","","0.0634","0.0667","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236079","14.929","0.002","5.9086","0.0008","17.071","0.003","90","","104.03","0.014","90","","1460.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea","","- C16 H12 N2 O S2 -","- C16 H12 N2 O S2 -","- C64 H48 N8 O4 S8 -","4","1","BQ2371","Singh, Durga P.; Pratap, Seema; Gupta, Sushil K.; Butcher, Ray J.","1-(Naphthalen-1-yl)-3-[(thiophen-2-yl)carbonyl]thiourea","Acta Crystallographica Section E","2012","68","10","o2882","o2883","10.1107/S1600536812035350","","","0.71073","MoKα","","0.0956","0.0492","","","0.1104","0.1651","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236080","6.7337","0.0006","18.123","0.0014","9.8216","0.0008","90","","104.918","0.003","90","","1158.18","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N,N',N'-Tetramethylphthalamide","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","2","BQ2372","Hamada, Adel; Boudinar, Yamina; Beghidja, Adel; Boutebdja, Mehdi","N,N,N',N'-Tetramethylphthalamide","Acta Crystallographica Section E","2012","68","9","o2710","","10.1107/S1600536812035167","","","0.71073","MoKα","","0.0552","0.0488","","","0.1183","0.1235","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236081","15.08","0.0004","14.0134","0.0004","8.2419","0.0002","90","","94.609","0.002","90","","1736.06","0.08","105","2","105","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-butoxy-N'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","BQ2373","Dilek, Nefise; Gunes, Bilal; Gup, Ramazan","4-Butoxy-N'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2763","","10.1107/S1600536812035921","","","0.71073","MoKα","","0.0435","0.0389","","","0.0975","0.1011","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236082","9.8768","0.0003","9.4403","0.0003","12.5157","0.0003","90","","90.24","0.002","90","","1166.95","0.06","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","","- C8 H7 Cl3 N2 O3 -","- C8 H7 Cl3 N2 O3 -","- C32 H28 Cl12 N8 O12 -","4","2","BQ2374","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate","Acta Crystallographica Section E","2012","68","9","o2733","","10.1107/S1600536812035507","","","0.71073","MoKα","","0.0781","0.0686","","","","0.1987","","","","","","1.036","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2236083","11.928","0.0004","26.1702","0.0014","6.9656","0.0003","90","","90","","90","","2174.37","0.17","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H30 N O3 -","- C25 H30 N O3 -","- C100 H120 N4 O12 -","4","0.5","BQ2375","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2999","","10.1107/S1600536812039840","","","0.71073","MoKα","","0.0686","0.0471","","","0.1209","0.1328","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236084","7.0245","0.0014","7.3436","0.0015","11.547","0.002","86.35","0.03","77.78","0.03","64.55","0.03","525.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(6-chloropyridine-3-carboxylato-κO)nickel(II) tetrahydrate","","- C12 H22 Cl2 N2 Ni O12 -","- C12 H22 Cl2 N2 Ni O12 -","- C12 H22 Cl2 N2 Ni O12 -","1","0.5","BQ2376","Xia, Qiao-Hua; Guo, Zhong-Fu; Liu, Li; Lv, Jian-Quan; Li, Bing","Tetraaquabis(6-chloropyridine-3-carboxylato-κO)nickel(II) tetrahydrate","Acta Crystallographica Section E","2012","68","11","m1393","","10.1107/S160053681204322X","","","0.71073","MoKα","","0.0309","0.0277","","","0.0737","0.0762","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236085","11.5421","0.0002","17.3191","0.0003","26.6667","0.0005","90","","90","","90","","5330.64","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylphenyl quinoline-2-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C272 H208 N16 O32 -","16","2","BQ2377","Fazal, E.; Jasinski, Jerry P.; Krauss, Shannon T.; Sudha, B. S.; Yathirajan, H. S.","4-Methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3231","o3232","10.1107/S1600536812044030","","","1.54184","CuKα","","0.0561","0.0442","","","0.1141","0.1239","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236086","12.6481","0.0009","11.6659","0.0006","10.4922","0.0007","90","","105.891","0.007","90","","1488.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl- κN)-1H-1,2,4-triazol-1-ido-κN^1^}zinc","","- C32 H26 N12 O2 Zn -","- C32 H26 N12 O2 Zn -","- C64 H52 N24 O4 Zn2 -","2","0.5","BR2206","Wang, You-Song; Qiu, Guang-Mei; Wang, Cui-Juan","Diaquabis{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-κN)-1H-1,2,4-triazol-1-ido-κN^1^}zinc","Acta Crystallographica Section E","2012","68","9","m1182","m1183","10.1107/S1600536812035428","","","0.71073","MoKα","","0.0887","0.049","","","0.0907","0.1087","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236087","10.3915","0.0001","10.3915","0.0001","13.6273","0.0002","90","","90","","120","","1274.37","0.03","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","hexalead(II) nonacobalt(II) pentatellurate(VI)","","- Co9 O30 Pb6 Te5 -","- Co9 O30 Pb6 Te5 -","- Co18 O60 Pb12 Te10 -","2","0.166667","BR2208","Artner, Christine; Weil, Matthias","Pb~6~Co~9~(TeO~6~)~5~","Acta Crystallographica Section E","2012","68","9","i71","","10.1107/S1600536812037038","","","0.71073","MoKα","","0.0335","0.0246","","","0.0545","0.0559","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236088","4.2129","0.0002","25.6317","0.0011","6.0385","0.0002","90","","90","","90","","652.06","0.05","100","2","100","","","","","","","","","3","C m c m","-C 2c 2","63","","Caesium diuranium hexatelluride","","- Cs Te6 U2 -","- Cs Te6 U2 -","- Cs2 Te12 U4 -","2","0.125","BR2209","Mesbah, Adel; Ibers, James A.","Caesium diuranium hexatelluride","Acta Crystallographica Section E","2012","68","10","i76","","10.1107/S1600536812038512","","","0.71073","MoKα","","0.0232","0.0216","","","0.0528","0.0533","","","","","","1.222","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236089","14.4779","0.0005","28.57","0.0015","8.0854","0.0003","90","","90","","90","","3344.4","0.2","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acetato-κ^2^O,O')(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc","","- C16 H18 N2 O4 Zn -","- C16 H18 N2 O4 Zn -","- C128 H144 N16 O32 Zn8 -","8","0.5","BR2212","Harvey, Miguel A.; Suarez, Sebastian A.; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo","Bis(acetato-κ^2^O,O')(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')zinc","Acta Crystallographica Section E","2012","68","11","m1377","m1378","10.1107/S1600536812042699","","","0.71073","MoKα","","0.0281","0.0255","","","","0.068","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236090","8.2831","0.0002","13.1532","0.0004","11.5255","0.0003","90","","104.128","0.003","90","","1217.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","O,O'-2,2,4-trimethyl-1,3-pentanedithiophosphoric acid","4-Isopropyl-5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinane 2-sulfide","","- C8 H17 O2 P S2 -","- C8 H17 O2 P S2 -","- C32 H68 O8 P4 S8 -","4","1","BT5962","Srivastava, Sanjay K.; Sharma, Pooja; Gupta, Sushil K.; Butcher, Ray J.","4-Isopropyl-5,5-dimethyl-2-sulfanyl-1,3,2-dioxaphosphinane 2-sulfide","Acta Crystallographica Section E","2012","68","9","o2667","","10.1107/S1600536812030188","","","0.71073","MoKα","","0.054","0.0383","","","0.0862","0.0936","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236091","15.7324","0.0006","10.7988","0.0005","20.4877","0.0011","90","","90","","90","","3480.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[2-(3,4-Dimethoxybenzoyl)benzoyl]thiophene","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C160 H128 O32 S8 -","8","1","BT5963","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","10","o2844","","10.1107/S1600536812037336","","","0.71073","MoKα","","0.0689","0.0397","","","0.0927","0.1074","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236092","6.9433","0.0003","12.0112","0.0004","15.2129","0.0005","90","","94.129","0.003","90","","1265.42","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C68 H44 N4 O12 -","4","1","BT5965","Brandy, Yakini; Butcher, Ray J.; Bakare, Oladapo","N-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide","Acta Crystallographica Section E","2012","68","9","o2775","o2776","10.1107/S1600536812034150","","","1.54178","CuKα","","0.0613","0.0516","","","0.1358","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236093","13.3314","0.0011","13.5952","0.0012","10.6649","0.0009","90","","90","","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κSe)(dimethyl sulfide-κS)(0.65/0.35)]niobium(III)}(Nb—Nb)","","- C6 H18 Cl6 Nb2 S1.7 Se1.3 -","- C6 H18.0024 Cl6 Nb2 S1.706 Se1.294 -","- C24 H72.0096 Cl24 Nb8 S6.824 Se5.176 -","4","0.5","BT5971","Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira; Ng, Seik Weng","Di-μ-chlorido-μ-(dimethyl sulfide)-bis{dichlorido[(dimethyl selenide-κSe)(dimethyl sulfide-κS)(0.65/0.35)]niobium(III)}(Nb—Nb)","Acta Crystallographica Section E","2012","68","9","m1166","","10.1107/S1600536812033673","","","0.71073","MoKα","","0.0271","0.023","","","0.0546","0.0567","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236094","28.5467","0.0012","5.5321","0.0002","19.4158","0.0008","90","","101.6","0.002","90","","3003.6","0.2","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N-benzyl-N-(2-phenylethyl)dithiocarbamato- κ^2^S,S']lead(II)","","- C32 H32 N2 Pb S4 -","- C32 H32 N2 Pb S4 -","- C128 H128 N8 Pb4 S16 -","4","0.5","BT5972","Sathiyaraj, E.; Thirumaran, S.; Selvanayagam, S.","Bis[N-benzyl-N-(2-phenylethyl)dithiocarbamato-κ^2^S,S']lead(II)","Acta Crystallographica Section E","2012","68","9","m1217","","10.1107/S1600536812036161","","","0.71073","MoKα","","0.0417","0.0278","","","0.0583","0.0622","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236095","10.7058","0.0016","7.2541","0.0011","22.091","0.003","90","","90.971","0.002","90","","1715.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-N',N''-bis(2-methylphenyl)phosphoric triamide monohydrate","","- C16 H24 N3 O2 P -","- C16 H24 N3 O2 P -","- C64 H96 N12 O8 P4 -","4","1","BT5974","Eslami, Farnaz; Pourayoubi, Mehrdad; Yousefi, Mohammad; Rheingold, Arnold L.; Golen, James A.","N,N-Dimethyl-N',N''-bis(2-methylphenyl)phosphoric triamide monohydrate","Acta Crystallographica Section E","2012","68","9","o2650","","10.1107/S1600536812033995","","","0.71073","MoKα","","0.0595","0.0429","","","0.103","0.1151","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236096","13.014","0.002","13.014","0.002","21.167","0.003","90","","90","","90","","3584.9","0.9","100","0.5","100","0.5","101.3","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1R,4R,5aS,7S,9aS)-7,9a-Dimethyl- 6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a- decahydronaphtho[1,2-c]furan-1,4-diyl diacetate","","- C19 H24 O6 -","- C19 H24 O6 -","- C152 H192 O48 -","8","1","BT5979","Mudyiwa, Mercy; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.","(1R,4R,5aS,7S,9aS)-7,9a-Dimethyl-6-methylene-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-1,4-diyl diacetate","Acta Crystallographica Section E","2012","68","9","o2612","o2613","10.1107/S1600536812033636","","","0.71073","MoKα","","","0.0358","","","","0.0923","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236097","10.2487","0.0005","10.4643","0.0005","10.5489","0.0005","109.238","0.001","111.401","0.001","98.0304","0.0011","950.03","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H- pyrazol-5-amine","","- C20 H12 Cl3 F N4 -","- C20 H12 Cl3 F N4 -","- C40 H24 Cl6 F2 N8 -","2","1","BT5984","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-(4-Fluorophenyl)-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","9","o2603","","10.1107/S1600536812033569","","","0.71073","MoKα","","0.0391","0.0313","","","0.0745","0.0791","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236098","11.3835","0.0009","16.984","0.0013","18.4766","0.0014","90","","90","","90","","3572.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3- dicarbonitrile","","- C20 H18 Cl N3 -","- C20 H18 Cl N3 -","- C160 H144 Cl8 N24 -","8","1","BT5985","Rajni Swamy, V.; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R.V.","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2692","","10.1107/S1600536812034861","","","0.71073","MoKα","","0.0554","0.0445","","","0.1264","0.1365","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236099","8.5209","0.0004","7.5959","0.0004","23.7877","0.0013","90","","99.611","0.003","90","","1518.02","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","BT5986","Dinakaran, Paul M.; Kalainathan, S.; Srinivasan, T.; Velmurugan, D.","1-Ethoxy-2-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene","Acta Crystallographica Section E","2012","68","9","o2774","","10.1107/S1600536812034320","","","0.71073","MoKα","","0.061","0.0448","","","0.1223","0.138","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236100","9.0292","0.0006","9.6498","0.0007","15.878","0.001","90","","103.763","0.008","90","","1343.73","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT5988","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2627","","10.1107/S1600536812034009","","","0.71073","MoKα","","0.0499","0.0406","","","0.1013","0.1076","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236101","6.553","0.0002","15.8719","0.0005","14.5804","0.0004","90","","91.147","0.001","90","","1516.18","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","BT5989","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Bukhari, Iftikhar Hussain; Bokhari, Tanveer Hussain","2-{[2-(1-Methyl-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazin-4-ylidene)hydrazin-1-ylidene]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2643","","10.1107/S1600536812034101","","","0.71073","MoKα","","0.0512","0.0385","","","0.1027","0.1141","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236102","9.2409","0.0007","15.1531","0.0009","10.5376","0.0008","90","","107.775","0.008","90","","1405.12","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT5990","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2649","","10.1107/S160053681203423X","","","0.71073","MoKα","","0.0734","0.0525","","","0.1036","0.1139","","","","","","1.21","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236103","10.9155","0.0002","9.4056","0.0002","25.0422","0.0005","90","","90","","90","","2571","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(E)-(4-Ethoxyphenyl)iminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BT5991","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","4-[(E)-(4-Ethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2646","","10.1107/S1600536812034253","","","1.5418","CuKα","","0.0339","0.0306","","","0.0998","0.1033","","","","","","1.71","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236104","13.893","0.003","11.771","0.003","22.191","0.005","90","","91.401","0.004","90","","3627.9","1.5","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl(2-hydroxyethyl)azanium 4-[(1,3-thiazol-2-ylazanidyl)sulfonyl]aniline","","- C15 H24 N4 O3 S2 -","- C15 H24 N4 O3 S2 -","- C120 H192 N32 O24 S16 -","8","2","BT5992","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","tert-Butyl(2-hydroxyethyl)azanium 4-[(1,3-thiazol-2-ylazanidyl)sulfonyl]aniline","Acta Crystallographica Section E","2012","68","9","o2662","o2663","10.1107/S1600536812034459","","","0.71073","MoKα","","0.064","0.0549","","","0.1266","0.1364","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236105","6.2467","0.0012","10.394","0.002","11.971","0.002","90","","92.42","0.03","90","","776.6","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N'-[(E)-2-Hydroxy-5-iodobenzylidene]-4- methylbenzenesulfonohydrazide","","- C14 H13 I N2 O3 S -","- C14 H13 I N2 O3 S -","- C28 H26 I2 N4 O6 S2 -","2","1","BT5993","Ghorbanloo, Massomeh; Notash, Behrouz","N'-[(E)-2-Hydroxy-5-iodobenzylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2012","68","9","o2760","","10.1107/S1600536812035738","","","0.71073","MoKα","","0.0632","0.0463","","","0.1086","0.1144","","","","","","0.916","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236106","8.3861","0.0017","9.5795","0.0019","12.275","0.003","90.446","0.003","97.85","0.003","101.688","0.003","956","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-N'-(5-bromo-3-methoxy-2- oxidobenzylidene)-2-hydroxybenzohydrazidato]bis[(N,N- dimethylformamide)copper(II)]","","- C36 H36 Br2 Cu2 N6 O10 -","- C36 H36 Br2 Cu2 N6 O10 -","- C36 H36 Br2 Cu2 N6 O10 -","1","0.5","BT5995","Zhao, Shunsheng; Li, Lanlan; Liu, Xiangrong; Feng, Weixu; Lü, Xingqiang","Bis[μ-N'-(5-bromo-3-methoxy-2-oxidobenzylidene)-2-hydroxybenzohydrazidato]bis[(N,N-dimethylformamide)copper(II)]","Acta Crystallographica Section E","2012","68","9","m1216","","10.1107/S1600536812036100","","","0.71073","MoKα","","0.0678","0.04","","","0.1094","0.1229","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236107","16.8176","0.0009","8.1654","0.0004","18.3841","0.0009","90","","113.303","0.006","90","","2318.6","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[7-(3,5-Dibromo-2-hydroxyphenyl)-6-ethoxycarbonyl-2-oxo-5H-2,3,6,7- tetrahydrothiopyrano[2,3-d][1,3]thiazol-6-yl]acetic acid ethanol monosolvate","","- C19 H21 Br2 N O7 S2 -","- C19 H21 Br2 N O7 S2 -","- C76 H84 Br8 N4 O28 S8 -","4","1","BT5997","Kowiel, M.; Zelisko, N.; Atamanyuk, D.; Lesyk, R.; Gzella, A. K.","2-[7-(3,5-Dibromo-2-hydroxyphenyl)-6-ethoxycarbonyl-2-oxo-5H-2,3,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-6-yl]acetic acid ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2721","o2722","10.1107/S1600536812035325","","","0.71073","MoKα","","0.035","0.0268","","","0.0722","0.0734","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236108","5.3084","0.0003","9.5507","0.0007","31.315","0.002","90","","90","","90","","1587.64","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-benzenesulfonamido-4-methylpentanoate","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","BT5998","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","Ethyl 2-benzenesulfonamido-4-methylpentanoate","Acta Crystallographica Section E","2012","68","10","o2874","","10.1107/S1600536812037658","","","0.71073","MoKα","","0.0458","0.0385","","","0.0932","0.0978","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236109","6.8715","0.0005","12.0783","0.0007","14.3772","0.001","112.85","0.006","98.56","0.005","97.48","0.005","1063.97","0.14","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate","","- C51 H44 N4 O10 -","- C51 H44 N4 O10 -","- C51 H44 N4 O10 -","1","0.5","BT5999","Leonarska, Agnieszka; Zubko, Maciej; Kuś, Piotr; Kusz, Joachim; Ratuszna, Alicja","meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate","Acta Crystallographica Section E","2012","68","9","o2797","o2798","10.1107/S1600536812036495","","","1.54184","CuKα","","0.0473","0.0383","","","0.098","0.1042","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236110","13.0069","0.0011","10.0775","0.0009","22.408","0.002","90","","90","","90","","2937.2","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C112 H104 Cl16 N8 O16 S8 -","8","1","BT6820","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","2,5-Dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2748","","10.1107/S1600536812035787","","","0.71073","MoKα","","0.058","0.0357","","","0.0806","0.0901","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236111","11.2139","0.0004","10.4347","0.0004","22.1753","0.0009","90","","94.569","0.001","90","","2586.57","0.17","90","0.5","90","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Anilino-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile","","- C15 H13 N5 -","- C15 H13 N5 -","- C120 H104 N40 -","8","2","BT6821","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; El-Remaily, Mahmoud A. A.; Abdelhamid, Antar A.","2-Anilino-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2782","o2783","10.1107/S1600536812035878","","","0.71073","MoKα","","0.0636","0.0423","","","0.1034","0.1156","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236112","9.6019","0.0007","13.0688","0.001","9.6412","0.0007","90","","103.853","0.001","90","","1174.64","0.15","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(4-Chlorophenyl)-4-nitrobenzamide","N-(4-Chlorophenyl)-4-nitrobenzamide","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","BT6822","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Butt, M.Saeed; Hussain, Rizwan","N-(4-Chlorophenyl)-4-nitrobenzamide","Acta Crystallographica Section E","2012","68","9","o2768","","10.1107/S1600536812036082","","","0.71073","MoKα","","0.0459","0.0422","","","0.1128","0.1158","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236113","16.8415","0.0009","14.1497","0.0007","18.6919","0.0008","90","","90","","90","","4454.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","","- C25 H23 Cl2 P Ru -","- C25 H23 Cl2 P Ru -","- C200 H184 Cl16 P8 Ru8 -","8","1","BT6823","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","Acta Crystallographica Section E","2012","68","10","m1232","m1233","10.1107/S1600536812037154","","","0.71073","MoKα","","0.0586","0.0316","","","0.0601","0.0685","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236114","14.106","0.001","7.0082","0.0005","14.854","0.002","90","","110.84","0.01","90","","1372.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Methylphenyl)-4-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","BT6824","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2-Methylphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2766","","10.1107/S1600536812036331","","","0.71073","MoKα","","0.0626","0.0462","","","0.1071","0.1194","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236115","11.5966","0.0003","11.8658","0.0003","20.9383","0.0006","90","","90.616","0.002","90","","2881.01","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Ferrocen-1-ylcarbonyl)-1-methyl-4-(4-methylphenyl)spiro[pyrrolidine-2,11'- indeno[1,2-b]quinoxaline]","","- C37 H31 Fe N3 O -","- C37 H31 Fe N3 O -","- C148 H124 Fe4 N12 O4 -","4","1","BT6825","Vijayakumar, B.; Gavaskar, D.; Srinivasan, T.; Raghunathan, R.; Velmurugan, D.","3-(Ferrocen-1-ylcarbonyl)-1-methyl-4-(4-methylphenyl)spiro[pyrrolidine-2,11'-indeno[1,2-b]quinoxaline]","Acta Crystallographica Section E","2012","68","10","m1274","","10.1107/S1600536812036951","","","0.71073","MoKα","","0.0582","0.0372","","","0.0985","0.1102","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236116","7.1777","0.0014","9.1672","0.0018","14.546","0.003","90","","101.92","0.03","90","","936.5","0.3","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Di-μ-chlorido-bis[(2-amino-4-methylpyridine)chloridomercury(II)]","","- C12 H16 Cl4 Hg2 N4 -","- C12 H16 Cl4 Hg2 N4 -","- C24 H32 Cl8 Hg4 N8 -","2","0.5","BT6826","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","Di-μ-chlorido-bis[(2-amino-4-methylpyridine-κN)chloridomercury(II)]","Acta Crystallographica Section E","2012","68","10","m1300","m1301","10.1107/S1600536812039803","","","0.71073","MoKα","","0.0621","0.0459","","","0.1051","0.1109","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236117","7.5013","0.0004","9.0509","0.0005","9.3452","0.0005","75.253","0.002","80.985","0.002","72.047","0.002","581.59","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Carboxyethyl)-5-ethyl-2-methylpyridinium chloride","","- C11 H16 Cl N O2 -","- C11 H16 Cl N O2 -","- C22 H32 Cl2 N2 O4 -","2","1","BT6827","Sabari, V.; Kalaiselvi, G.; Balasubramanian, S.; Aravindhan, S.","1-(2-Carboxyethyl)-5-ethyl-2-methylpyridinium chloride","Acta Crystallographica Section E","2012","68","10","o2937","","10.1107/S1600536812038809","","","0.71073","MoKα","","0.04","0.0327","","","0.0932","0.1018","","","","","","0.825","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236118","8.0846","0.0003","9.0149","0.0004","11.8995","0.0005","77.429","0.002","73.918","0.002","70.236","0.002","776.82","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate","","- C16 H10 Br2 O3 -","- C16 H10 Br2 O3 -","- C32 H20 Br4 O6 -","2","1","BT6828","Suresh Kumar, C.; Jagadeesan, G.; Dhamodaran, S.; Ananth, Karthik; Aravindhan, S.","2,6-Dibromo-4-formylphenyl 3-phenylprop-2-enoate","Acta Crystallographica Section E","2012","68","10","o2873","","10.1107/S1600536812037427","","","0.71073","MoKα","","0.0819","0.0411","","","0.0909","0.1065","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236119","10.1221","0.001","17.489","0.0017","17.7421","0.0018","90","","98.15","0.006","90","","3109.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Chlorobenzoyl)-2,3-diphenylisoxazolidin-5-yl]-1-(4-methoxyphenyl)- 3-phenylazetidin-2-one","","- C38 H31 Cl N2 O4 -","- C38 H31 Cl N2 O4 -","- C152 H124 Cl4 N8 O16 -","4","1","BT6829","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Prasanna, Ramanathan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4-[4-(4-Chlorobenzoyl)-2,3-diphenylisoxazolidin-5-yl]-1-(4-methoxyphenyl)-3-phenylazetidin-2-one","Acta Crystallographica Section E","2012","68","10","o2914","","10.1107/S1600536812038123","","","0.71073","MoKα","","0.096","0.0438","","","0.1035","0.1316","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236120","10.4105","0.0003","9.6218","0.0003","17.8497","0.0005","90","","106.113","0.002","90","","1717.73","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2-Benzoylphenyl)(naphthalen-1-yl)methanone","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","BT6830","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(2-Benzoylphenyl)(naphthalen-1-yl)methanone","Acta Crystallographica Section E","2012","68","10","o3012","","10.1107/S1600536812039098","","","0.71073","MoKα","","0.0648","0.0426","","","0.1163","0.1353","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236121","6.616","0.007","9.261","0.009","25.12","0.03","90","","90","","90","","1539","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S*,3S*,3aS*,6S*,7aR*)-3-Hydroxy- 2-[(2R*,3S*)-3-isopropyloxiran-2-yl]-3,6-dimethyl- 3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2H)-one","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","BT6831","Ding, Mingruo; Zhang, Qiaoyin; Chen, Lei; Huang, Nianyu; Wang, Junzhi","(2S*,3S*,3aS*,6S*,7aR*)-3-Hydroxy-2-[(2R*,3S*)-3-isopropyloxiran-2-yl]-3,6-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2H)-one","Acta Crystallographica Section E","2012","68","10","o2949","","10.1107/S1600536812038470","","","0.71073","MoKα","","0.0833","0.0665","","","0.17","0.1853","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236122","5.1948","0.0004","12.8089","0.0009","18.682","0.001","90","","93.419","0.007","90","","1240.88","0.15","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Nitro-N-phenylbenzenesulfonamide","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","BT6832","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","4-Nitro-N-phenylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2872","","10.1107/S1600536812037798","","","0.71073","MoKα","","0.0431","0.0366","","","0.0809","0.0859","","","","","","1.204","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236123","8.0626","0.0003","12.8693","0.0005","13.9968","0.0006","97.425","0.003","102.878","0.003","105.391","0.003","1337.31","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene","","- C50 H60 Cl8 O12 -","- C50 H60 Cl8 O12 -","- C50 H60 Cl8 O12 -","1","0.5","BT6833","Köysal, Yavuz; Öztürk Yildirim, Sema; Butcher, Ray J.; Düğdü, Esra","1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene","Acta Crystallographica Section E","2012","68","10","o2993","o2994","10.1107/S1600536812038299","","","0.71073","MoKα","","0.047","0.038","","","0.0848","0.0895","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236124","17.2328","0.0012","8.1885","0.0006","23.7049","0.0017","90","","90","","90","","3345","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 I O4 S -","- C16 H15 I O4 S -","- C128 H120 I8 O32 S8 -","8","1","BT6834","Viswanathan, Vijayan; Srinivasan, Thothadri; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","(E)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2921","","10.1107/S1600536812038226","","","0.71073","MoKα","","0.0369","0.0252","","","0.0576","0.0622","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236125","8.9683","0.0004","10.7916","0.0005","11.7219","0.0005","110.174","0.002","106.267","0.002","91.991","0.003","1011.32","0.08","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","BT6835","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; Marzouk, Adel A. E.; Abdelhamid, Antar A.","2-(3,4-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole","Acta Crystallographica Section E","2012","68","10","o2979","o2980","10.1107/S1600536812039566","","","0.71073","MoKα","","0.0752","0.0477","","","0.112","0.1274","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236126","9.5136","0.0007","10.7582","0.0007","11.6674","0.001","67.142","0.008","68.242","0.009","76.472","0.008","1016.32","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(3-tert-butylpyridine-κN)bis(4-tert-butylpyridine- κN)bis(thiocyanato-κN)cadmium","","- C38 H52 Cd N6 S2 -","- C38 H52 Cd N6 S2 -","- C38 H52 Cd N6 S2 -","1","0.5","BT6836","Reinert, Thorben; Jess, Inke; Näther, Christian","Bis(3-tert-butylpyridine-κN)bis(4-tert-butylpyridine-κN)bis(thiocyanato-κN)cadmium","Acta Crystallographica Section E","2012","68","11","m1372","","10.1107/S1600536812040081","","","0.71073","MoKα","","0.0637","0.0509","","","0.1194","0.1266","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236127","5.7778","0.0002","16.1804","0.0006","13.0855","0.0006","90","","94.685","0.003","90","","1219.24","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-1,3-thiocyanato-κN,S)(isonicotinato- κN,O)(ethanol-κO)cadmium(II)]","","- C9 H10 Cd N2 O3 S -","- C9 H10 Cd N2 O3 S -","- C36 H40 Cd4 N8 O12 S4 -","4","1","BT6838","Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian","Poly[(μ-1,3-thiocyanato-κN,S)(isonicotinato-κN,O)(ethanol-κO)cadmium(II)]","Acta Crystallographica Section E","2012","68","11","m1338","","10.1107/S1600536812040913","","","0.71073","MoKα","","0.034","0.0259","","","0.0581","0.0607","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236128","29.5164","0.0012","9.1388","0.0002","23.3008","0.0009","90","","124.803","0.003","90","","5161","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[(3RS,4SR)-1-Benzyl-4-methylpiperidin-3-yl]-1-(4- methylphenylsulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-amine","","- C27 H29 N5 O4 S -","- C27 H29 N5 O4 S -","- C216 H232 N40 O32 S8 -","8","1","BT6839","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","N-[(3RS,4SR)-1-Benzyl-4-methylpiperidin-3-yl]-1-(4-methylphenylsulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridin-4-amine","Acta Crystallographica Section E","2012","68","10","o3000","","10.1107/S160053681203961X","","","0.71073","MoKα","","0.0426","0.0352","","","0.0959","0.1006","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236129","17.3606","0.0019","10.0422","0.001","22.995","0.002","90","","100.965","0.003","90","","3935.7","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]- 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate","","- C21 H24 N5 O0.5 -","- C21 H24 N5 O0.5 -","- C168 H192 N40 O4 -","8","1","BT6840","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","1-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine hemihydrate","Acta Crystallographica Section E","2012","68","10","o3052","","10.1107/S1600536812039980","","","0.71073","MoKα","","0.0649","0.0448","","","0.0995","0.1088","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236130","17.2626","0.001","11.5411","0.0008","13.1313","0.0009","90","","98.443","0.003","90","","2587.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]- 5-nitro-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4-amine","","- C27 H29 N5 O4 S -","- C27 H29 N5 O4 S -","- C108 H116 N20 O16 S4 -","4","1","BT6841","Pfaffenrot, Ellen; Schollmeyer, Dieter; Laufer, Stefan","N-[(3RS,4RS)-1-Benzyl-4-methylpiperidin-3-yl]-5-nitro-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-4-amine","Acta Crystallographica Section E","2012","68","10","o3051","","10.1107/S1600536812039979","","","0.71073","MoKα","","0.0663","0.0386","","","0.1023","0.1172","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236131","8.921","0.005","10.235","0.004","25.256","0.003","90","","93.38","0.004","90","","2302","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-(1,3-Benzodioxol-5-yl)-2-{[N-(2-formylphenyl)- 4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","","- C25 H20 N2 O5 S -","- C25 H20 N2 O5 S -","- C100 H80 N8 O20 S4 -","4","1","BT6843","Bakthadoss, M.; Devaraj, A.; Madhanraj, R.; Murugavel, S.","(E)-3-(1,3-Benzodioxol-5-yl)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","Acta Crystallographica Section E","2012","68","11","o3164","o3165","10.1107/S1600536812042663","","","0.71073","MoKα","","0.1013","0.0503","","","0.1212","0.148","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236132","6.9879","0.0004","22.0074","0.0013","8.0554","0.0005","90","","92.796","0.001","90","","1237.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5-chloropyridinium 4-aminobenzoate","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","BT6844","Kannan, V.; Sugumar, P.; Brahadeeswaran, S.; Ponnuswamy, M. N.","2-Amino-5-chloropyridinium 4-aminobenzoate","Acta Crystallographica Section E","2012","68","11","o3187","","10.1107/S1600536812043085","","","0.71073","MoKα","","0.0458","0.0383","","","0.1058","0.1121","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236133","11.2646","0.0002","5.6471","0.0001","25.7507","0.0004","90","","99.595","0.001","90","","1615.15","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-{[1-(2,3,5-Tri-O-benzoyl-β-D-ribofuranos-1-yl)- 1H-1,2,3-triazol-4-yl]methyl}quinazolin-4(3H)-one","","- C37 H29 N5 O8 -","- C37 H29 N5 O8 -","- C74 H58 N10 O16 -","2","1","BT6845","Ouahrouch, Abdelaaziz; Taourirte, Moha; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","3-{[1-(2,3,5-Tri-O-benzoyl-β-D-ribofuranos-1-yl)-1H-1,2,3-triazol-4-yl]methyl}quinazolin-4(3H)-one","Acta Crystallographica Section E","2012","68","11","o3166","","10.1107/S1600536812042778","","","0.71073","MoKα","","0.0475","0.0332","","","0.0746","0.0812","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236134","7.7985","0.0002","11.6028","0.0003","14.6819","0.0002","90","","111.279","0.001","90","","1237.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetylacetonato-κ^2^O,O')dichloridobis(methanolato- κO)niobium(V)","","- C7 H13 Cl2 Nb O4 -","- C7 H13 Cl2 Nb O4 -","- C28 H52 Cl8 Nb4 O16 -","4","1","BT6846","Herbst, Leandra; Visser, Hendrik G.; Roodt, Andreas; Pretorius, Carla","(Acetylacetonato-κ^2^O,O')dichloridobis(methanolato-κO)niobium(V)","Acta Crystallographica Section E","2012","68","11","m1392","","10.1107/S1600536812042638","","","0.71069","MoKα","","0.027","0.026","","","","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236135","11.9421","0.0014","9.6419","0.0011","11.7694","0.0013","90","","93.504","0.002","90","","1352.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-amine","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","BT6847","Hernández-Ortega, Simón; Cuenú-Cabezas, Fernando; Abonia-González, Rodrigo; Cabrera-Ortiz, Armando","3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-amine","Acta Crystallographica Section E","2012","68","11","o3171","","10.1107/S1600536812042791","","","0.71073","MoKα","","0.0485","0.0403","","","0.1096","0.1146","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236136","5.8842","0.0004","7.1173","0.0006","17.2313","0.0016","93.802","0.007","97.998","0.007","95.363","0.007","709.19","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","1-(1-Benzofuran-2-yl)ethanone O-(4-chlorobenzyl)oxime","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C34 H28 Cl2 N2 O4 -","2","1","BT6848","Kosmalski, Tomasz; Gzella, Andrzej K.","1-(1-Benzofuran-2-yl)ethanone O-(4-chlorobenzyl)oxime","Acta Crystallographica Section E","2012","68","11","o3178","","10.1107/S1600536812042675","","","0.71073","MoKα","","0.0695","0.056","","","0.1292","0.1374","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236137","8.7676","0.0002","8.8221","0.0009","39.118","0.004","90","","93.582","0.005","90","","3019.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate) hemihydrate","","- C30 H23 Cl2 N6 O8.5 Ru -","- C30 H23 Cl2 N6 O8.5 Ru -","- C120 H92 Cl8 N24 O34 Ru4 -","4","1","BT6849","Kozlowska, Mariana; Rodziewicz, Pawel; Brus, Diana Malgorzata; Breczko, Joanna; Brzezinski, Krzysztof","Bis(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate) hemihydrate","Acta Crystallographica Section E","2012","68","11","m1414","m1415","10.1107/S1600536812043917","","","0.71073","MoKα","","0.0451","0.0423","","","0.0812","0.0826","","","","","","1.272","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236138","10.8648","0.0006","11.1477","0.0006","16.2075","0.0007","72.084","0.004","89.037","0.004","62.084","0.006","1631.47","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(4-Nitrobenzylidene)-2,2-diphenylhydrazine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","2","BT6850","Mendoza, Angel; Meléndrez-Luevano, Ruth; Cabrera-Vivas, Blanca M.; Acoltzi-X, Claudia; Flores-Alamo, Marcos","(E)-1-(4-Nitrobenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2012","68","11","o3238","","10.1107/S1600536812043681","","","0.71073","MoKα","","0.0809","0.0383","","","","0.1002","","","","","","0.886","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236139","20.52","0.003","5.7237","0.0007","11.22","0.002","90","","122.009","0.005","90","","1117.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(±)-(rel-3R,3'R)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'- dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C40 H64 N8 S8 -","4","0.5","BT6851","Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.","(±)-(rel-3R,3'R)-1,1'-Dimethyl-3,3'-bipyrrolidine-2,2'-dithione","Acta Crystallographica Section E","2012","68","11","o3211","","10.1107/S1600536812043498","","","0.71073","MoKα","","","0.0295","","","","0.0765","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236140","19.9481","0.0013","19.9481","0.0013","7.341","0.0007","90","","90","","90","","2921.2","0.4","100","","100","","","","","","","","","3","P 42","P 4c","77","3-epi-Dammarenediol II 1.075 hydrate","3α,20(S)-Dihydroxydammar-24-ene 1.075 hydrate","","- C30 H54.14 O3.07 -","- C30 H54.14 O3.07 -","- C120 H216.56 O12.28 -","4","1","BV2209","Fun, Hoong-Kun; Chantrapromma, Suchada; Supriadin, Asep; Harneti, Desi; Supratman, Unang","3-epi-Dammarenediol II 1.075 hydrate: a dammarane triterpene from the bark of Aglaia eximia","Acta Crystallographica Section E","2012","68","11","o3089","o3090","10.1107/S1600536812040366","","","0.71073","MoKα","","0.0698","0.0582","","","0.1502","0.1616","","","","","","1.073","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236141","12.402","0.0018","13.7808","0.0019","9.3919","0.001","90","","96.813","0.007","90","","1593.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-N-\ phenylhydrazinecarboxamide monohydrate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C64 H76 N12 O16 -","4","1","BV2210","Annie, C. F.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2E)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-N-phenylhydrazinecarboxamide monohydrate","Acta Crystallographica Section E","2012","68","10","o2985","o2986","10.1107/S1600536812039414","","","0.71073","MoKα","","0.0837","0.0527","","","0.1404","0.1719","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236142","9.6757","0.0003","12.1582","0.0004","12.5129","0.0005","88.178","0.002","82.616","0.002","78.072","0.002","1428.26","0.09","100","0.5","100","0.5","101.3","","","","","","","4","P -1","-P 1","2","5,7,8,10,11,13,14,16-Octahydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-\ dietheno[9,12,6,15]benzodioxadiazacyclodocosine","21,24,29,32-Tetraoxa-1,18- diazapentacyclo[16.8.8.2^3,6^.2^13,16^.0^7,12^]octatriaconta- 3,5,7(12),8,10,13,15,35,37-nonaene","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","1","BV2212","Barnett, Heath A.; Fronczek, Frank R.; Watkins, Steven F.","5,7,8,10,11,13,14,16-Octahydro-6,15-(ethanoxyethanoxyethano)-1,4:17,20-dietheno[9,12,6,15]benzodioxadiazacyclodocosine","Acta Crystallographica Section E","2012","68","11","o3239","","10.1107/S1600536812044017","","","0.71073","MoKα","","","0.0448","","","","0.1149","","","","","","0.806","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236143","9.2288","0.0002","9.479","0.0002","10.4939","0.0002","67.396","0.001","89.933","0.001","82.373","0.001","838.74","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfinyl)-2-phenyl-1-benzofuran","","- C20 H12 Br F O2 S -","- C20 H12 Br F O2 S -","- C40 H24 Br2 F2 O4 S2 -","2","1","BV2213","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfinyl)-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3242","","10.1107/S1600536812044054","","","0.71073","MoKα","","0.036","0.0301","","","0.0754","0.0786","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236144","9.486","0.002","19.542","0.005","17.635","0.004","90","","104.803","0.004","90","","3160.6","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[1-(ethoxycarbonylmethyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","","- C26 H24 N6 Ni O4 S4 -","- C26 H24 N6 Ni O4 S4 -","- C104 H96 N24 Ni4 O16 S16 -","4","1","BX2420","Ren, Tian-li; Yang, Cheng-jian; Fang, De-yu; Shi, Guo-xun; Zhu, Xue","Bis[1-(ethoxycarbonylmethyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","Acta Crystallographica Section E","2012","68","9","m1151","","10.1107/S1600536812033831","","","0.71073","MoKα","","0.0554","0.0432","","","0.1099","0.1143","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236145","9.2241","0.0001","9.2241","0.0001","23.7787","0.0005","90","","90","","120","","1752.13","0.05","120","0.5","120","0.5","101.3","","","","","","","4","P 32 2 1","P 32 2""","154","","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","","- C24 H26 O2 Si2 -","- C24 H26 O2 Si2 -","- C72 H78 O6 Si6 -","3","0.5","BX2422","Sparrow, Christopher R.; Fronczek, Frank R.; Watkins, Steven F.","1,2-Bis{2-[2-(trimethylsilyl)ethynyl]phenyl}ethane-1,2-dione","Acta Crystallographica Section E","2012","68","9","o2809","","10.1107/S160053681203663X","","","0.71073","MoKα","","","0.0433","","","","0.1025","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236146","9.8244","0.0004","12.7193","0.0005","15.763","0.0006","90","","95.474","0.002","90","","1960.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (3R*,3'S*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","BX2423","Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.","Methyl (3R*,3'S*)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2012","68","10","o2902","o2903","10.1107/S1600536812037440","","","0.71073","MoKα","","0.0639","0.0426","","","0.0976","0.1095","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236147","30.2999","0.0009","5.2132","0.0002","11.6058","0.0004","90","","91.153","0.002","90","","1832.87","0.11","119.9","0.6","119.9","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3-benzoxazine) monohydrate","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C80 H104 N8 O20 -","4","0.5","BX2424","Rivera, Augusto; Camacho, Jairo; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","3,3'-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3-benzoxazine) monohydrate","Acta Crystallographica Section E","2012","68","9","o2734","","10.1107/S1600536812035519","","","1.5418","CuKα","","0.0349","0.03","","","0.0905","0.0943","","","","","","1.75","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236148","14.717","0.006","10.631","0.004","7.375","0.003","90","","90","","90","","1153.9","0.8","93","2","93","2","","","","","","","","4","C m c 21","C 2c -2","36","","10-(Prop-1-yn-1-yl)-10H-phenothiazine","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","0.5","BX2425","Umezono, Satoru; Okuno, Tsunehisa","10-(Prop-1-yn-1-yl)-10H-phenothiazine","Acta Crystallographica Section E","2012","68","9","o2790","","10.1107/S1600536812036537","","","0.71075","MoKα","","0.0261","0.0252","","","0.0637","0.0645","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236149","16.3842","0.0004","13.1678","0.0003","21.2743","0.0004","90","","90","","90","","4589.8","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Guanidinium dioxidobis(picolinato-κ^2^N,O)(picolinato-κO)uranate(VI)","","- C19 H18 N6 O8 U -","- C19 H18 N6 O8 U -","- C152 H144 N48 O64 U8 -","8","1","CV5297","Mishkevich, Vitalii I.; Grigoriev, Mikhail S.; Fedosseev, Alexandre M.; Moisy, Philippe","Guanidinium dioxidobis(picolinato-κ^2^N,O)(picolinato-κO)uranate(VI)","Acta Crystallographica Section E","2012","68","10","m1243","","10.1107/S1600536812035465","","","0.71073","MoKα","","0.0907","0.0354","","","0.061","0.0749","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236150","10.249","0.002","13.182","0.003","13.435","0.003","90","","90","","90","","1815.1","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","","- C23 H25 N O -","- C23 H25 N O -","- C92 H100 N4 O4 -","4","1","CV5314","Huang, Yao","1-[(2-Methylpiperidin-1-yl)(phenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","10","o2943","","10.1107/S1600536812038652","","","0.71073","MoKα","","0.0733","0.0542","","","0.142","0.1624","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236151","5.4312","0.0004","21.493","0.002","11.3892","0.0009","90","","92.362","0.003","90","","1328.36","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-Amino-2,4-dinitrophenyl)pyridinium chloride monohydrate","","- C11 H11 Cl N4 O5 -","- C11 H11 Cl N4 O5 -","- C44 H44 Cl4 N16 O20 -","4","1","CV5319","Babykala, Rajamanickam; Kalaivani, Doraisamyraja","1-(5-Amino-2,4-dinitrophenyl)pyridinium chloride monohydrate","Acta Crystallographica Section E","2012","68","10","o2941","","10.1107/S1600536812038834","","","0.71073","MoKα","","0.0571","0.0383","","","0.0999","0.1117","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236152","8.5294","0.0001","9.3097","0.0001","19.8115","0.0003","87.999","0.001","78.091","0.001","79.461","0.001","1513.32","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","1-(6-Chloro-1,3-benzothiazol-2-yl)-2-[1-(4-methoxyphenyl)ethylidene]hydrazine","","- C16 H14 Cl N3 O S -","- C16 H14 Cl N3 O S -","- C64 H56 Cl4 N12 O4 S4 -","4","2","CV5320","Fun, Hoong-Kun; Quah, Ching Kheng; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-(6-Chloro-1,3-benzothiazol-2-yl)-2-[1-(4-methoxyphenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","9","o2682","","10.1107/S1600536812032606","","","0.71073","MoKα","","0.0619","0.0427","","","0.0809","0.0884","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236153","8.6669","0.0005","11.0574","0.0008","12.5304","0.001","76.133","0.002","75.672","0.002","68.797","0.001","1069.62","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Ethylenediamine-κ^2^N,N)bis[2-(pyridin-2-yl-κN)- 1,3-imidazol-1-ido-κN^1^]cobalt(III) nitrate monohydrate","","- C18 H22 Co N9 O4 -","- C18 H22 Co N9 O4 -","- C36 H44 Co2 N18 O8 -","2","1","CV5321","Feng, Xiu-Ling; Zhang, Yu-Ping","(Ethylenediamine-κ^2^N,N)bis[2-(pyridin-2-yl-κN)-1,3-imidazol-1-ido-κN^1^]cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2012","68","9","m1155","","10.1107/S1600536812032692","","","0.71073","MoKα","","0.0519","0.0371","","","0.0959","0.1095","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236154","7.5645","0.0005","13.1057","0.0009","12.7017","0.0005","90","","96.077","0.004","90","","1252.15","0.13","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dichloridomercury(II)]-μ-{N-[(E)-pyridin-2- ylmethylidene-κN]pyridin-3-amine-κ^2^N^1^:N^3^}]","","- C11 H9 Cl2 Hg N3 -","- C11 H9 Cl2 Hg N3 -","- C44 H36 Cl8 Hg4 N12 -","4","1","CV5327","Mahmoudi, Ali; Dehghanpour, Saeed; Najafi, Leila; Khalafbeigi, Mohammad","catena-Poly[[dichloridomercury(II)]-μ-{N-[(E)-pyridin-2-ylmethylidene-κN]pyridin-3-amine-κ^2^N^1^:N^3^}]","Acta Crystallographica Section E","2012","68","10","m1244","","10.1107/S1600536812035775","","","0.71073","MoKα","","0.0614","0.0415","","","0.1021","0.1155","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236155","14.0319","0.0011","7.3143","0.0006","20.582","0.0017","90","","106.841","0.003","90","","2021.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Bis(4-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","CV5330","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(4-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2841","","10.1107/S1600536812037385","","","0.71073","MoKα","","0.128","0.0717","","","0.1943","0.2322","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236156","5.517","0.0011","11.622","0.002","11.964","0.002","90","","90","","90","","767.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(2S)-2-Chloropropanoyl]glycine","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C20 H32 Cl4 N4 O12 -","4","1","CV5331","Sun, Hong-shun; Tang, Yi; Li, Yu-long; Xu, Ning; Xu, Hong","N-[(2S)-2-Chloropropanoyl]glycine","Acta Crystallographica Section E","2012","68","9","o2814","","10.1107/S1600536812036720","","","0.71073","MoKα","","0.0395","0.0351","","","0.0969","0.1","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236157","10.1809","0.0002","10.7654","0.0002","18.4871","0.0003","90","","96.115","0.001","90","","2014.68","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenanthro[9,10-d]imidazole","2-(4-Fluorophenyl)-1-(4-methylphenyl)-1H- phenanthro[9,10-d]imidazole","","- C28 H19 F N2 -","- C28 H19 F N2 -","- C112 H76 F4 N8 -","4","1","CV5332","Rosepriya, S.; Thiruvalluvar, A.; Sathishkumar, R.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R.J.","2-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-phenanthro[9,10-d]imidazole","Acta Crystallographica Section E","2012","68","10","o2880","","10.1107/S1600536812037592","","","1.54184","CuKα","","0.0452","0.0403","","","0.1014","0.1056","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236158","6.6621","0.0012","10.6685","0.0017","13.3437","0.0013","72.279","0.002","83.444","0.002","73.984","0.002","867.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Dimethylamino-N'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","","- C17 H20 N4 O4 -","- C17 H20 N4 O4 -","- C34 H40 N8 O8 -","2","1","CV5333","Zhang, Xiyue; Fu, Xiaobo; Tan, Langzhu; Wang, Chaixia; Fan, Weixing","4-Dimethylamino-N'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2828","","10.1107/S1600536812037063","","","0.71073","MoKα","","0.0859","0.0575","","","0.1643","0.2083","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236159","16.0829","0.0004","18.8607","0.0004","11.2352","0.0002","90","","99.081","0.001","90","","3365.31","0.13","90","0.5","90","0.5","101.3","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-m-Xylylenebis(salicylaldiminato)- bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate","","- C39 H44 Cl2 N2 O2 Rh2 -","- C39 H44 Cl2 N2 O2 Rh2 -","- C156 H176 Cl8 N8 O8 Rh8 -","4","1","CV5334","Gregory, Stacie; Laxman, Ravi K.; Fronczek, Frank R.; Maverick, Andrew W.; Watkins, Steven F.","μ~2~-m-Xylylenebis(salicylaldiminato)-bis(η^4^-1,5-cyclooctadiene)dirhodium(I) dichloromethane solvate","Acta Crystallographica Section E","2012","68","10","m1316","m1317","10.1107/S1600536812040603","","","0.71073","MoKα","","","0.0319","","","","0.0765","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236160","7.9737","0.0001","12.0896","0.0003","13.9411","0.0004","92.8065","0.0008","105.421","0.0008","91.9772","0.0018","1292.39","0.05","120","0.5","120","0.5","101.3","","","","","","","4","P -1","-P 1","2","","Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2H-pyrrol-2-ylidene-κN)\ methyl]-1H-pyrrolato-κN]copper(II)","","- C30 H38 Cu N4 -","- C30 H38 Cu N4 -","- C60 H76 Cu2 N8 -","2","1","CV5335","Erdem, Sultan S.; Fronczek, Frank R.; Watkins, Steven F.","Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2H-pyrrol-2-ylidene-κN)methyl]-1H-pyrrolato-κN]copper(II)","Acta Crystallographica Section E","2012","68","11","m1335","m1336","10.1107/S1600536812040998","","","0.71073","MoKα","","","0.0502","","","","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236161","5.7003","0.0018","7.279","0.002","30.76","0.01","96.7","0.009","94.38","0.016","93.332","0.012","1261","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","(4-Methoxyphenyl)(4-methylcyclohexyl)methanone","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","CV5337","Liu, Wei; Tang, Lida","(4-Methoxyphenyl)(4-methylcyclohexyl)methanone","Acta Crystallographica Section E","2012","68","10","o2850","","10.1107/S1600536812037373","","","0.71073","MoKα","","0.0639","0.0427","","","0.1113","0.1204","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236162","9.2922","0.0019","8.4982","0.0012","9.786","0.002","90","","90.471","0.015","90","","772.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methoxyisobenzofuran-1(3H)-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","CV5338","Pereira, Jorge L.; Teixeira, Róbson R.; Guilardi, Silvana; Paixão, Drielly A.","6-Methoxyisobenzofuran-1(3H)-one","Acta Crystallographica Section E","2012","68","10","o2995","","10.1107/S1600536812039074","","","0.71073","MoKα","","0.0694","0.0504","","","","0.1659","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236163","8.5681","0.0006","8.0393","0.0005","10.3808","0.0008","90","","103.51","0.007","90","","695.26","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","N-Ethyl-2-[1-(2-hydroxy-6- methoxyphenyl)ethylidene]hydrazinecarbothioamide","","- C12 H17 N3 O2 S -","- C12 H17 N3 O2 S -","- C24 H34 N6 O4 S2 -","2","1","CV5339","Anderson, Brian J.; Kennedy, Christopher J.; Jasinski, Jerry P.","N-Ethyl-2-[1-(2-hydroxy-6-methoxyphenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2982","","10.1107/S1600536812039323","","","0.7107","MoKα","","0.0594","0.0467","","","0.1149","0.1279","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236164","4.7957","0.0008","27.496","0.004","10.9906","0.0013","90","","97.048","0.004","90","","1438.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzothiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide","","- C16 H14 N2 O S2 -","- C16 H14 N2 O S2 -","- C64 H56 N8 O4 S8 -","4","1","CV5340","Sun, Yue; Wang, Xiao-Jun; Zheng, Peng-Wu","2-(1,3-Benzothiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2012","68","11","o3138","","10.1107/S1600536812042109","","","0.71073","MoKα","","0.0592","0.048","","","0.094","0.0995","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236165","7.7342","0.0007","10.6409","0.001","15.0924","0.0012","105.856","0.004","101.242","0.004","97.112","0.004","1151.08","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-Bis(2-bromophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H29 Br2 N O -","- C25 H29 Br2 N O -","- C50 H58 Br4 N2 O2 -","2","1","CV5341","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(2-bromophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","10","o2946","","10.1107/S1600536812039128","","","0.71073","MoKα","","0.1351","0.0619","","","0.1778","0.212","","","","","","1.023","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236166","5.4176","0.0012","10.358","0.002","19.853","0.005","75.671","0.003","88.294","0.003","78.23","0.003","1056.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(1H-benzimidazole-2-carboxylato- κ^2^N^3^,O)bis(ethanol-κO)manganese(II)","","- C20 H22 Mn N4 O6 -","- C20 H22 Mn N4 O6 -","- C40 H44 Mn2 N8 O12 -","2","1","CV5342","Nie, Jian-Hua; Lin, Yue-Hua; Xu, Chun-Tao","Bis(1H-benzimidazole-2-carboxylato-κ^2^N^3^,O)bis(ethanol-κO)manganese(II)","Acta Crystallographica Section E","2012","68","10","m1288","","10.1107/S1600536812039475","","","0.71073","MoKα","","0.0731","0.0481","","","0.117","0.1308","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236167","5.8625","0.0007","22.825","0.003","12.637","0.0017","90","","94.772","0.004","90","","1685.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N-(3,3-Diphenylallylidene)-3-nitroaniline","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","CV5343","Cha, Joo Hwan; Kang, Yong Koo; Cho, Yong Seo; Lee, Jae Kyun; Woo, Jae Choon","(E)-N-(3,3-Diphenylallylidene)-3-nitroaniline","Acta Crystallographica Section E","2012","68","10","o3030","","10.1107/S1600536812040354","","","0.71075","MoKα","","0.062","0.0425","","","0.1252","0.1361","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236168","7.6223","0.0003","7.6289","0.0003","12.6967","0.0004","90","","90","","90","","738.31","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Aminoquinoline","Quinolin-3-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","CV5347","Islor, Arun M.; Chandrakantha, B.; Shetty, Prakash; Gerber, Thomas; Hosten, Eric; Betz, Richard","Quinolin-3-amine","Acta Crystallographica Section E","2012","68","11","o3155","","10.1107/S1600536812042626","","","0.71073","MoKα","","0.0344","0.0323","","","0.0882","0.0912","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236169","9.732","0.003","9.832","0.002","11.166","0.003","64.55","0.02","69.62","0.02","75.33","0.03","897.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde- O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime","","- C16 H16 Br N5 O3 S -","- C16 H16 Br N5 O3 S -","- C32 H32 Br2 N10 O6 S2 -","2","1","CV5348","Fan, Chong-Guang; Chen, Jian-Cun; Dai, Hong; Wei, Yun-Hua; Shi, Yu-Jun","5-(4-Bromophenoxy)-1-methyl-3-methyl-1H-pyrazole-4-carbaldehyde-O-[(5-methoxy-1,3,4-thiadiazol-2-yl)-methyl]oxime","Acta Crystallographica Section E","2012","68","11","o3122","","10.1107/S1600536812042274","","","0.71073","MoKα","","0.0355","0.0287","","","0.0536","0.0542","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236170","11.719","0.009","8.308","0.003","17.246","0.005","90","","96.703","0.005","90","","1667.6","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(2H-benzotriazol-2-yl)acetic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C64 H56 N24 O16 -","8","1","DS2205","Alieva, Guloy; Ashurov, Jamshid; Mukhamedov, Nasir; Parpiev, Nusrat","A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid","Acta Crystallographica Section E","2012","68","10","o2833","","10.1107/S1600536812036768","","","1.54184","CuKα","","0.044","0.0355","","","0.0943","0.0997","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236171","24.913","0.001","7.2586","0.0003","6.1359","0.0002","90","","95.012","0.004","90","","1105.33","0.07","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)","","- C30 H24 O4 -","- C30 H24 O4 -","- C60 H48 O8 -","2","0.5","DS2209","Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Birinci, Emrah","(E)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)","Acta Crystallographica Section E","2012","68","9","o2633","","10.1107/S1600536812033624","","","0.71073","MoKα","","0.0677","0.0528","","","0.121","0.1293","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236172","5.7624","0.0005","13.1329","0.0008","11.7601","0.0009","90","","98.547","0.006","90","","880.09","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C32 H56 N4 O8 -","2","0.5","DS2210","Harrad, Mohamed Anouar; Boualy, Brahim; Ali, Mustapha Ait; El Firdoussi, Larbi; Stoeckli-Evans, Helen","(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(azanediyl)]bis(but-2-enoate)","Acta Crystallographica Section E","2012","68","10","o2855","o2856","10.1107/S1600536812036823","","","0.71073","MoKα","","0.0464","0.0353","","","0.0773","0.081","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236173","8.5766","0.0017","9.5036","0.0019","11.723","0.002","80.01","0.03","85.4","0.03","89.55","0.03","938","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[bis(thiocyanato-κN)zinc]bis[μ-1,3,5- tris(1H-1,2,4-triazol-1-ylmethyl)benzene-κ^2^N^4^:N^4'^]] monohydrate]","","- C32 H32 N20 O S2 Zn -","- C32 H32 N20 O S2 Zn -","- C32 H32 N20 O S2 Zn -","1","0.5","DS2211","Li, Qing-Xia; Shi, Xian-Ju; Chen, Lai-Cheng","catena-Poly[[[bis(thiocyanato-κN)zinc]bis[μ-1,3,5-tris(1H-1,2,4-triazol-1-ylmethyl)benzene-κ^2^N^4^:N^4'^]] monohydrate]","Acta Crystallographica Section E","2012","68","10","m1299","","10.1107/S1600536812039256","","","0.71073","MoKα","","0.0467","0.0411","","","0.1027","0.1077","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236174","14.6277","0.0011","9.8273","0.0003","13.0879","0.001","90","","133.49","0.013","90","","1364.9","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(E)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^N,O}zinc","","- C28 H18 Br4 F2 N2 O2 Zn -","- C28 H18 Br4 F2 N2 O2 Zn -","- C56 H36 Br8 F4 N4 O4 Zn2 -","2","0.5","DS2215","Zhang, Dingjun; Yu, Hong; Jin, Yue-Bao; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(E)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^N,O}zinc","Acta Crystallographica Section E","2012","68","11","m1424","","10.1107/S1600536812043930","","","0.71073","MoKα","","0.0172","0.0167","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236175","5.7203","0.0001","15.1315","0.0003","12.0606","0.0003","90","","96.867","0.001","90","","1036.44","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","S-Phenyl benzothioate","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","DS2217","Belay, Yonas H.; Kinfe, Henok H.; Muller, Alfred","S-Phenyl benzothioate","Acta Crystallographica Section E","2012","68","10","o2825","","10.1107/S1600536812037142","","","1.54178","CuKα","","0.0325","0.0318","","","","0.0817","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236176","14.7603","0.001","15.1301","0.0017","16.2847","0.0009","90","","90","","90","","3636.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8aR,9R)-9-Hydroxy-7,8,8a,9- tetrahydrofuro[3,2-f]indolizin-6(4H)-one","","- C10 H11 N O3 -","- C10 H11 N O2.99925 -","- C160 H176 N16 O47.988 -","16","4","DS2219","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Sivý, Július; Jozefína, Žúžiová","(8aR,9R)-9-Hydroxy-7,8,8a,9-tetrahydrofuro[3,2-f]indolizin-6(4H)-one","Acta Crystallographica Section E","2012","68","10","o3034","o3035","10.1107/S1600536812040378","","","0.71073","MoKα","","0.0415","0.0344","","","0.082","0.0859","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236177","12.5641","0.0007","13.1441","0.0005","7.7896","0.0004","90","","106.012","0.004","90","","1236.5","0.11","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","FB2260","Akbal, Tufan; Ağar, Erbil; Gümüş, Sümeyye; Erdönmez, Ahmet","4-Methoxy-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","10","o3026","","10.1107/S1600536812034344","","","0.71073","MoKα","","0.0711","0.0466","","","0.1161","0.1247","","","","","","1.151","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236178","8.4974","0.0003","11.8566","0.0004","13.958","0.0004","90","","90","","90","","1406.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-2- phenyl-4,6-methano-1,3,2-benzodioxaborole","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","FB2267","Lejon, Tore; Gozhina, Olga V.; Khrustalev, Victor N.","(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2012","68","11","o3103","","10.1107/S1600536812041712","","","0.71073","MoKα","","0.0375","0.0339","","","0.0889","0.092","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236179","6.7794","0.0012","12.172","0.002","13.718","0.002","98.776","0.002","102.42","0.002","90.444","0.002","1091.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato- κ^2^N^3^,O^4^)]calcium(II) tetrahydrate","","- C13 H24 Ca N4 O15 -","- C13 H24 Ca N4 O15 -","- C26 H48 Ca2 N8 O30 -","2","1","FF2078","Du, Ling-Zhi; Li, Xia","Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)]calcium(II) tetrahydrate","Acta Crystallographica Section E","2012","68","9","m1199","m1200","10.1107/S1600536812035544","","","0.71073","MoKα","","0.0909","0.0476","","","0.084","0.0982","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236180","9.8052","0.0014","18.041","0.003","13.2193","0.0018","90","","110.797","0.002","90","","2186.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]- 3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","","- C27 H22 N4 O -","- C27 H22 N4 O -","- C108 H88 N16 O4 -","4","1","FF2079","Zhang, Zhao; Lü, Xingqiang; Zhao, Shunsheng; Liu, Xiangrong","(Z)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","9","o2777","","10.1107/S1600536812034770","","","0.71073","MoKα","","0.0672","0.0416","","","0.1058","0.1229","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236181","12.254","0.007","24.302","0.014","12.297","0.007","90","","108.654","0.009","90","","3470","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,2'-[Cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","","- C20 H20 Cu N2 O2 -","- C20 H20 Cu N2 O2 -","- C160 H160 Cu8 N16 O16 -","8","2","FF2080","Zhao, Shunsheng; Lü, Xingqiang; Liu, Xiangrong","{2,2'-[Cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II)","Acta Crystallographica Section E","2012","68","9","m1215","","10.1107/S1600536812036458","","","0.71073","MoKα","","0.218","0.0851","","","0.1753","0.2482","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236182","13.5151","0.0012","6.968","0.0005","16.5529","0.0014","90","","122.385","0.002","90","","1316.39","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-1H-1,2,4-triazole-5(4H)-thione‒4,4'-bipyridine (1/1)","","- C12 H12 N6 S -","- C12 H12 N6 S -","- C48 H48 N24 S4 -","4","1","FF2081","Qiu, Qi-Ming; Jiang, Yu-Han; Huang, Xu; Jin, Qiong-Hua; Zhang, Cun-Lin","3-Amino-1H-1,2,4-triazole-5(4H)-thione‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2012","68","10","o2885","","10.1107/S1600536812037671","","","0.71073","MoKα","","0.0608","0.0396","","","0.0981","0.114","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236183","9.4399","0.0008","23.1526","0.0016","8.1388","0.0005","90","","108.039","0.002","90","","1691.4","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,3-Diphenylallylidene)-4-nitroaniline","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","FF2082","Kang, Yong Koo; Cho, Yong Seo; Lee, Jae Kyun; Yu, Byung-Yong; Cha, Joo Hwan","(E)-N-(3,3-Diphenylallylidene)-4-nitroaniline","Acta Crystallographica Section E","2012","68","10","o3031","","10.1107/S1600536812040391","","","0.71075","MoKα","","","0.0376","","","","0.1131","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236184","9.8514","0.001","8.9757","0.0007","21.917","0.003","90","","90","","90","","1938","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Oxo-2,3-dihydro-1H-inden-4-yl acetate","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FF2083","Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","3-Oxo-2,3-dihydro-1H-inden-4-yl acetate","Acta Crystallographica Section E","2012","68","11","o3075","o3076","10.1107/S1600536812041293","","","0.71073","MoKα","","0.1386","0.0873","","","0.2122","0.2314","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236185","5.6227","0.0001","10.2571","0.0002","34.2115","0.0006","90","","90","","90","","1973.07","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(pro-val)","(3S,8aS)-3-Isopropylhexahydropyrrolo[1,2-a]pyrazine-1,4- dione","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","2","FF2084","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","Cyclo(-L-prolyl-L-valinyl-) from Burkholderia thailandensis MSMB43","Acta Crystallographica Section E","2012","68","11","o3182","o3183","10.1107/S1600536812043000","","","1.54178","CuKα","","0.0364","0.0308","","","0.0722","0.0749","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236186","8.8746","0.0005","13.3273","0.0007","9.8331","0.0006","90","","90","","90","","1163","0.11","180","1","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","10'-Chloro-3',4'-dihydro-2'H-spiro[cyclopropane- 1,7'(6'H)-pyrimido[2,1-a]isoquinolin]-6'-one","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C56 H52 Cl4 N8 O4 -","4","1","FF2085","Okuda, Kensuke; Hirota, Takashi; Nishina, Yuta; Ishida, Hiroyuki","10'-Chloro-3',4'-dihydro-2'H-spiro[cyclopropane-1,7'(6'H)-pyrimido[2,1-a]isoquinolin]-6'-one","Acta Crystallographica Section E","2012","68","11","o3252","","10.1107/S1600536812044261","","","0.71075","MoKα","","0.0347","0.0305","","","0.0758","0.0787","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236187","21.5625","0.0002","23.4621","0.0002","8.603","0.0001","90","","98.899","0.001","90","","4299.88","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[(1,10-phenanthroline- κ^2^N,N')praseodymium(III)]-di-μ-4-hydroxybenzoato- κ^4^O^1^:O^1'^-μ-nitrato-κ^3^O,O':O] bis(1,10-phenanthroline)]","","- C50 H34 N7 O9 Pr -","- C50 H34 N7 O9 Pr -","- C200 H136 N28 O36 Pr4 -","4","1","FJ2550","Wang, Panfeng; Xu, Dingding; Wang, Xinqing","catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')praseodymium(III)]-di-μ-4-hydroxybenzoato-κ^4^O^1^:O^1'^-μ-nitrato-κ^3^O,O':O] bis(1,10-phenanthroline)]","Acta Crystallographica Section E","2012","68","9","m1148","","10.1107/S1600536812029911","","","1.54184","CuKα","","0.0375","0.0349","","","0.0888","0.0919","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236188","9.746","0.002","13.096","0.003","13.725","0.003","88.317","0.003","73.127","0.003","77.169","0.003","1633.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)‒ trichloroacetic acid (1/1)","","- C23 H22 Cl10 N2 O6 -","- C23 H22 Cl10 N2 O6 -","- C46 H44 Cl20 N4 O12 -","2","1","FJ2574","Song, Yanxi; Chidan Kumar, C. S.; Akkurt, Mehmet; Chandraju, S.; Li, Hongqi","1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)‒trichloroacetic acid (1/1)","Acta Crystallographica Section E","2012","68","9","o2695","o2696","10.1107/S1600536812034794","","","0.71073","MoKα","","0.0659","0.0467","","","0.1139","0.1246","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236189","16.0028","0.0013","4.9046","0.0006","8.2367","0.0007","90","","93.199","0.007","90","","645.47","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-1H-pyrrole-2-carboxylic acid","","- C5 H4 Br N O2 -","- C5 H4 Br N O2 -","- C20 H16 Br4 N4 O8 -","4","1","FJ2579","Zheng, Le; Hu, Fang; Zeng, Xiang Chao; Li, Kai Ping","4-Bromo-1H-pyrrole-2-carboxylic acid","Acta Crystallographica Section E","2012","68","9","o2689","","10.1107/S1600536812034800","","","0.71073","MoKα","","0.0511","0.0341","","","0.0727","0.0812","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236190","8.7516","0.0004","12.4649","0.0005","21.4605","0.0008","97.654","0.002","101.024","0.002","102.345","0.002","2207.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'H- dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione","","- C26 H29 N3 O2 -","- C26 H29 N3 O2 -","- C104 H116 N12 O8 -","4","2","FJ2583","Ramaswamy, S.; Sribala, R.; Srinivasan, N.; Krishnakumar, R. V.; Kumar, R. Ranjith","1-Methyl-1'-(4-methylphenyl)-2',3',5',6',7',7a'-hexahydro-1'H-dispiro[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione","Acta Crystallographica Section E","2012","68","9","o2772","o2773","10.1107/S1600536812036240","","","0.71073","MoKα","","0.0664","0.0403","","","0.0978","0.1102","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236191","11.29","0.002","16.171","0.003","8.5612","0.0014","90","","105.045","0.011","90","","1509.4","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C68 H60 F4 O12 S4 -","4","1","FJ2589","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Ethyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2838","","10.1107/S1600536812036872","","","0.71073","MoKα","","0.0537","0.0415","","","0.0975","0.1054","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236192","10.8053","0.0006","4.8952","0.0002","16.3601","0.001","90","","95.813","0.002","90","","860.9","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","FJ2591","Reshma, P. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-4-Benzyloxy-2-hydroxybenzylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","9","o2785","","10.1107/S1600536812036306","","","0.71073","MoKα","","0.0327","0.0292","","","0.0777","0.082","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236193","12.6484","0.0005","10.1647","0.0004","8.8683","0.0004","90","","104.462","0.001","90","","1104.04","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diaquatetrabromidotin(IV) trihydrate","","- Br4 H10 O5 Sn -","- Br4 H10 O5 Sn -","- Br16 H40 O20 Sn4 -","4","0.5","FJ2592","Ye, Fei; Reuter, Hans","Diaquatetrabromidotin(IV) trihydrate","Acta Crystallographica Section E","2012","68","9","i70","","10.1107/S1600536812036434","","","0.71073","MoKα","","0.0151","0.0133","","","0.0276","0.0279","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236194","9.0535","0.0008","11.9947","0.0007","17.2267","0.0015","90","","117.355","0.006","90","","1661.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Anilino)(2-nitrophenyl)methyl]cyclohexanone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","FJ2593","Eftekhari-Sis, Bagher; Mohajer, Sahar; Büyükgüngör, Orhan","2-[(Anilino)(2-nitrophenyl)methyl]cyclohexanone","Acta Crystallographica Section E","2012","68","10","o2829","","10.1107/S1600536812036859","","","0.71073","MoKα","","0.09","0.0542","","","0.143","0.1601","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236195","5.2965","0.0002","7.703","0.0004","8.8035","0.0003","84.057","0.004","87.691","0.003","89.016","0.004","356.92","0.03","106","1","106","1","","","","","","","","6","P -1","-P 1","2","","(Dimethylphosphoryl)methanaminium chloride","","- C3 H11 Cl N O P -","- C3 H11 Cl N O P -","- C6 H22 Cl2 N2 O2 P2 -","2","1","FJ2594","Reiss, Guido J.; Jörgens, Stefan","(Dimethylphosphoryl)methanaminium chloride","Acta Crystallographica Section E","2012","68","10","o2899","o2900","10.1107/S1600536812037890","","","0.71073","MoKα","","0.022","0.0206","","","0.0487","0.0493","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236196","5.0734","0.0011","11.618","0.002","14.718","0.003","87.388","0.013","86.595","0.015","89.78","0.015","865.1","0.3","296","2","296","2","","","","","","","","3","P 1","P 1","1","","(3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12- decahydro-1H-2-benzoxacyclotetradecin-1-one.","","- C18 H26 O5 -","- C18 H26 O5 -","- C36 H52 O10 -","2","2","FJ2595","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one.","Acta Crystallographica Section E","2012","68","11","o3071","","10.1107/S1600536812041141","","","0.71073","MoKα","","0.0752","0.0586","","","0.1379","0.1474","","","","","","0.952","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236197","26.574","0.001","6.3883","0.0003","19.3304","0.0006","90","","123.037","0.002","90","","2751","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Acetylphenyl (2E)-3-(4-fluorophenyl)acrylate","","- C17 H13 F O3 -","- C17 H13 F O3 -","- C136 H104 F8 O24 -","8","1","FJ2596","Momin, Mehbub I. K.; Pawar, Sunayna; Koorbanally, Neil Anthony; Su, Hong; Ramjugernath, Deresh","2-Acetylphenyl (2E)-3-(4-fluorophenyl)acrylate","Acta Crystallographica Section E","2012","68","10","o3049","","10.1107/S1600536812040536","","","0.71073","MoKα","","0.0696","0.0405","","","0.0997","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236198","11.7401","0.0002","6.3767","0.0001","17.7462","0.0003","90","","109.584","0.001","90","","1251.68","0.04","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-norbornyl p-bromobenzoate","Bicyclo[2.2.1]hept-7-yl p-bromobenzoate","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","FJ2598","Lloyd, Barry A.; Arif, Atta M.","Bicyclo[2.2.1]hept-7-yl p-bromobenzoate","Acta Crystallographica Section E","2012","68","11","o3086","o3087","10.1107/S1600536812041268","","","0.71073","MoKα","","0.0294","0.0224","","","0.0527","0.0552","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236199","17.755","0.008","7.24","0.004","11.045","0.008","90","","101.07","0.05","90","","1393.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-5-({4-[N-methyl-N-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine","","- C15 H15 N5 O -","- C15 H15 N5 O -","- C60 H60 N20 O4 -","4","1","FJ2599","Centore, Roberto; Piccialli, Vincenzo","2-Cyano-5-({4-[N-methyl-N-(2-hydroxyethyl)amino] phenyl}diazenyl)pyridine","Acta Crystallographica Section E","2012","68","11","o3079","o3080","10.1107/S1600536812041396","","","0.71073","MoKα","","0.115","0.0515","","","0.1131","0.1385","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236200","11.6011","0.0011","20.457","0.003","7.4335","0.0007","90","","101.303","0.008","90","","1729.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","FJ2600","Kargılı, Hakan; Macit, Mustafa; Alpaslan, Gökhan; Kazak, Canan; Erdönmez, Ahmet","(E)-N-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline","Acta Crystallographica Section E","2012","68","11","o3176","","10.1107/S1600536812043097","","","0.71073","MoKα","","0.1129","0.0648","","","0.1867","0.2112","","","","","","0.94","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236201","10.2749","0.0005","5.5787","0.0003","16.622","0.0009","90","","100.976","0.004","90","","935.35","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Allyl-1H-1,3-benzimidazol-2(3H)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","FJ2602","Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-1H-1,3-benzimidazol-2(3H)-one","Acta Crystallographica Section E","2012","68","11","o3212","","10.1107/S1600536812043620","","","0.71073","MoKα","","0.1054","0.0448","","","0.1031","0.1278","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236202","19.173","0.003","8.826","0.001","18.088","0.002","90","","94.009","0.002","90","","3053.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[2-(pyridin-2-yl)-N-(pyridin-2-ylmethylidene)ethanamine- κ^3^N,N',N'']manganese(II) monohydrate","","- C13 H15 Cl2 Mn N3 O -","- C13 H13 Cl2 Mn N3 O -","- C104 H104 Cl16 Mn8 N24 O8 -","8","1","FK2065","Tinguiano, Daniel; Thiam, Ibrahima Elhadj; Dieng, Moussa; Gaye, Mohamed; Retailleau, Pascal","Dichlorido[2-(pyridin-2-yl)-N-(pyridin-2-ylmethylidene)ethanamine-κ^3^N,N',N'']manganese(II) monohydrate","Acta Crystallographica Section E","2012","68","10","m1250","","10.1107/S1600536812037877","","","0.7107","MoKα","","0.0692","0.0437","","","0.0998","0.1126","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236203","4.5151","0.0001","11.6102","0.0003","22.3255","0.0007","90","","90","","90","","1170.33","0.05","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H11 F N4 O S -","- C11 H11 F N4 O S -","- C44 H44 F4 N16 O4 S4 -","4","1","FY2062","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2868","o2869","10.1107/S1600536812036471","","","0.71073","MoKα","","0.0899","0.0644","","","0.0886","0.0981","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236204","5.4062","0.0015","14.53","0.003","12.027","0.002","90","","113.117","0.01","90","","868.9","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxybenzamide 1,4-dioxane hemisolvate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","FY2064","Tothadi, Srinu; Desiraju, Gautam R.","4-Hydroxybenzamide 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2012","68","9","o2661","","10.1107/S160053681203437X","","","0.71073","MoKα","","0.0419","0.0394","","","0.1079","0.1106","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236205","16.8172","0.0007","15.7033","0.0007","19.908","0.001","90","","90","","90","","5257.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C256 H296 N8 O24 -","8","1","FY2066","Sughanya, V.; Sureshbabu, N.","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","Acta Crystallographica Section E","2012","68","9","o2755","","10.1107/S1600536812036094","","","0.71073","MoKα","","0.0732","0.0442","","","0.1085","0.1275","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236206","8.0653","0.0016","10.931","0.002","13.851","0.003","111.627","0.003","90.775","0.003","110.226","0.003","1051.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1- phenyl-1H-pyrazol-5(4H)-one","","- C23 H18 Cl2 N4 O -","- C23 H18 Cl2 N4 O -","- C46 H36 Cl4 N8 O2 -","2","1","FY2067","Zou, Dan; Lü, Xingqiang; Zhao, Shunsheng; Liu, Xiangrong","(Z)-4-[(2-Amino-4,5-dichloroanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","11","o3148","","10.1107/S160053681204086X","","","0.71073","MoKα","","0.1138","0.0601","","","0.1506","0.1887","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236207","11.5904","0.0013","7.057","0.0008","16.4519","0.0018","90","","107.445","0.002","90","","1283.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","5-[(Z)-2,3-Dimethoxybenzylidene]-1,2,4- triazolo[3,2-b][1,3]thiazol-6(5H)-one","","- C13 H11 N3 O3 S -","- C13 H11 N3 O3 S -","- C52 H44 N12 O12 S4 -","4","1","FY2070","Guo, Lu; Lin, Gao-Tong; Wang, Jia; Ni, Li; Ge, Ren-Shan","5-[(Z)-2,3-Dimethoxybenzylidene]-1,2,4-triazolo[3,2-b][1,3]thiazol-6(5H)-one","Acta Crystallographica Section E","2012","68","11","o3139","","10.1107/S1600536812042559","","","0.71073","MoKα","","0.0544","0.0499","","","0.1343","0.1353","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236208","25.822","0.002","11.4406","0.0009","11.3602","0.0007","90","","107.07","0.004","90","","3208.2","0.4","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C160 H120 N24 O16 -","8","1","GG2090","Kloubert, Tobias; Kretschmer, Robert; Görls, Helmar; Westerhausen, Matthias","[1-Methoxy-3-(pyridin-2-yl)indolizin-2-yl](pyridin-2-yl)methanone","Acta Crystallographica Section E","2012","68","9","o2631","o2632","10.1107/S160053681203396X","","","0.71073","MoKα","","0.1155","0.0541","","","0.1158","0.1324","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236209","4.9776","0.0005","10.1139","0.001","30.572","0.003","92.069","0.002","90.087","0.002","91.06","0.002","1537.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","N-[4-(4-Nitrophenoxy)phenyl]pentanamide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","2","GG2093","Nigar, Asifan; Akhter, Zareen; McKee, Vickie; Hussain, Rizwan","N-[4-(4-Nitrophenoxy)phenyl]pentanamide","Acta Crystallographica Section E","2012","68","9","o2816","","10.1107/S1600536812036744","","","0.71073","MoKα","","0.0725","0.0556","","","0.1278","0.1354","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236210","8.3247","0.0002","11.2697","0.0002","11.7004","0.0003","73.0982","0.0006","85.09","0.0006","82.2708","0.0005","1039.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[(1,1'-biphenyl-2,2'-diyl)di-tert-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)]","","- C40 H52 Cl6 P2 Pd2 -","- C40 H52 Cl6 P2 Pd2 -","- C40 H52 Cl6 P2 Pd2 -","1","0.5","GG2094","Arderne, Charmaine; Holzapfel, Cedric W.","Bis[(1,1'-biphenyl-2,2'-diyl)di-tert-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)]","Acta Crystallographica Section E","2012","68","10","m1247","","10.1107/S1600536812037786","","","0.71073","MoKα","","0.015","0.0146","","","0.0366","0.0369","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236211","13.791","0.0003","22.668","0.0005","5.634","0.0001","90","","90","","90","","1761.27","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","","- C14 H13 Cl3 N4 O4 -","- C14 H13 Cl3 N4 O4 -","- C56 H52 Cl12 N16 O16 -","4","1","GG2095","Perdih, Franc","4-Carbamoylpyridin-1-ium 2,2,2-trichloroacetate‒isonicotinamide (1/1)","Acta Crystallographica Section E","2012","68","9","o2818","","10.1107/S1600536812037002","","","0.71073","MoKα","","0.0476","0.04","","","","0.0914","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236212","9.4723","0.0012","9.9129","0.0014","11.2779","0.0016","97.98","0.005","110.359","0.004","93.547","0.004","976.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(Furan-2-yl)-1,3-bis(furan-2-ylmethyl)-1H-benzimidazol-3-ium chloride monohydrate","","- C21 H19 Cl N2 O4 -","- C21 H19 Cl N2 O4 -","- C42 H38 Cl2 N4 O8 -","2","1","GG2097","Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.","2-(Furan-2-yl)-1,3-bis(furan-2-ylmethyl)-1H-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2012","68","10","o3006","o3007","10.1107/S1600536812040135","","","0.71073","MoKa","","0.0581","0.0451","","","0.1208","0.1286","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236213","5.2724","0.0007","10.734","0.0016","19.176","0.003","82.634","0.004","82.532","0.005","80.371","0.004","1054.6","0.3","180","1","180","2","","","","","","","","4","P -1","-P 1","2","","3-(2-Oxo-2,3,4,5-tetrahydrofuran-3-yl)-1-benzofuran-2-carbonitrile","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","2","GG2098","Okuda, Kensuke; Hirota, Takashi; Nishina, Yuta; Ishida, Hiroyuki","3-(2-Oxo-2,3,4,5-tetrahydrofuran-3-yl)-1-benzofuran-2-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2819","","10.1107/S1600536812036835","","","0.71075","MoKα","","0.0668","0.0467","","","0.1234","0.1331","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236214","11.2561","0.0017","7.7049","0.0011","13.9688","0.0014","90","","91.672","0.008","90","","1211","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris[(6S)-6-hydroxy-4-epi-shikimic acid] monohydrate","","- C7 H10.667 O6.333 -","- C7 H10.6667 O6.33333 -","- C42 H64 O38 -","6","3","GG2099","Griesbeck, Axel G.; Miara, Claus; Neudörfl, Jörg-M.","Tris[(6S)-6-hydroxy-4-epi-shikimic acid] monohydrate: an enantiomerically pure hydroxylated shikimic acid derived from methyl shikimate","Acta Crystallographica Section E","2012","68","11","o3149","o3150","10.1107/S1600536812041256","","","0.71073","MoKα","","0.1503","0.0535","","","0.0812","0.1021","","","","","","0.881","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236215","9.4224","0.0012","10.3799","0.0016","11.8143","0.0018","82.14","0.004","73.96","0.004","81.676","0.004","1093.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Diethyl-2,2'-[(N-cyclohexylimino)bis(methylene)]diphenol","","- C24 H33 N O2 -","- C24 H33 N O2 -","- C48 H66 N2 O4 -","2","1","GG2100","Wattanathana, Worawat; Veranitisagul, Chatchai; Kaewvilai, Attaphon; Laobuthee, Apirat; Koonsaeng, Nattamon","4,4'-Diethyl-2,2'-[(N-cyclohexylimino)bis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","10","o3050","","10.1107/S1600536812040342","","","0.71073","MoKα","","0.0859","0.0595","","","0.1649","0.1846","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236216","21.1586","0.0005","5.6731","0.0002","14.6425","0.0004","90","","103.037","0.003","90","","1712.31","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzylpiperidin-4-one O-(2-bromobenzyl)oxime","","- C19 H21 Br N2 O -","- C19 H21 Br N2 O -","- C76 H84 Br4 N8 O4 -","4","1","GG2101","Moreno-Fuquen, Rodolfo; Loaiza, Alix E.; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.","1-Benzylpiperidin-4-one O-(2-bromobenzyl)oxime","Acta Crystallographica Section E","2012","68","10","o3039","","10.1107/S1600536812040263","","","0.71073","MoKα","","0.0561","0.0371","","","0.0708","0.0783","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236217","10.7299","0.0006","14.2399","0.0007","5.9381","0.0003","90","","108.229","0.002","90","","861.76","0.08","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","μ-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate","","- C11 H13 Cl4 N5 O Pd2 -","- C11 H6 Cl4 N5 O Pd2 -","- C22 H12 Cl8 N10 O2 Pd4 -","2","0.25","GG2102","Young, Cyril; Roodt, Andreas; Bezuidenhoudt, Barend C. B.","μ-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","11","m1374","","10.1107/S1600536812040779","","","0.71073","MoKα","","0.0334","0.0276","","","","0.059","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236218","12.493","0.003","11.559","0.004","15.415","0.004","90","","92.306","0.014","90","","2224.2","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[4-(4-bromophenylimino-κN)pent-2-en-2-olato-κO]copper(II)","","- C22 H22 Br2 Cu N2 O2 -","- C22 H22 Br2 Cu N2 O2 -","- C88 H88 Br8 Cu4 N8 O8 -","4","1","GG2104","Bungu, Paul S. E.; Schutte, Marietjie; Steyl, G.","Bis[4-(4-bromophenylimino-κN)pent-2-en-2-olato-κO]copper(II)","Acta Crystallographica Section E","2012","68","11","m1373","","10.1107/S1600536812042420","","","0.71073","MoKα","","0.0501","0.0338","","","","0.0819","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236219","10.9026","0.0003","10.2798","0.0003","14.2962","0.0003","90","","101.529","0.002","90","","1569.94","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-3-nitro-N-{(E)-[5-(4-nitrophenyl)furan- 2-yl]methylidene}aniline","","- C18 H13 N3 O5 -","- C18 H13 N3 O5 -","- C72 H52 N12 O20 -","4","1","GK2492","Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Öztürk Yıldırım, Sema; Butcher, Ray J.","2-Methyl-3-nitro-N-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}aniline","Acta Crystallographica Section E","2012","68","9","o2630","","10.1107/S1600536812033818","","","1.5418","CuKα","","0.0486","0.0423","","","0.1113","0.1178","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236220","8.4462","0.0007","12.5495","0.0011","15.2557","0.0014","100.754","0.007","96.956","0.007","105.287","0.007","1507.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 3-[(1,1-dioxo-1λ^6^,2-benzothiazol-3-yl)amino]-5-nitrothiophene-2- carboxylate","","- C13 H9 N3 O6 S2 -","- C13 H9 N3 O6 S2 -","- C52 H36 N12 O24 S8 -","4","2","GK2503","Rode, Haridas B.; Chojnacki, Jarosław; Otto, Hans-Hartwig","Methyl 3-[(1,1-dioxo-1λ^6^,2-benzothiazol-3-yl)amino]-5-nitrothiophene-2-carboxylate","Acta Crystallographica Section E","2012","68","10","o2951","o2952","10.1107/S1600536812038378","","","0.71073","MoKα","","0.0693","0.0599","","","0.1557","0.1654","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236221","8.3685","0.0004","12.6395","0.0005","7.1083","0.0003","90","","96.461","0.005","90","","747.1","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromo-2,5-dibutoxybenzene","","- C14 H20 Br2 O2 -","- C14 H20 Br2 O2 -","- C28 H40 Br4 O4 -","2","0.5","GK2508","Teh, Chin Hoong; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Daik, Rusli; Kassim, Mohammad B.","1,4-Dibromo-2,5-dibutoxybenzene","Acta Crystallographica Section E","2012","68","9","o2683","","10.1107/S1600536812033338","","","1.54178","CuKα","","0.034","0.0301","","","0.0787","0.0813","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236222","6.0303","0.0004","11.1196","0.0008","14.414","0.0011","90","","98.647","0.006","90","","955.54","0.12","99.97","0.14","99.97","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-propoxybenzamide","2-propoxybenzamide","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","GK2512","Al Jasem, Yosef; al Hindawi, Bassam; Thiemann, Thies; White, Fraser","2-Propoxybenzamide","Acta Crystallographica Section E","2012","68","9","o2639","o2640","10.1107/S1600536812033326","","","1.5418","CuKα","","0.0595","0.0398","","","0.0898","0.0992","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236223","8.9431","0.0003","10.4542","0.0002","10.4648","0.0002","90","","109.313","0.002","90","","923.33","0.04","298","1","298","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8-quinolinesulfonamide","Quinoline-8-sulfonamide","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C36 H32 N8 O8 S4 -","4","1","GK2515","Marciniec, Krzysztof; Maślankiewicz, Andrzej; Nowak, Maria; Kusz, Joachim","Quinoline-8-sulfonamide","Acta Crystallographica Section E","2012","68","10","o2826","","10.1107/S1600536812036963","","","0.71073","MoKα","","0.0325","0.0286","","","0.0933","0.0954","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236224","7.683","0.0004","9.1597","0.0004","26.1083","0.0012","90","","91.683","0.004","90","","1836.55","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-({[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]- N-methoxyhydrazinecarboxamide","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C72 H72 Cl4 N20 O12 -","4","1","GK2517","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","N-[2-({[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]-N-methoxyhydrazinecarboxamide","Acta Crystallographica Section E","2012","68","10","o2916","","10.1107/S1600536812038214","","","0.71073","MoKα","","0.062","0.0479","","","0.1045","0.1115","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236225","11.8886","0.0005","13.3481","0.0005","13.4128","0.0005","77.214","0.003","66.757","0.004","87.856","0.003","1904.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H18 Br F O3 -","- C21 H18 Br F O3 -","- C84 H72 Br4 F4 O12 -","4","2","GK2518","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2012","68","10","o2917","o2918","10.1107/S1600536812038202","","","0.71073","MoKα","","0.1133","0.0542","","","0.1099","0.139","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236226","4.6141","0.0002","11.7335","0.0004","20.146","0.0008","90","","90","","90","","1090.7","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","","- C8 H10 Cl N3 O2 S -","- C8 H10 Cl N3 O2 S -","- C32 H40 Cl4 N12 O8 S4 -","4","1","GK2519","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","Acta Crystallographica Section E","2012","68","11","o3109","","10.1107/S1600536812042031","","","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.081","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236227","13.2832","0.0006","5.853","0.0002","14.2995","0.0008","90","","116.086","0.006","90","","998.49","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one","","- C11 H12 F N O -","- C11 H12 F N O -","- C44 H48 F4 N4 O4 -","4","1","GK2520","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Deshmukh, Madhukar B.; Patil, D. R.; Anbhule, P. V.","(2E)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3110","","10.1107/S160053681204202X","","","0.71073","MoKα","","0.0648","0.0457","","","0.1211","0.1325","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236228","5.08891","0.00017","11.2542","0.0004","15.8802","0.0006","90","","90","","90","","909.48","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Allyloxybenzamide","2-(Prop-2-enyloxy)benzamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","GK2521","Bugenhagen, Bernhard; Al Jasem, Yosef; Barkhad, Farah; al Hindawi, Bassam; Thiemann, Thies","2-(Prop-2-enyloxy)benzamide","Acta Crystallographica Section E","2012","68","11","o3169","o3170","10.1107/S1600536812042250","","","1.5418","CuKα","","0.0363","0.0332","","","0.0846","0.0873","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236229","7.4701","0.0004","10.1619","0.0005","11.8219","0.0005","94.721","0.004","100.079","0.004","110.685","0.005","816.42","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-\ 2-enoic acid","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C34 H28 F6 N2 O8 -","2","1","GK2523","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Deshmukh, Madhukar B.; Banerjee, Kaushik","3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid","Acta Crystallographica Section E","2012","68","11","o3163","","10.1107/S1600536812042316","","","0.71073","MoKα","","0.1013","0.0592","","","0.135","0.1535","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236230","7.1102","0.0005","7.817","0.0005","8.2454","0.0006","97.27","0.006","93.431","0.006","115.68","0.007","406.31","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (2E)-2-cyano-3-(dimethylamino)prop-2-enoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C14 H20 N4 O4 -","2","1","GK2525","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Salunkhe, D. K.; Deshmukh, Madhukar B.","Methyl (2E)-2-cyano-3-(dimethylamino)prop-2-enoate","Acta Crystallographica Section E","2012","68","11","o3121","","10.1107/S1600536812042304","","","0.71073","MoKα","","0.0704","0.046","","","0.1159","0.1341","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236231","29.797","0.005","10.717","0.005","8.086","0.005","90","","103.088","0.005","90","","2515","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","1","GK2526","Islor, Arun M.; Yaradoni, Rajiv; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard","3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2012","68","11","o3215","","10.1107/S1600536812043711","","","0.71069","MoKα","","0.0455","0.037","","","0.0951","0.1029","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236232","21.1985","0.0017","11.4","0.0009","20.9346","0.0017","90","","106.588","0.002","90","","4848.6","0.7","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(2-Aminoethanethiolato-κ^2^N,S)bis[1,2- bis(diphenylphosphanyl)ethane-κ^2^P,P']ruthenium(II) hexafluoridophosphate","","- C54 H54 F6 N P5 Ru S -","- C54 H54 F6 N P5 Ru S -","- C216 H216 F24 N4 P20 Ru4 S4 -","4","1","GK2528","Igashira-Kamiyama, Asako; Tamura, Motoshi; Konno, Takumi","(2-Aminoethanethiolato-κ^2^N,S)bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^P,P']ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","11","m1432","","10.1107/S1600536812044273","","","0.71075","MoKα","","0.0689","0.0438","","","0.0918","0.1124","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236233","8.7455","0.0003","8.2968","0.0003","14.0638","0.0004","90","","104.474","0.003","90","","988.08","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","7-[(7S)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1- [(1S,2R)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline- 3-carboxylate methanol monosolvate","","- C20 H22 Cl F2 N3 O4 -","- C20 H22 Cl F2 N3 O4 -","- C40 H44 Cl2 F4 N6 O8 -","2","1","GO2064","Xu, Wen-jie; Qiu, Xue-hui; Hua, Huai-jie; Tan, Song-de; Ding, Hai-yan","7-[(7S)-7-Azaniumyl-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2794","","10.1107/S160053681203632X","","","1.54184","CuKα","","0.0434","0.0383","","","0.0955","0.0998","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236234","5.701","0.005","12.485","0.005","26.736","0.005","90","0.005","90","0.005","90","0.005","1903","1.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1H- pyrazol-3(2H)-one","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C92 H88 N16 O4 -","4","1","GO2065","Krishnakumar, K.; Franklin, S.; Prabhu, G. Venkatesa; Balasubramanian, T.","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1H-pyrazol-3(2H)-one","Acta Crystallographica Section E","2012","68","11","o3193","","10.1107/S1600536812042936","","","0.71073","MoKα","","0.0576","0.0398","","","","0.0945","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236235","4.1001","0.0006","15.3464","0.0011","20.3037","0.0017","90","","90.859","0.009","90","","1277.4","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-p-tolylquinoline-4-carboxylic acid","2-(4-Methylphenyl)quinoline-4-carboxylic acid","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","GO2066","Al-Qawasmeh, Raed A.; A. Khanfar, Monther; H. Abu Zarga, Musa; A. AlDamen, Murad","2-(4-Methylphenyl)quinoline-4-carboxylic acid","Acta Crystallographica Section E","2012","68","10","o2892","","10.1107/S160053681203797X","","","0.71073","MoKα","","0.0669","0.049","","","0.1145","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236236","9.5011","0.0008","11.906","0.0013","9.9824","0.0009","90","","90.348","0.007","90","","1129.19","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol","","- C23 H32 Cl2 N2 O2 -","- C23 H32 Cl2 N2 O2 -","- C46 H64 Cl4 N4 O4 -","2","0.5","GO2069","Rivera, Augusto; Pacheco, Dency José; Ríos-Motta, Jaime; Maldonado, Mauricio; Bolte, Michael","rac-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol","Acta Crystallographica Section E","2012","68","10","o2997","","10.1107/S1600536812039694","","","0.71073","MoKα","","0.0745","0.0635","","","0.1532","0.1587","","","","","","1.143","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236237","14.0758","0.0009","5.8059","0.0004","8.6909","0.0005","90","","90","","90","","710.24","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1H-Indole-3-carbaldehyde","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","GO2070","Dileep, C. S.; Abdoh, M. M. M.; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.","1H-Indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","11","o3135","","10.1107/S1600536812040573","","","0.71073","MoKα","","0.0333","0.0287","","","0.0659","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236238","8.8517","0.0003","10.3937","0.0005","10.5763","0.0004","63.836","0.002","69.023","0.002","72.394","0.002","803.22","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-phenylenebis(methan-1-yl-1-ylidene))bis(1-(thiophen-2-yl)methanamine)","1-(Thiophen-2-yl)-N-(4-{(E)-[(thiophen-2- yl)methyl]iminomethyl}benzylidene)methanamine","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C36 H32 N4 S4 -","2","1","GO2071","Chiririwa, Haleden; Moss, John R.; Hendricks, Denver; Meijboom, Reinout","1-(Thiophen-2-yl)-N-(4-{(E)-[(thiophen-2-yl)methyl]iminomethyl}benzylidene)methanamine","Acta Crystallographica Section E","2012","68","11","o3137","","10.1107/S1600536812040809","","","0.71073","MoKα","","0.0696","0.0452","","","0.1086","0.1251","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236239","12.2193","0.0009","5.5784","0.0005","10.4885","0.0007","90","","91.887","0.004","90","","714.55","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Piperidine-1-carboximidamide","","- C6 H13 N3 -","- C6 H13 N3 -","- C24 H52 N12 -","4","1","GO2073","Tiritiris, Ioannis","Piperidine-1-carboximidamide","Acta Crystallographica Section E","2012","68","11","o3253","","10.1107/S1600536812044467","","","1.54178","CuKα","","0.0588","0.0445","","","0.1037","0.1122","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236240","15.1666","0.0009","10.0472","0.0006","12.436","0.0008","90","","113.931","0.002","90","","1732.11","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-Benzylspiro[chromene-2,4'-piperidine]-4-carbonitrile","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","1","GW2123","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.","1'-Benzylspiro[chromene-2,4'-piperidine]-4-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2732","","10.1107/S1600536812035568","","","0.71073","MoKα","","0.1039","0.0492","","","0.1248","0.1515","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236241","10.1952","0.0011","21.223","0.0017","10.1601","0.001","90","","100.771","0.009","90","","2159.6","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,3,7,8,12,13,17,18-Octaethylporphyrinato-κ^4^N)cobalt(II)‒2-nitrobenzaldehyde (1/2)","","- C50 H54 Co N6 O6 -","- C50 H54 Co N6 O6 -","- C100 H108 Co2 N12 O12 -","2","0.5","GW2124","Mansour, Anissa; Daran, Jean-Claude; Nasri, Habib","(2,3,7,8,12,13,17,18-Octaethylporphyrinato-κ^4^N)cobalt(II)‒2-nitrobenzaldehyde (1/2)","Acta Crystallographica Section E","2012","68","9","m1214","","10.1107/S1600536812036112","","","0.71073","MoKα","","0.1004","0.0792","","","0.1836","0.1966","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236242","10.1092","0.0011","10.3408","0.0011","10.819","0.0014","82.284","0.01","85.991","0.01","64.721","0.011","1013.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 3,3'-[(4,5-dicyano-1,2-phenylene)bis(oxy)]dibenzoate","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C48 H32 N4 O12 -","2","1","HB6852","Bai, Ming; Zhang, Yan; Zhang, Chongxi","Dimethyl 3,3'-[(4,5-dicyano-1,2-phenylene)bis(oxy)]dibenzoate","Acta Crystallographica Section E","2012","68","9","o2611","","10.1107/S1600536812027432","","","1.54178","CuKα","","0.0489","0.0394","","","0.1092","0.1192","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236243","8.3642","0.0008","22.032","0.002","12.4485","0.0013","90","","92.311","0.003","90","","2292.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2- methyl-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidin-4-one nitrate","","- C23 H29 F N5 O6 -","- C23 H29 F N5 O6 -","- C92 H116 F4 N20 O24 -","4","1","HB6895","Ge, Jingshui; Luo, Yang-Hui","Paliperidonium nitrate","Acta Crystallographica Section E","2012","68","10","o2932","","10.1107/S160053681203841X","","","0.71075","MoKα","","0.1216","0.063","","","0.1535","0.1779","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236244","14.7716","0.0005","23.7255","0.0009","18.0458","0.0007","90","","90.325","0.003","90","","6324.3","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Cryptand-222)potassium bis(cyanato-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N) cobaltate(III) chlorobenzene hemisolvate","","- C67 H66.5 Cl0.5 Co K N8 O8 -","- C64 H64 Co K N8 O8 -","- C256 H256 Co4 K4 N32 O32 -","4","1","HB6905","Belhaj Ali, Bader; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","(2.2.2-Cryptand)potassium bis(cyanato-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)cobaltate(III) chlorobenzene hemisolvate","Acta Crystallographica Section E","2012","68","10","m1262","m1263","10.1107/S1600536812038317","","","0.71073","MoKα","","0.0611","0.0448","","","0.1149","0.1216","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236245","24.8732","0.001","8.9875","0.0004","21.3722","0.0009","90","","114.921","0.001","90","","4332.9","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro- 5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide","","- C27 H16 F2 N2 O4 -","- C27 H16 F2 N2 O4 -","- C216 H128 F16 N16 O32 -","8","2","HB6906","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide","Acta Crystallographica Section E","2012","68","9","o2619","o2620","10.1107/S160053681203365X","","","0.71073","MoKα","","0.0775","0.0562","","","0.154","0.1678","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236246","9.6541","0.0004","30.9983","0.0014","24.3469","0.001","90","","97.93","0.001","90","","7216.4","0.5","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5-Triphenyl-2H-tetrazol-3-ium iodide","","- C19 H15 I N4 -","- C19 H15 I N4 -","- C304 H240 I16 N64 -","16","4","HB6907","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Abunassif, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2H-tetrazol-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2621","","10.1107/S1600536812033661","","","0.71073","MoKα","","0.0889","0.0751","","","0.1663","0.1718","","","","","","1.261","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236247","24.7506","0.0012","12.1689","0.0006","12.8408","0.0005","90","","90","","90","","3867.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-[(E)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]- 6-hydroxyphenolate","","- C19 H18 N4 O4 S -","- C19 H18 N4 O4 S -","- C152 H144 N32 O32 S8 -","8","1","HB6908","Tahir, M. Nawaz; Khan, Abdul Haleem; Iqbal, Mohammad S.; Shad, Hazoor Ahmad; Yaqub, Muhammad","2-[(E)-({4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]-6-hydroxyphenolate","Acta Crystallographica Section E","2012","68","9","o2687","","10.1107/S1600536812034757","","","0.71073","MoKα","","0.1411","0.0543","","","0.1152","0.1508","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236248","12.1721","0.0005","7.7697","0.0003","27.22","0.0008","90","","90","","90","","2574.29","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-2-Benzylidenebenzo[d]thiazolo[3,2-a]imidazol- 3(2H)-one","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C128 H80 N16 O8 S8 -","8","1","HB6910","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(Z)-2-Benzylidenebenzo[d]thiazolo[3,2-a]imidazol-3(2H)-one","Acta Crystallographica Section E","2012","68","9","o2705","","10.1107/S1600536812035003","","","1.54178","CuKα","","0.0529","0.0456","","","0.1205","0.1269","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236249","10.4078","0.0002","14.0839","0.0003","14.2468","0.0003","87.595","0.002","80.875","0.002","86.85","0.002","2057.62","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(1,5-Diphenyl-4-phenylsulfonyl-1H-pyrazol-3-yl)ethanone","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","2","HB6911","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","1-(1,5-Diphenyl-4-phenylsulfonyl-1H-pyrazol-3-yl)ethanone","Acta Crystallographica Section E","2012","68","9","o2725","","10.1107/S1600536812035027","","","1.54178","CuKα","","0.0466","0.0416","","","0.1195","0.1227","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236250","9.7106","0.0002","8.9468","0.0002","9.8487","0.0002","90","","101.425","0.001","90","","838.69","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Oxo-3-(piperidin-1-yl)propanenitrile","","- C8 H12 N2 O -","- C8 H12 N2 O -","- C32 H48 N8 O4 -","4","1","HB6912","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","3-Oxo-3-(piperidin-1-yl)propanenitrile","Acta Crystallographica Section E","2012","68","9","o2726","","10.1107/S1600536812035015","","","1.54178","CuKα","","0.0542","0.0526","","","0.1259","0.1283","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236251","9.7836","0.0004","6.3682","0.0003","16.233","0.0006","90","","100.351","0.003","90","","994.92","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)- 3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C48 H36 N4 O6 S2 -","2","1","HB6913","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(Z)-2-(5-Acetyl-4-methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-3-(3-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile","Acta Crystallographica Section E","2012","68","9","o2727","","10.1107/S1600536812035039","","","1.54178","CuKα","","0.0616","0.044","","","0.1096","0.1191","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236252","8.9507","0.0001","10.7929","0.0002","15.0204","0.0002","90","","95.126","0.001","90","","1445.23","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyclopentylidenehydrazinecarboxamide","","- C6 H11 N3 O -","- C6 H11 N3 O -","- C48 H88 N24 O8 -","8","2","HB6915","Fun, Hoong-Kun; Loh, Wan-Sin; Padaki, Mahesh; Isloor, Arun M.; Isloor, Nishitha A.","2-Cyclopentylidenehydrazinecarboxamide","Acta Crystallographica Section E","2012","68","9","o2675","o2676","10.1107/S1600536812034599","","","0.71073","MoKα","","0.0757","0.0487","","","0.0993","0.1138","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236253","6.5952","0.0013","13.696","0.003","17.039","0.003","90","","92.93","0.002","90","","1537.1","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimorpholinium tetrachloridocobaltate(II)","","- C8 H20 Cl4 Co N2 O2 -","- C8 H20 Cl4 Co N2 O2 -","- C32 H80 Cl16 Co4 N8 O8 -","4","1","HB6916","Cao, Xing-Xing; Cheng, He-Long; Feng, Qing-Liu; Chen, Li-Zhuang","Dimorpholinium tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","9","m1198","","10.1107/S1600536812035830","","","0.71073","MoKα","","0.0244","0.0216","","","0.0701","0.0741","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236254","28.5425","0.0017","9.547","0.0005","11.4047","0.0007","90","","103.224","0.002","90","","3025.3","0.3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2,3-Dibromo-3-(4-chlorophenyl)-1-(4-nitrothiophen-2-yl)propan-1-one","","- C13 H8 Br2 Cl N O3 S -","- C13 H8 Br2 Cl N O3 S -","- C104 H64 Br16 Cl8 N8 O24 S8 -","8","1","HB6917","Fun, Hoong-Kun; Arshad, Suhana; Shetty, Shobhitha; Kalluraya, Balakrishna; Babu, M.","2,3-Dibromo-3-(4-chlorophenyl)-1-(4-nitrothiophen-2-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2681","","10.1107/S1600536812034551","","","0.71073","MoKα","","0.0522","0.0411","","","0.1057","0.1121","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236255","6.7502","0.0003","10.1253","0.0005","13.7792","0.0008","105.354","0.001","98.976","0.001","107.369","0.001","838.01","0.07","100","1","100","0.1","","","","","","","","6","P -1","-P 1","2","","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1- yl]butan-1-one","","- C19 H18 Br F N2 O -","- C19 H18 Br F N2 O -","- C38 H36 Br2 F2 N4 O2 -","2","1","HB6918","Fun, Hoong-Kun; Loh, Wan-Sin; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one","Acta Crystallographica Section E","2012","68","9","o2655","o2656","10.1107/S1600536812034368","","","0.71073","MoKα","","0.0278","0.0246","","","0.0648","0.0663","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236256","3.9376","0.0004","20.999","0.003","13.27","0.0015","90","","95.035","0.007","90","","1093","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine","","- C12 H9 Br F N O -","- C12 H9 Br F N O -","- C48 H36 Br4 F4 N4 O4 -","4","1","HB6919","Adeel, Muhammad; Elahi, Fazal; Tahir, M. Nawaz","5-(5-Bromo-2-methoxyphenyl)-2-fluoropyridine","Acta Crystallographica Section E","2012","68","9","o2654","","10.1107/S1600536812034435","","","0.71073","MoKα","","0.0635","0.0347","","","0.0615","0.068","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236257","8.8468","0.0007","10.7392","0.0008","10.9764","0.0008","113.377","0.002","90.656","0.002","104.695","0.002","918.52","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-3,5-dimethoxy-2-{[2-(4-methoxybenzoyl)hydrazin-1- ylidene]methyl}benzoate","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","HB6920","Naz, Humera; Taha, Muhammad; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Yousuf, Sammer","Methyl (E)-3,5-dimethoxy-2-{[2-(4-methoxybenzoyl)hydrazin-1-ylidene]methyl}benzoate","Acta Crystallographica Section E","2012","68","9","o2671","","10.1107/S1600536812034782","","","0.71073","MoKα","","0.0819","0.0469","","","0.0986","0.1142","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236258","14.569","0.002","7.2737","0.001","11.3933","0.0015","90","","108.827","0.003","90","","1142.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","HB6921","Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","(2E)-3-(2-Fluorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2658","","10.1107/S1600536812034411","","","0.71073","MoKα","","0.0604","0.0415","","","0.1072","0.1205","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236259","5.4954","0.0003","15.5097","0.001","15.5106","0.0009","90","","94.043","0.003","90","","1318.71","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Benzenesulfonamido-3-methylbutyric acid","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","2","HB6922","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Aabideen, Zain Ul; Asiri, Abdullah M.","2-Benzenesulfonamido-3-methylbutyric acid","Acta Crystallographica Section E","2012","68","9","o2665","","10.1107/S1600536812034393","","","0.71073","MoKα","","0.0411","0.0358","","","0.0906","0.0934","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236260","4.7603","0.0001","11.4614","0.0003","26.6255","0.0006","90","","90","","90","","1452.68","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C72 H56 Br4 N4 O4 -","4","1","HB6923","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","9","o2657","","10.1107/S1600536812034423","","","0.71073","MoKα","","0.0345","0.0287","","","0.0593","0.0612","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236261","18.663","0.0016","17.1713","0.0015","22.5648","0.0019","90","","90","","90","","7231.3","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Diphenyl-N-(2,4,5-trichlorophenyl)acetamide","","- C20 H14 Cl3 N O -","- C20 H14 Cl3 N O -","- C320 H224 Cl48 N16 O16 -","16","2","HB6924","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-N-(2,4,5-trichlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2659","o2660","10.1107/S160053681203440X","","","0.71073","MoKα","","0.0808","0.0467","","","0.0992","0.1136","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236262","14.9176","0.0008","6.6527","0.0004","19.5792","0.001","90","","110.689","0.001","90","","1817.78","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)- 2-[4-(methylsulfanyl)phenyl]acetamide","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C80 H84 N12 O8 S4 -","4","1","HB6925","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","9","o2677","","10.1107/S1600536812034605","","","0.71073","MoKα","","0.055","0.0416","","","0.1066","0.1158","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236263","4.7146","0.0006","22.999","0.003","13.535","0.0015","90","","91.138","0.003","90","","1467.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-N-(2,6-dimethylphenyl)acetamide","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","HB6926","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-N-(2,6-dimethylphenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2678","","10.1107/S1600536812034617","","","0.71073","MoKα","","0.1391","0.052","","","0.1077","0.1425","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236264","13.9169","0.0013","5.5188","0.0005","15.1836","0.0014","90","","100.311","0.002","90","","1147.34","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C44 H36 Cl4 N8 O4 S4 -","4","1","HB6927","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Chlorophenyl)-N-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2012","68","9","o2679","","10.1107/S1600536812034629","","","0.71073","MoKα","","0.0464","0.0359","","","0.1063","0.116","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236265","13.7017","0.001","14.1585","0.001","8.2698","0.0005","90","","93.151","0.003","90","","1601.88","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2Z)-N-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1H-indol- 3-ylidene)hydrazinecarbothioamide","","- C16 H13 Cl N4 O S -","- C16 H13 Cl N4 O S -","- C64 H52 Cl4 N16 O4 S4 -","4","1","HB6928","Pervez, Humayun; Khan, Nazia; Iqbal, Mohammad S.; Yaqub, Muhammad; Tahir, M. Nawaz","(2Z)-N-(2-Chlorobenzyl)-2-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","9","o2731","","10.1107/S1600536812035076","","","0.71073","MoKα","","0.0785","0.043","","","0.0921","0.1053","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236266","6.6878","0.0005","7.042","0.0005","29.249","0.002","90","","94.233","0.002","90","","1373.74","0.17","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Methoxy-N'-[(pyridin-4-yl)methylidene]benzohydrazide monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","HB6930","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Sammer, Yousuf","(E)-4-Methoxy-N'-[(pyridin-4-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2778","","10.1107/S1600536812034988","","","0.71073","MoKα","","0.0876","0.0468","","","0.1096","0.1464","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236267","19.9229","0.0001","19.9229","","7.3302","0.0001","90","","90","","90","","2909.52","0.04","100","2","100","2","","","","","","","","3","P 42","P 4c","77","(20S)-Dammar-24-ene-3β,20-diol","(1R,2R,5R,7R,10R,11R,14S, 15R)-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11- pentamethyltetracyclo[8.7.0.0^2,7^.0^11,15^]heptadecan-5-ol monohydrate","","- C30 H54 O3 -","- C30 H54 O3 -","- C120 H216 O12 -","4","1","HB6931","Safariari, Agus; Supriadin, Asep; Supratman, Unang; Awang, Khalijah; Ng, Seik Weng","(20S)-Dammar-24-ene-3β,20-diol monohydrate from the bark of Aglaia exima (Meliaceae)","Acta Crystallographica Section E","2012","68","9","o2712","o2713","10.1107/S1600536812034976","","","1.54184","CuKα","","0.0818","0.0768","","","0.2605","0.2656","","","","","","1.147","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236268","16.487","0.005","13.571","0.004","20.903","0.005","90","","125.297","0.005","90","","3817.2","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonylbis(triphenylphosphane-κP)iridium(I) hexafluoridophosphate methanol monosolvate","","- C40 H34 F6 Ir O4 P3 -","- C40 H34 F6 Ir O4 P3 -","- C160 H136 F24 Ir4 O16 P12 -","4","1","HB6932","Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas","Tricarbonylbis(triphenylphosphane-κP)iridium(I) hexafluoridophosphate methanol monosolvate","Acta Crystallographica Section E","2012","68","9","m1187","m1188","10.1107/S1600536812035593","","","0.71069","MoKα","","0.0225","0.0188","","","","0.0441","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236269","5.1513","0.0004","10.6761","0.0009","13.2849","0.0008","90","","93.689","0.004","90","","729.1","0.09","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","N-Acetyl-5-chloro-3-nitro-L-tyrosine ethyl ester","","- C13 H15 Cl N2 O6 -","- C13 H15 Cl N2 O6 -","- C26 H30 Cl2 N4 O12 -","2","1","HB6933","Mutahi, Teresa T.; Edagwa, Benson J.; Fronczek, Frank R.; Uppu, Rao M.","N-Acetyl-5-chloro-3-nitro-L-tyrosine ethyl ester","Acta Crystallographica Section E","2012","68","9","o2810","o2811","10.1107/S1600536812036380","","","1.54184","CuKα","","0.0345","0.0344","","","0.091","0.0912","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236270","21.1387","0.0012","5.4443","0.0002","18.3484","0.0011","90","","107.81","0.007","90","","2010.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}- 1,3,4-oxadiazol-2-yl)methanesulfonamide","","- C18 H16 Cl N3 O5 S2 -","- C18 H16 Cl N3 O5 S2 -","- C72 H64 Cl4 N12 O20 S8 -","4","1","HB6934","Muralikrishna, A.; Kannan, M.; Padmavathi, V.; Padmaja, A.; Krishna, R.","N-(4-Chlorophenyl)-1-(5-{[(2-phenylethenyl)sulfonyl]methyl}-1,3,4-oxadiazol-2-yl)methanesulfonamide","Acta Crystallographica Section E","2012","68","10","o2954","","10.1107/S1600536812037300","","","0.7107","MoKα","","0.1032","0.051","","","0.1305","0.1712","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236271","7.2396","0.0008","10.5918","0.0011","11.7718","0.0015","90","","99.122","0.001","90","","891.25","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Phenylcarbamoyl)acrylic acid","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","HB6935","Jin, Shouwen; Huang, Yanfei; Wei, Shuaishuai; Zhou, Yong; Zhou, Yingping","3-(Phenylcarbamoyl)acrylic acid","Acta Crystallographica Section E","2012","68","9","o2736","","10.1107/S1600536812035581","","","0.71073","MoKα","","0.0867","0.0493","","","0.1282","0.1572","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236272","12.2633","0.001","7.4805","0.0006","14.5767","0.0011","90","","101.576","0.004","90","","1310","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","HB6936","Tahir, M. Nawaz; Khan, Abdul Haleem; Tariq, Muhammad Ilyas; Hussain, Ishtiaq; Shafiq, Muhammad","4-Bromo-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2730","","10.1107/S1600536812035635","","","0.71073","MoKα","","0.0471","0.0283","","","0.0666","0.0731","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236273","11.1846","0.0007","11.1909","0.0007","13.1806","0.0008","90","","110.368","0.001","90","","1546.61","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Methoxy-N'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","HB6938","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Yousuf, Sammer","(E)-4-Methoxy-N'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2846","","10.1107/S1600536812036550","","","0.71073","MoKα","","0.0555","0.042","","","0.1049","0.1144","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236274","10.2317","0.0004","26.2823","0.0008","7.8406","0.0003","90","","109.122","0.002","90","","1992.1","0.13","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3'R)-3'-Benzyl-2',3'-dihydro-1H-spiro[indole-3,1'- naphtho[2,3-c]pyrrole]-2,4',9'-trione","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C104 H72 N8 O12 -","4","1","HB6939","Sharma, Garima; Kumar, S. Vasanth; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(3'R)-3'-Benzyl-2',3'-dihydro-1H-spiro[indole-3,1'-naphtho[2,3-c]pyrrole]-2,4',9'-trione","Acta Crystallographica Section E","2012","68","9","o2769","o2770","10.1107/S1600536812036227","","","0.71073","MoKα","","0.1204","0.0644","","","0.1505","0.1775","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236275","9.3334","0.0005","10.3635","0.0004","27.8258","0.0011","90","","92.924","0.004","90","","2688","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide","","- C25 H29 Br N4 O3 S2 -","- C25 H29 Br N4 O3 S2 -","- C100 H116 Br4 N16 O12 S8 -","4","1","HB6940","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2767","","10.1107/S1600536812036185","","","0.71073","MoKα","","0.0886","0.0536","","","0.1055","0.1228","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236276","14.6921","0.0014","9.7598","0.0003","13.1195","0.0013","90","","133.608","0.017","90","","1362.2","0.4","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis{2,4-dibromo-6-[(E)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^N,O}cobalt(II)","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","HB6941","Yu, Hong; Chen, Zhu-Jun; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei","Bis{2,4-dibromo-6-[(E)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^N,O}cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1423","","10.1107/S1600536812043929","","","0.71073","MoKα","","0.0448","0.0374","","","0.0749","0.0787","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236277","14.1575","0.0002","6.9399","0.0001","15.975","0.0002","90","","101.591","0.001","90","","1537.56","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-oxo-3H-benzo[f]chromen-1-yl)methyl N,N-dimethylcarbamodithioate","","- C17 H15 N O2 S2 -","- C17 H15 N O2 S2 -","- C68 H60 N4 O8 S8 -","4","1","HB6942","Mahabaleshwaraiah, N. M.; Ravi, H. R.; Vinduvahini, M.; Sreepad, H. R.; Kotresh, O.","(3-Oxo-3H-benzo[f]chromen-1-yl)methyl N,N-dimethylcarbamodithioate","Acta Crystallographica Section E","2012","68","10","o3001","","10.1107/S160053681203975X","","","0.71073","MoKα","","0.0391","0.0343","","","0.0994","0.1035","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236278","12.289","0.003","14.185","0.003","10.98","0.002","90","","98.21","0.03","90","","1894.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl N-{4-[N-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HB6946","Yu, Hai-Yang; Fang, Xin; Huang, Ming-Dong; Wang, Jun-Dong","tert-Butyl N-{4-[N-(4-hydroxyphenyl)carbamoyl]benzyl}carbamate","Acta Crystallographica Section E","2012","68","10","o3023","","10.1107/S1600536812036999","","","0.71073","MoKα","","0.0598","0.0556","","","0.1617","0.1658","","","","","","1.134","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236279","9.8318","0.0003","10.3822","0.0003","13.4393","0.0004","96.654","0.003","103.085","0.003","107.714","0.003","1247.36","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide","","- C23 H25 Br N4 O3 S2 -","- C23 H25 Br N4 O3 S2 -","- C46 H50 Br2 N8 O6 S4 -","2","1","HB6947","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2831","","10.1107/S1600536812037257","","","0.71073","MoKα","","0.0474","0.0366","","","0.0864","0.0931","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236280","7.485","0.002","10.834","0.003","11.673","0.003","73.858","0.005","77.961","0.006","76.941","0.006","874.9","0.4","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(E)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","HB6948","Fadzillah, Siti Muhaini Haris; Ngaini, Zainab; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(E)-1-[4-(Hexyloxy)phenyl]-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2909","","10.1107/S1600536812038007","","","0.71073","MoKα","","0.0513","0.0412","","","0.1179","0.1326","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236281","8.3998","0.0001","11.2082","0.0002","12.4816","0.0002","112.004","0.001","96.85","0.001","93.191","0.001","1075.28","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4'-(3-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]- 1,3,1''-trione","","- C27 H20 Br N O3 -","- C27 H20 Br N O3 -","- C54 H40 Br2 N2 O6 -","2","1","HB6949","Wei, Ang Chee; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","4'-(3-Bromophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione","Acta Crystallographica Section E","2012","68","10","o2907","o2908","10.1107/S1600536812037993","","","0.71073","MoKα","","0.0309","0.0278","","","0.0737","0.0752","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236282","13.8663","0.0012","12.3512","0.001","7.6947","0.0006","90","","96.39","0.002","90","","1309.65","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl (E)-3-(6-methyl-4-oxo-4H-chromen-3-yl)prop-2-enoate","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","HB6950","Yousuf, Sammer; Mukhtar, Asma; Ambreen, Nida; Saad, Syed Muhammad; Khan, Khalid M.","Ethyl (E)-3-(6-methyl-4-oxo-4H-chromen-3-yl)prop-2-enoate","Acta Crystallographica Section E","2012","68","10","o2948","","10.1107/S1600536812038585","","","0.71073","MoKα","","0.0714","0.0475","","","0.1262","0.142","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236283","11.517","0.0014","13.9586","0.0015","26.413","0.003","90","","90","","90","","4246.2","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C22 H24 O10 -","- C22 H24 O10 -","- C176 H192 O80 -","8","1","HB6952","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2961","","10.1107/S1600536812039219","","","0.71073","MoKα","","0.0799","0.0415","","","0.0854","0.0957","","","","","","0.895","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236284","5.8376","0.001","9.4895","0.0017","14.924","0.003","99.926","0.004","98.545","0.004","100.462","0.004","786.9","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Tetra-tert-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C32 H44 O10 -","- C32 H44 O10 -","- C32 H44 O10 -","1","0.5","HB6953","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetra-tert-butyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2962","","10.1107/S1600536812039220","","","0.71073","MoKα","","0.0481","0.0399","","","0.0977","0.1037","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236285","25.1309","0.0018","10.084","0.0007","9.5922","0.0007","90","","95.43","0.002","90","","2419.9","0.3","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexamethyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-1,4,5,6,11,12-hexacarboxylate","","- C24 H24 O14 -","- C24 H24 O14 -","- C96 H96 O56 -","4","0.5","HB6954","Lough, Alan J.; Jack, Kelsey; Tam, William","Hexamethyl 13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-1,4,5,6,11,12-hexacarboxylate","Acta Crystallographica Section E","2012","68","10","o2963","","10.1107/S1600536812039232","","","0.71073","MoKα","","0.043","0.0351","","","0.0924","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236286","8.6268","0.0007","22.487","0.002","4.0585","0.0003","90","","90","","90","","787.31","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-Bromo-1,3-benzothiazol-2-amine","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C28 H20 Br4 N8 S4 -","4","1","HB6956","Gao, Xing-Jun; Jin, Shou-Wen; Huang, Yan-Fei; Zhou, Yong; Zhou, Ying-Ping","6-Bromo-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","10","o3016","","10.1107/S1600536812040123","","","0.71073","MoKα","","0.1404","0.0953","","","0.2108","0.2455","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236287","7.5568","0.0006","9.7747","0.0007","15.3533","0.0012","90","","95.83","0.007","90","","1128.21","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(Pyridin-1-ium-2-yl)pyridin-1-ium dibromide","2,2'-Bipyridine-1,1'-diium; dibromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C40 H40 Br8 N8 -","4","1","HB6957","Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.","Redetermination of 2,2'-bipyridine-1,1'-diium dibromide","Acta Crystallographica Section E","2012","68","10","o3033","","10.1107/S1600536812040214","","","0.71073","MoKα","","0.065","0.0369","","","0.0646","0.0729","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236288","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","HB6958","Wei, Shuaishuai; Jin, Shouwen; Hu, Zhaofeng; Zhou, Yong; Zhou, Yingping","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2012","68","11","o3117","","10.1107/S1600536812041906","","","0.71073","MoKα","","0.0669","0.0466","","","0.0969","0.1047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236289","3.9466","0.0001","10.5956","0.0004","14.3647","0.0006","74.656","0.002","82.595","0.002","79.426","0.002","567.39","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","HB6959","Dileep, C. S.; Abdoh, M. M. M; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.","(E)-N'-[1-(Thiophen-2-yl)ethylidene]isonicotinohydrazide","Acta Crystallographica Section E","2012","68","10","o2972","","10.1107/S1600536812039426","","","0.71073","MoKα","","0.0412","0.0352","","","0.0976","0.1044","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236290","8.6541","0.0001","25.8809","0.0003","18.3892","0.0002","90","","92.208","0.001","90","","4115.68","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3- c][1,2]benzothiazin-2-yl)-N-(3-methoxybenzyl)acetamide","","- C21 H22 N4 O4 S -","- C21 H22 N4 O4 S -","- C168 H176 N32 O32 S8 -","8","2","HB6961","Ahmad, Matloob; Siddiqui, Hamid Latif; Zia-ur-Rehman, Muhammad; Aslam, Sana; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(3-methoxybenzyl)acetamide","Acta Crystallographica Section E","2012","68","11","o3064","o3065","10.1107/S1600536812040226","","","1.54178","CuKα","","0.0465","0.0358","","","0.0901","0.0979","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236291","7.7426","0.0017","23.473","0.002","20.1975","0.0016","90","","100.495","0.002","90","","3609.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Dimethylamino-N'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","","- C18 H23 N3 O4 -","- C18 H23 N3 O4 -","- C144 H184 N24 O32 -","8","2","HB6963","Sun, Jingya","4-Dimethylamino-N'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","o2998","","10.1107/S1600536812039906","","","0.71073","MoKα","","0.148","0.052","","","0.1124","0.1552","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236292","11.26","0.0016","11.4025","0.0017","14.8398","0.0016","90","","123.773","0.007","90","","1583.8","0.4","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2- (1-phenylethylidene)hydrazine","","- C16 H13 Cl2 F3 N2 -","- C16 H13 Cl2 F3 N2 -","- C64 H52 Cl8 F12 N8 -","4","1","HB6964","Fun, Hoong-Kun; Loh, Wan-Sin; Bhat, Manjunath; Arulmoli, T.; Nagaraja, G. K.","(2E)-1-[2,3-Dichloro-6-methyl-5-(trifluoromethyl)phenyl]-2-(1-phenylethylidene)hydrazine","Acta Crystallographica Section E","2012","68","11","o3189","","10.1107/S1600536812042419","","","0.71073","MoKα","","0.0341","0.0293","","","0.0867","0.0903","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236293","7.0927","0.0003","25.9711","0.0011","8.7487","0.0004","90","","91.584","0.004","90","","1610.94","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 F O4 -","- C18 H17 F O4 -","- C72 H68 F4 O16 -","4","1","HB6965","Prabuswamy, M.; Madan Kumar, S.; Bhuvaneshwar, D.; Murthy, Ch. S. S. S.; Lokanath, N. K.","1-(2-Fluorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3190","","10.1107/S1600536812043139","","","0.71073","MoKα","","0.0723","0.0392","","","0.0908","0.1004","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236294","12.422","0.003","9.3721","0.0019","22.269","0.005","90","","92.46","0.03","90","","2590.2","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraamminelithium triamminelithium trisulfide","","- H21 Li2 N7 S3 -","- H21 Li2 N7 S3 -","- H168 Li16 N56 S24 -","8","2","HB6966","Guentner, Christian; Korber, Nikolaus","Tetraamminelithium triamminelithium trisulfide, [Li(NH~3~)~4~][Li(NH~3~)~3~S~3~]","Acta Crystallographica Section E","2012","68","11","i84","i85","10.1107/S1600536812043863","","","0.71073","MoKα","","0.0848","0.0399","","","0.0705","0.0787","","","","","","0.812","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236295","24.183","0.002","9.21","0.001","18.761","0.002","90","","130.151","0.002","90","","3193.9","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-Dimethylpyrazine-2,3-dicarbonitrile","","- C8 H6 N4 -","- C8 H6 N4 -","- C128 H96 N64 -","16","2","HB6967","Bardajee, Ghasem Rezanejade; Lough, Alan J.; Winnik, Mitchell A.","5,6-Dimethylpyrazine-2,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","11","o3220","","10.1107/S1600536812043474","","","0.71073","MoKα","","0.0522","0.0389","","","0.1003","0.1098","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236296","10.8191","0.0009","7.322","0.0006","15.4133","0.0013","90","","91.691","0.002","90","","1220.47","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate","","- C12 H8 N2 O6 -","- C12 H8 N2 O6 -","- C48 H32 N8 O24 -","4","1","HB6968","Bakthadoss, M.; Devaraj, A.; Lakshmanan, D.; Murugavel, S.","Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate","Acta Crystallographica Section E","2012","68","11","o3184","","10.1107/S1600536812043164","","","0.71073","MoKα","","0.0798","0.0455","","","0.1108","0.1285","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236297","8.192","0.002","14.52","0.002","8.734","0.0017","90","","98.466","0.002","90","","1027.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","HB6969","Zhang, Xiao-Yi; Han, Xiao-Lin; Qian, Zhi-Bin","2-Cyano-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3203","","10.1107/S1600536812042869","","","0.71073","MoKα","","0.1285","0.0637","","","0.1159","0.1428","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236298","13.6081","0.0006","14.5662","0.0005","14.7502","0.0007","74.439","0.004","69.077","0.004","62.581","0.004","2405.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)benzenesulfonamide","","- C22 H23 Br N4 O3 S2 -","- C22 H23 Br N4 O3 S2 -","- C88 H92 Br4 N16 O12 S8 -","4","2","HB6971","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3209","o3210","10.1107/S1600536812043668","","","0.71073","MoKα","","0.0776","0.0423","","","0.0858","0.1027","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236299","12.4508","0.0003","10.1924","0.0003","14.0188","0.0004","90","","100.953","0.002","90","","1746.63","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Oxo-3H-benzo[f]chromen-1-yl)methyl piperidine-1-carbodithioate","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C80 H76 N4 O8 S8 -","4","1","HB6973","Kotresh, O.; Kumar, K. Mahesh; Mahabaleshwaraiah, N. M.; Arunkashi, H. K.; Devarajegowda, H. C.","(3-Oxo-3H-benzo[f]chromen-1-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2012","68","11","o3167","","10.1107/S1600536812042870","","","0.71073","MoKα","","0.0456","0.034","","","0.0776","0.0817","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236300","12.2394","0.0005","5.5009","0.0002","14.5537","0.0011","90","","116.631","0.004","90","","875.92","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Chloromethylsulfinyl-2-nitrobenzene","","- C7 H6 Cl N O3 S -","- C7 H6 Cl N O3 S -","- C28 H24 Cl4 N4 O12 S4 -","4","1","HB6974","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Daran, Jean-Claude","1-Chloromethylsulfinyl-2-nitrobenzene","Acta Crystallographica Section E","2012","68","11","o3207","","10.1107/S1600536812043553","","","0.71073","MoKα","","0.0338","0.0263","","","0.0696","0.0712","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236301","5.4209","0.0001","24.4894","0.0005","10.0555","0.0002","90","","98.552","0.002","90","","1320.07","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-methoxyphenyl)ethanone","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","HB6975","Asiri, Abdullah M.; Abo-Dya, Nader E.; Arshad, Muhammad Nadeem; Alamry, Khalid A.; Shafiq, Muhammad","1-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","11","o3221","","10.1107/S1600536812043759","","","1.54184","CuKα","","0.0447","0.0391","","","0.1037","0.109","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236302","11.3426","0.0004","6.8512","0.0003","8.113","0.0003","90","","113.784","0.004","90","","576.92","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diammonium hydrogenarsenate(V)","","- As H9 N2 O4 -","- As H9 N2 O4 -","- As4 H36 N8 O16 -","4","1","HB6976","Weil, Matthias","Redetermination of (NH~4~)~2~HAsO~4~","Acta Crystallographica Section E","2012","68","11","i82","","10.1107/S1600536812043565","","","0.71073","MoKα","","0.0317","0.0221","","","0.0512","0.0551","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236303","8.0789","0.0001","9.2754","0.0002","11.3555","0.0002","71.283","0.001","72.645","0.001","70.042","0.001","740.3","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","","- C16 H12 Br F O3 S -","- C16 H12 Br F O3 S -","- C32 H24 Br2 F2 O6 S2 -","2","1","HB6977","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3208","","10.1107/S1600536812043607","","","0.71073","MoKα","","0.0334","0.0277","","","0.0712","0.0743","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236304","8.6177","0.0004","12.4157","0.0006","26.8632","0.0013","90","","90","","90","","2874.2","0.2","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epiclusianone","3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2- enyl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","HB6978","Christian, Omar E.; Fronczek, Frank R.; Ky, Khoa; Pradhan, Shreedu; Manandhar, Anjela; Richmond, Cecilia","Redetermination and absolute configuration of (+)-7-epiclusianone","Acta Crystallographica Section E","2012","68","11","o3222","o3223","10.1107/S1600536812043784","","","1.54184","CuKα","","0.0281","0.0279","","","0.0734","0.0735","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236305","11.287","0.002","13.572","0.003","16.307","0.003","109.03","0.03","102.98","0.03","93.93","0.03","2273.7","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[(1,10-phenanthroline-κ^2^N,N')bis(triphenylphosphane- κP)copper(I)] nonadecaoxidohexamolybdate(VI)","","- C96 H76 Cu2 Mo6 N4 O19 P4 -","- C96 H76 Cu2 Mo6 N4 O19 P4 -","- C96 H76 Cu2 Mo6 N4 O19 P4 -","1","0.5","HG5234","Gschwind, Fabienne; Jansen, Martin","Bis[(1,10-phenanthroline-κ^2^N,N')bis(triphenylphosphane-κP)copper(I)] nonadecaoxidohexamolybdate(VI)","Acta Crystallographica Section E","2012","68","9","m1206","m1207","10.1107/S1600536812036367","","","0.71073","MoKα","","0.0386","0.0261","","","0.0594","0.063","","","","","","0.856","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236306","20.517","0.002","4.8374","0.0005","21.366","0.003","90","","153.566","0.007","90","","944","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dimethoxy-2,2'-{[(E,E)-hydrazine-1,2- diylidene]bis(methanylylidene)}diphenol methanol disolvate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","0.5","HG5235","Randell, Nicholas M.; Thompson, Laurence K.; Dawe, Louise N.","6,6'-Dimethoxy-2,2'-{[(E,E)-hydrazine-1,2-diylidene]bis(methanylylidene)}diphenol methanol disolvate","Acta Crystallographica Section E","2012","68","9","o2711","","10.1107/S1600536812034940","","","0.71075","MoKα","","0.0698","0.0619","","","0.1865","0.1944","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236307","11.9235","0.0016","10.7836","0.0016","19.805","0.003","90","","97.252","0.003","90","","2526.1","0.6","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis[(Cyanido-κC)bis(1,10-phenanthroline-κ^2^N,N') copper(II)] pentakis(cyanido-κC)nitrosoferrate(II) dimethylformamide monosolvate","","- C58 H39 Cu2 Fe N17 O2 -","- C58 H39 Cu2 Fe N17 O2 -","- C116 H78 Cu4 Fe2 N34 O4 -","2","0.5","HG5236","Kozachuk, Olesia V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis[(cyanido-κC)bis(1,10-phenanthroline-κ^2^N,N')copper(II)] pentakis(cyanido-κC)nitrosoferrate(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","9","m1218","m1219","10.1107/S1600536812036264","","","0.71073","MoKα","","0.1022","0.0516","","","0.1091","0.1349","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236308","13.148","0.0005","5.5912","0.0002","19.7579","0.0007","90","","91.558","0.002","90","","1451.93","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-1,4-Diphenylbut-1-en-3-ynyl acetate","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","HG5238","Chen, Zheng-Wang; Chen, Hai-Chuan; Ye, Dong-Nai; Hu, Qiao-Sheng","(Z)-1,4-Diphenylbut-1-en-3-ynyl acetate","Acta Crystallographica Section E","2012","68","10","o2847","","10.1107/S1600536812037439","","","0.71073","MoKα","","0.069","0.0405","","","0.104","0.1234","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236309","8.727","0.001","11.682","0.0014","16.24","0.002","90","","98.938","0.005","90","","1635.5","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(4-Methylphenyl)-8,9-dihydro-7H- benzo[f]cyclopenta[b]quinolin-10(11H)-one","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","HG5239","Yang, Cao","11-(4-Methylphenyl)-8,9-dihydro-7H-benzo[f]cyclopenta[b]quinolin-10(11H)-one","Acta Crystallographica Section E","2012","68","9","o2746","","10.1107/S1600536812035659","","","0.71075","MoKα","","0.0535","0.0442","","","0.1186","0.1244","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236310","13.7535","0.0007","9.5266","0.0004","18.681","0.001","90","","102.829","0.003","90","","2386.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Hydroxyimino-5α-cholestane","","- C27 H47 N O -","- C27 H47 N O -","- C108 H188 N4 O4 -","4","2","HG5240","Uzzaman, Shams; Khanam, Hena; Mashrai, Ashraf; Mabkhot, Yahia Nasser; Husain, Ahmad","6-Hydroxyimino-5α-cholestane","Acta Crystallographica Section E","2012","68","10","o3037","o3038","10.1107/S1600536812040093","","","0.71073","MoKα","","0.0766","0.0494","","","0.1125","0.1291","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236311","7.927","0.0002","14.9656","0.0004","17.5565","0.0004","114.879","0.003","94.021","0.002","98.909","0.002","1845.3","0.1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(μ~2~-cyanido-κ^2^C:N)dicyanidotetrakis[tris(2- aminoethyl)amine- κ^3^N,N',N'',N''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate","","- C40 H84 Cu4 Fe3 N34 O8 -","- C40 H72 Cu4 Fe3 N34 O2 -","- C40 H72 Cu4 Fe3 N34 O2 -","1","0.5","HG5241","Kozachuk, Olesia V.; Rusanova, Julia A.; Nesterova, Oksana V.; Zubatyuk, Roman; Shishkin, Oleg V.","Tetrakis(μ~2~-cyanido-κ^2^C:N)dicyanidotetrakis[tris(2-aminoethyl)amine-κ^3^N,N',N'',N''']tetracopper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate","Acta Crystallographica Section E","2012","68","10","m1266","m1267","10.1107/S1600536812038251","","","0.7107","MoKα","","0.0834","0.0507","","","0.1262","0.1381","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236312","6.1619","0.0001","10.3119","0.0002","16.5959","0.0003","75.6705","0.0007","80.0939","0.0007","85.941","0.0007","1006.04","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6- carboxylate","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C50 H52 N4 O6 -","2","1","HG5242","Penthala, Narsimha Reddy; Ponugoti, Purushotham Rao; Parkin, Sean; Crooks, Peter A.","rac-(Z)-Methyl 1-benzyl-3-[(3-hydroxyquinuclidin-2-ylidene)methyl]-1H-indole-6-carboxylate","Acta Crystallographica Section E","2012","68","11","o3111","","10.1107/S1600536812040731","","","0.71073","MoKα","","0.0495","0.039","","","0.0966","0.1023","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236313","11.895","0.005","21.847","0.005","16.245","0.005","90","0.005","109.707","0.005","90","0.005","3974","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ~3~-hydroxido-tetrakis[tricarbonylrhenium(I)] pyridine tetrasolvate","","- C32 H24 N4 O16 Re4 -","- C32 H24 N4 O16 Re4 -","- C128 H96 N16 O64 Re16 -","4","1","HG5243","Schutte, M.; Brink, A.; Visser, H. G.; Roodt, A.","Tetra-μ~3~-hydroxido-tetrakis[tricarbonylrhenium(I)] pyridine tetrasolvate","Acta Crystallographica Section E","2012","68","9","m1208","m1209","10.1107/S1600536812036033","","","0.71073","MoKα","","0.0569","0.043","","","","0.0993","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236314","7.8743","0.0008","6.0582","0.0006","11.6278","0.001","90","","91.973","0.006","90","","554.36","0.09","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyanopyridine N-oxide","4-cyanopyridine N-oxide","","- C6 H4 N2 O -","- C6 H4 N2 O -","- C24 H16 N8 O4 -","4","1","HG5244","Moreno-Fuquen, Rodolfo; Arana, Carolina; De Simone, Carlos A.","Redetermination of 4-cyanopyridine N-oxide","Acta Crystallographica Section E","2012","68","9","o2805","","10.1107/S1600536812036690","","","0.71073","MoKα","","0.0702","0.0568","","","0.1536","0.1687","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236315","5.8542","0.0012","9.0365","0.0018","11.352","0.002","108.59","0.03","93.94","0.03","101.23","0.03","552.8","0.2","294","2","294","2","","","","","","","","4","P 1","P 1","1","","Benzyl 2-benzyl-4-[(3aS,7aR)-2,3,3a,4,5,6,7,7a- octahydro-1H-isoindol-2-yl]-4-oxobutanoate","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C26 H31 N O3 -","1","1","HG5245","Shang, Zhenhua; Xu, Longpeng; Zheng, Ligang; Zhang, Yong","Benzyl 2-benzyl-4-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-2-yl]-4-oxobutanoate","Acta Crystallographica Section E","2012","68","10","o2853","","10.1107/S1600536812037567","","","0.71073","MoKα","","0.0673","0.0428","","","0.0929","0.1056","","","","","","0.888","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236316","23.892","0.002","7.9999","0.0008","15.4182","0.0015","90","","90.028","0.001","90","","2946.9","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 7-methoxytetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca-1(12),5,8,10-tetraene-3,4-dicarboxylate","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","HG5246","Moazeni, Amin; Bender, Christopher O.; Boeré, René T.","Dimethyl 7-methoxytetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca-1(12),5,8,10-tetraene-3,4-dicarboxylate","Acta Crystallographica Section E","2012","68","10","o2837","","10.1107/S1600536812037233","","","0.71073","MoKα","","0.039","0.0339","","","0.0908","0.0941","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236317","8.0665","0.0006","9.7653","0.0007","21.3191","0.0015","90","","105.56","0.002","90","","1617.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Methoxy-9-(2-methoxyphenyl)-9H-xanthene","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","HG5247","Jacobs, Ayesha; Amombo Noa, Francoise M.; Taljaard, Jana H.","9-Methoxy-9-(2-methoxyphenyl)-9H-xanthene","Acta Crystallographica Section E","2012","68","10","o2854","","10.1107/S1600536812037415","","","0.71073","MoKα","","0.0725","0.0432","","","0.1026","0.1166","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236318","10.722","0.005","22.297","0.003","9.109","0.003","90","","123.57","0.006","90","","1814.5","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-[(Phenylcarbamoyl)amino]butyl N-phenylcarbamate","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","HG5248","Mohamed, Shaaban K.; Bogdanović, Goran A.; Akkurt, Mehmet; Abdelhamid, Antar A.; Younes, Sabry H. H.","2-[(Phenylcarbamoyl)amino]butyl N-phenylcarbamate","Acta Crystallographica Section E","2012","68","10","o2905","","10.1107/S1600536812038081","","","1.54184","CuKα","","0.0661","0.0517","","","0.1337","0.1545","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236319","9.038","0.0009","20.1878","0.0016","16.148","0.0016","90","","98.659","0.008","90","","2912.7","0.5","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl- κ^3^P,C^1^,P'}(1H-pyrazole- κN^2^)nickel(II) hexafluorophosphate","","- C21 H34 F7 N2 Ni O2 P3 -","- C21 H34 F7 N2 Ni O2 P3 -","- C84 H136 F28 N8 Ni4 O8 P12 -","4","1","HG5249","Kwan, Man-Lung; Conry, Sara J.; Carfagna, Charles S.; Press, Loren P.; Ozerov, Oleg V.; Hoffman, Norris W.; Sykora, Richard E.","{2,6-Bis[(2,6-diisopropylphosphanyl)oxy]-4-fluorophenyl-κ^3^P,C^1^,P'}(1H-pyrazole-κN^2^)nickel(II) hexafluorophosphate","Acta Crystallographica Section E","2012","68","10","m1282","m1283","10.1107/S1600536812039207","","","0.71073","MoKα","","0.0793","0.0368","","","0.087","0.1003","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236320","5.9875","0.0005","7.4025","0.0007","20.2778","0.0018","90","","93.747","0.001","90","","896.84","0.14","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2'-Acetonaphthone","1-(Naphthalen-2-yl)ethanone","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","HG5250","Shotonwa, Ibukun O.; Boeré, René T.","2'-Acetonaphthone","Acta Crystallographica Section E","2012","68","11","o3112","","10.1107/S1600536812039554","","","0.71073","MoKα","","0.0445","0.04","","","0.1135","0.1178","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236321","8.5039","0.0006","9.537","0.0006","10.7859","0.0007","102.18","0.003","102.621","0.003","110.671","0.003","757.86","0.09","446","2","446","2","","","","","","","","3","P -1","-P 1","2","","1-(5-Hydroxy-2,2,8,8-tetramethyl-2H,8H-pyrano[2,3-f] chromen-6-yl)ethanone","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","HG5251","Pawar, Sunayna; Cheddie, Adele; Omondi, Bernard; Koorbanally, Neil Anthony","1-(5-Hydroxy-2,2,8,8-tetramethyl-2H,8H-pyrano[2,3-f]chromen-6-yl)ethanone","Acta Crystallographica Section E","2012","68","10","o3048","","10.1107/S160053681204055X","","","0.71073","MoKα","","0.0452","0.0391","","","0.1128","0.1193","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236322","3.9224","0.0003","11.5175","0.001","28.957","0.003","90","","92.27","0.002","90","","1307.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,4-Dichlorobenzylidene)chroman-4-one","","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","- C64 H40 Cl8 O8 -","4","1","HG5252","Gopaul, Kaalin; Koorbanally, Neil Anthony; Shaikh, Mahidansha M.; Su, Hong; Ramjugernath, Deresh","3-(3,4-Dichlorobenzylidene)chroman-4-one","Acta Crystallographica Section E","2012","68","11","o3062","","10.1107/S1600536812040561","","","0.71073","MoKα","","0.0479","0.0341","","","0.0823","0.0885","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236323","12.1599","0.0007","9.6153","0.0004","16.2345","0.0008","90","","90","","90","","1898.16","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1H-Indol-3-yl)acetohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C80 H88 N24 O8 -","8","1","HG5253","Sidra, Lala Rukh; Khan, Islam Ullah; Yar, Muhammad; Simpson, Jim","2-(1H-Indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3140","o3141","10.1107/S1600536812041694","","","0.71073","MoKα","","0.0999","0.0457","","","0.1013","0.1219","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236324","15.68","0.007","15.68","0.007","33.848","0.006","90","","90","","120","","7207","5","298","2","298","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","","- C2 H6 Ba Cl2 O S -","- C2 H6 Ba Cl2 O S -","- C72 H216 Ba36 Cl72 O36 S36 -","36","1","HG5254","Gschwind, Fabienne; Jansen, Martin","Bis(chlorido)(dimethylsulfoxide-κO)barium(II)","Acta Crystallographica Section E","2012","68","11","m1319","","10.1107/S160053681204069X","","","0.71073","MoKα","","0.0235","0.0229","","","0.0568","0.0572","","","","","","1.248","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236325","8.1986","0.0005","11.8211","0.0006","19.6686","0.0007","90","","93.638","0.004","90","","1902.37","0.17","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3-dihydropyrazine","2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine","","- C24 H22 N2 -","- C24 H22 N2 -","- C96 H88 N8 -","4","1","HG5255","Thiruvalluvar, A.; Anuradha, N.; Chitra, S.; Devanathan, D.; Butcher, R. J.","2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine","Acta Crystallographica Section E","2012","68","11","o3084","","10.1107/S1600536812041438","","","1.54184","CuKα","","0.0832","0.0688","","","0.1979","0.2142","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236326","5.2801","0.0002","11.683","0.0005","14.4803","0.0007","83.303","0.002","80.775","0.002","79.031","0.001","862.17","0.06","295","","295","","","","","","","","","3","P -1","-P 1","2","","3,5-Bis(benzyloxy)benzoic acid","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","HG5257","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","3,5-Bis(benzyloxy)benzoic acid","Acta Crystallographica Section E","2012","68","11","o3247","o3248","10.1107/S1600536812043796","","","0.71073","MoKα","","0.1013","0.0531","","","0.1633","0.1633","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236327","15.2869","0.0005","7.2881","0.0003","15.3608","0.0006","90","","97.599","0.002","90","","1696.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H22 O2 S -","- C20.994 H22 O2 S -","- C83.976 H88 O8 S4 -","4","1","HG5259","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3124","","10.1107/S1600536812042249","","","0.71073","MoKα","","0.0791","0.0586","","","0.1554","0.1732","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236328","10.3516","0.0002","12.4352","0.0003","15.4101","0.0003","90","","112.798","0.001","90","","1828.68","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydropyridin-3-yl]ethanone monohydrate","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","HG5260","Islor, Arun M.; Malladi, Shridhar; Sundershan, S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1,4-dihydropyridin-3-yl]ethanone monohydrate","Acta Crystallographica Section E","2012","68","11","o3156","o3157","10.1107/S1600536812042614","","","0.71073","MoKα","","0.0479","0.0398","","","0.1074","0.1138","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236329","5.4599","0.0012","10.374","0.002","13.617","0.003","93.912","0.004","99.409","0.004","97.651","0.004","750.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato- κO]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^N:N']","","- C32 H30 Co N2 O10 -","- C32 H30 Co N2 O10 -","- C32 H30 Co N2 O10 -","1","0.5","HG5263","Sun, Changyan; Li, Yang; Li, Wenjun; Dong, Bin","catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-κO]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^N:N']","Acta Crystallographica Section E","2012","68","11","m1433","","10.1107/S1600536812044339","","","0.71073","MoKα","","0.085","0.0549","","","0.1169","0.1329","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236330","17.2841","0.0002","12.2151","0.0002","21.7618","0.0003","90","","94.449","0.001","90","","4580.66","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Naphthalene-2,3-diolato-κ^2^O,O')[tris(pyridin-2- ylmethyl)amine-κ^4^N]cobalt(III) tetraphenylborate acetone monosolvate hemihydrate","","- C55 H51 B Co N4 O3.5 -","- C55 H51 B Co N4 O3.5 -","- C220 H204 B4 Co4 N16 O14 -","4","1","HP2037","Yu, Fan","(Naphthalene-2,3-diolato-κ^2^O,O')[tris(pyridin-2-ylmethyl)amine-κ^4^N]cobalt(III) tetraphenylborate acetone monosolvate hemihydrate","Acta Crystallographica Section E","2012","68","10","m1248","","10.1107/S1600536812035210","","","0.71073","MoKα","","0.0659","0.0441","","","0.1036","0.109","","","","","","1.067","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236331","8.5739","0.0008","10.3371","0.001","12.661","0.0012","68.955","0.002","80.033","0.002","70.619","0.002","986.09","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κN)phenyl- κC^1^]platinum(IV) acetonitrile monosolvate","","- C17 H14 Cl3 N5 O Pt -","- C17 H14 Cl3 N5 O Pt -","- C34 H28 Cl6 N10 O2 Pt2 -","2","1","HP2041","Wu, Yang; Xie, Dahai; Zhang, Dengqing; Li, Xianying; Jin, Wusong","Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κN)phenyl-κC^1^]platinum(IV) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","9","m1210","m1211","10.1107/S1600536812036410","","","0.71073","MoKα","","0.0353","0.0333","","","0.0838","0.0851","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236332","12.152","0.0002","12.2726","0.0002","18.7306","0.0003","90","","112.956","0.001","90","","2572.19","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triethylammoniumpentaacetatodicuprate(II)-THF-monosolvate","catena-Poly[triethylammonium [[tetra-μ-acetato-κ^8^O:O'-dicuprate(II)]- μ-acetato-κ^2^O:O'] tetrahydrofuran monosolvate]","","- C20 H39 Cu2 N O11 -","- C20 H39 Cu2 N O11 -","- C80 H156 Cu8 N4 O44 -","4","1","HP2044","Bugenhagen, Bernhard E. C.; Prosenc, Marc H.","catena-Poly[triethylammonium [[tetra-μ-acetato-κ^8^O:O'-dicuprate(II)]-μ-acetato-κ^2^O:O'] tetrahydrofuran monosolvate]","Acta Crystallographica Section E","2012","68","9","m1142","","10.1107/S1600536812033405","","","0.71073","MoKα","","0.0305","0.0231","","","0.0549","0.0617","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236333","8.16","0.0009","12.194","0.0013","14.9713","0.0016","100.109","0.005","93.56","0.005","93.469","0.005","1459.9","0.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","rac-cis-Dicarbonylchlorido{1-[2-(diphenylphosphanyl- κP)benzyl]-3-(phenyl-κC^1^)imidazol-2-ylidene- κC^2^}ruthenium(II) dichloromethane monosolvate","","- C31 H24 Cl3 N2 O2 P Ru -","- C31 H24 Cl3 N2 O2 P Ru -","- C62 H48 Cl6 N4 O4 P2 Ru2 -","2","1","HP2045","Domski, Gregory J.; Pecak, Wiktoria H.; Swenson, Dale C.","rac-cis-Dicarbonylchlorido{1-[2-(diphenylphosphanyl-κP)benzyl]-3-(phenyl-κC^1^)imidazol-2-ylidene-κC^2^}ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","9","m1224","m1225","10.1107/S1600536812036665","","","0.71073","MoKα","","0.0559","0.0356","","","0.0692","0.0768","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236334","8.767","0.002","12.426","0.003","13.159","0.005","90","","108.26","0.03","90","","1361.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]","","- C6 H6 Cu K2 N4 O9 -","- C6 H6 Cu K2 N4 O9 -","- C24 H24 Cu4 K8 N16 O36 -","4","1","HP2047","Golenya, Irina A.; Izotova, Yulia A.; Usenko, Natalia I.; Kalibabchuk, Valentina A.; Kotova, Natalia V.","Poly[μ-aqua-diaquabis[μ-2-cyano-2-(oxidoimino)acetato]copper(II)dipotassium]","Acta Crystallographica Section E","2012","68","10","m1303","m1304","10.1107/S1600536812036641","","","0.71073","MoKα","","0.0261","0.0241","","","0.0614","0.0624","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236335","8.0583","0.0015","8.4824","0.0015","12.934","0.002","93.225","0.002","94.812","0.002","104.64","0.002","849.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[disilver(I)(Ag‒Ag)-bis(μ~3~-quinoline-3- carboxylato)-1:2:1'κ^3^O:O':N;2:1'': 2''κ^3^N:O:O']","","- C20 H12 Ag2 N2 O4 -","- C20 H12 Ag2 N2 O4 -","- C40 H24 Ag4 N4 O8 -","2","1","HY2558","Liu, Chun-Bo; Cong, Yao; Sun, He-Yi","catena-Poly[disilver(I)(Ag‒Ag)-bis(μ~3~-quinoline-3-carboxylato)-1:2:1'κ^3^O:O':N;2:1'':2''κ^3^N:O:O']","Acta Crystallographica Section E","2012","68","9","m1177","","10.1107/S1600536812035209","","","0.71073","MoKα","","0.0443","0.0298","","","0.0727","0.0806","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236336","7.7786","0.0016","8.0562","0.0017","9.505","0.002","110.912","0.003","96.862","0.003","95.77","0.003","545.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquabis(μ-oxalato- κ^4^O^1^,O^2^:O^1'^,O^2'^)bis(μ~3~-5- oxidopyridin-1-ium-3-carboxylato- κ^3^O^3^:O^3'^:O^5^)diholmium(III)] dihydrate]","","- C16 H16 Ho2 N2 O18 -","- C16 H16 Ho2 N2 O18 -","- C16 H16 Ho2 N2 O18 -","1","0.5","HY2567","Mi, Jun-Long; Huang, Jing; Chen, Hong-Ji","Poly[[diaquabis(μ-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^)bis(μ~3~-5-oxidopyridin-1-ium-3-carboxylato-κ^3^O^3^:O^3'^:O^5^)diholmium(III)] dihydrate]","Acta Crystallographica Section E","2012","68","9","m1146","m1147","10.1107/S1600536812032916","","","0.71073","MoKα","","0.0176","0.0158","","","0.037","0.0379","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236337","13.7489","0.0006","13.0185","0.0005","15.4765","0.0007","90","","115.759","0.006","90","","2494.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Acetato-κO){bis[(2,4-dimethyl-1H- pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate","","- C20 H27 Co F6 N6 O2 P -","- C20 H27 Co F6 N6 O2 P -","- C80 H108 Co4 F24 N24 O8 P4 -","4","1","HY2569","Yu, Fan","(Acetato-κO){bis[(2,4-dimethyl-1H-pyrazol-1-yl)methyl][(pyridin-2-yl)methyl]amine}cobalt(II) hexafluoridophosphate","Acta Crystallographica Section E","2012","68","10","m1249","","10.1107/S1600536812035222","","","0.71073","MoKα","","0.0882","0.0508","","","0.1198","0.1292","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236338","7.567","0.003","8.874","0.004","10.867","0.005","92.046","0.004","103.327","0.009","104.957","0.005","682.5","0.5","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","Bis(methanol-κO)bis(oxamide oxime oximato-κ^2^N,N')copper(II) bis(oxamide dioxime) methanol disolvate","","- C12 H38 Cu N16 O12 -","- C12 H38 Cu N16 O12 -","- C12 H38 Cu N16 O12 -","1","0.5","HY2572","Liu, Daying; Zhang, Ruihong; Hu, Hui; Qi, Jing; Yang, Guangming","Bis(methanol-κO)bis(1,2-diamino-2-hydroxyiminoethanone oximato-κ^2^N,N')copper(II) bis(oxamide dioxime) methanol disolvate","Acta Crystallographica Section E","2012","68","10","m1235","m1236","10.1107/S1600536812036811","","","0.71073","MoKα","","0.0446","0.0331","","","0.0838","0.0856","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236339","22.7473","0.0016","11.4521","0.0019","24.1382","0.0015","90","","116.014","0.007","90","","5651","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis[μ-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene- κ^2^N:N']trisilver(I) tris(hexafluoridophosphate)","","- C48 H48 Ag3 F18 N8 O8 P3 -","- C48 H48 Ag3 F18 N8 O8 P3 -","- C192 H192 Ag12 F72 N32 O32 P12 -","4","0.5","HY2575","Yeh, Chun-Wei; Ho, Yuh-Wen; Lee, Hsun-Tsing; Wang, Ju-Chun; Suen, Maw-Cherng","Tetrakis[μ-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^N:N']trisilver(I) tris(hexafluoridophosphate)","Acta Crystallographica Section E","2012","68","9","m1170","","10.1107/S1600536812034721","","","0.71073","MoKα","","0.0668","0.0503","","","0.125","0.1366","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236340","7.7606","0.0011","10.3832","0.0017","18.184","0.002","90","","97.46","0.011","90","","1452.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","1","HY2576","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium","Acta Crystallographica Section E","2012","68","9","m1143","","10.1107/S1600536812033648","","","0.71073","MoKα","","0.0784","0.0467","","","0.0996","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236341","6.7876","0.0007","14.286","0.0014","7.8893","0.0008","90","","113.562","0.002","90","","701.23","0.12","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tetrabromido(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(IV)","","- C10 H9 Br4 N3 Pt -","- C10 H9 Br4 N3 Pt -","- C20 H18 Br8 N6 Pt2 -","2","0.5","HY2577","Ha, Kwang","Tetrabromido(di-2-pyridylamine-κ^2^N^2^,N^2'^)platinum(IV)","Acta Crystallographica Section E","2012","68","9","m1141","","10.1107/S160053681203379X","","","0.71073","MoKα","","0.0388","0.0281","","","0.0679","0.0747","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236342","12.0318","0.0006","10.3751","0.0004","15.2626","0.0007","90","","91.981","0.004","90","","1904.11","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trichlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')(methanol- κO)indium(III) methanol monosolvate","","- C14 H20 Cl3 In N2 O2 -","- C14 H20 Cl3 In N2 O2 -","- C56 H80 Cl12 In4 N8 O8 -","4","1","HY2578","Shirvan, Sadif A.; Haydari Dezfuli, Sara","Trichlorido(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')(methanol-κO)indium(III) methanol monosolvate","Acta Crystallographica Section E","2012","68","9","m1189","m1190","10.1107/S1600536812035490","","","0.71073","MoKα","","0.0475","0.0395","","","0.0987","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236343","7.1216","0.0018","11.78","0.003","13.536","0.003","90","","90","","90","","1135.6","0.5","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1H-imidazole-4-carboxylato- κ^2^N^3^,O)cobalt(II)","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C32 H40 Co4 N16 O24 -","4","0.5","HY2579","Chen, Wen-Sen","Diaquabis(1H-imidazole-4-carboxylato-κ^2^N^3^,O)cobalt(II)","Acta Crystallographica Section E","2012","68","10","m1246","","10.1107/S1600536812037579","","","0.71073","MoKα","","0.0331","0.0266","","","0.0702","0.0731","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236344","11.391","0.0011","13.0561","0.0013","19.8509","0.0018","90","","103.487","0.001","90","","2870.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')zinc]- μ-4,4'-bipyridine-κ^2^N:N'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]","","- C27 H26 N7 O9 Zn -","- C27 H26 N7 O9 Zn -","- C108 H104 N28 O36 Zn4 -","4","1","HY2580","Xu, Shan; Dai, Yong-Cheng; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","catena-Poly[[[diaqua(1,10-phenanthroline-κ^2^N,N')zinc]-μ-4,4'-bipyridine-κ^2^N:N'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]","Acta Crystallographica Section E","2012","68","9","m1222","m1223","10.1107/S1600536812036318","","","0.71073","MoKα","","0.0864","0.0475","","","0.1075","0.1318","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236345","12.702","0.008","7.178","0.004","25.368","0.015","90","","90","","90","","2313","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","HY2581","Tian, Yu-Guang","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","Acta Crystallographica Section E","2012","68","10","m1276","","10.1107/S1600536812038901","","","0.71073","MoKα","","0.066","0.0364","","","0.0719","0.0856","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236346","14.1988","0.0004","14.7317","0.0006","16.6016","0.0008","113.286","0.002","107.128","0.003","90.19","0.003","3019.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris(2,2'-bipyridine-κ^2^N,N')cobalt(III) bis[bis(pyridine-2,6-dicarboxylato- κ^3^O^2^,N,O^6^)cobaltate(III)] perchlorate dimethylformamide hemisolvate 1.3-hydrate","","- C59.5 H42.1 Cl Co3 N10.5 O21.8 -","- C59.5 H42.1 Cl Co3 N10.5 O21.8 -","- C119 H84.2 Cl2 Co6 N21 O43.6 -","2","1","HY2582","Golenya, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Iskenderov, Turganbay S.","Tris(2,2'-bipyridine-κ^2^N,N')cobalt(III) bis[bis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)cobaltate(III)] perchlorate dimethylformamide hemisolvate 1.3-hydrate","Acta Crystallographica Section E","2012","68","10","m1237","m1238","10.1107/S1600536812037208","","","0.71073","MoKα","","0.0927","0.0596","","","0.1605","0.181","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236347","10.3119","0.0002","11.4395","0.0002","12.2432","0.0003","84.756","0.001","77.395","0.001","70.29","0.001","1326.61","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(2-Ethyl-2-oxazoline-κN)bis(N-ethyl-N- phenyldithiocarbamato-κ^2^S,S')cadmium","","- C23 H29 Cd N3 O S4 -","- C23 H29 Cd N3 O S4 -","- C46 H58 Cd2 N6 O2 S8 -","2","1","HY2583","Onwudiwe, Damian C.; Strydom, Christien A.; Hosten, Eric C.","(2-Ethyl-2-oxazoline-κN)bis(N-ethyl-N-phenyldithiocarbamato-κ^2^S,S')cadmium","Acta Crystallographica Section E","2012","68","10","m1309","","10.1107/S1600536812038433","","","0.71073","MoKα","","0.027","0.0217","","","0.0512","0.0542","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236348","29.283","0.002","7.7642","0.0007","15.9459","0.0012","90","","104.891","0.006","90","","3503.7","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Trichlorido(dimethyl sulfoxide-κO)(di-2-pyridylamine-κ^2^N,N')indium(III)","","- C12 H15 Cl3 In N3 O S -","- C12 H15 Cl3 In N3 O S -","- C96 H120 Cl24 In8 N24 O8 S8 -","8","1","HY2584","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas","Trichlorido(dimethyl sulfoxide-κO)(di-2-pyridylamine-κ^2^N,N')indium(III)","Acta Crystallographica Section E","2012","68","10","m1256","","10.1107/S1600536812038147","","","0.71073","MoKα","","0.0737","0.0422","","","0.0737","0.0804","","","","","","0.987","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236349","7.7989","0.0016","26.525","0.005","15.098","0.003","90","","98.26","0.03","90","","3090.9","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-chlorido-bis{chlorido[2,3-dimethyl-N-(pyridin-2- ylmethylidene)aniline-κ^2^N,N']mercury(II)}","","- C28 H28 Cl4 Hg2 N4 -","- C28 H28 Cl4 Hg2 N4 -","- C112 H112 Cl16 Hg8 N16 -","4","0.5","HY2585","Hoseyni, Seyed Jalal; Talei Bavil Olyai, Mohamad Reza; Notash, Behrouz","Di-μ-chlorido-bis{chlorido[2,3-dimethyl-N-(pyridin-2-ylmethylidene)aniline-κ^2^N,N']mercury(II)}","Acta Crystallographica Section E","2012","68","10","m1294","","10.1107/S1600536812039050","","","0.71073","MoKα","","0.1011","0.0834","","","0.1929","0.2062","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236350","15.6081","0.0011","10.5938","0.0008","25.976","0.002","90","","96.919","0.001","90","","4263.8","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Iodido[5-methyl-1H-benzimidazole-2(3H)-thione- κS]bis(triphenylphosphane-κP)copper(I) methanol monosolvate","","- C45 H42 Cu I N2 O P2 S -","- C45 H42 Cu I N2 O P2 S -","- C180 H168 Cu4 I4 N8 O4 P8 S4 -","4","1","HY2586","Jiang, Yu-Han; Qiu, Qi-Ming; Jiang, Rui-Xia; Huang, Xu; Jin, Qiong-Hua","Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol monosolvate","Acta Crystallographica Section E","2012","68","10","m1295","","10.1107/S1600536812039165","","","0.71073","MoKα","","0.0666","0.0393","","","0.074","0.0875","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236351","22.272","0.0012","7.1013","0.0004","19.6329","0.0011","90","","108.376","0.001","90","","2946.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec- 13-ene-4,10-diido-κ^2^N:N')bis[(2,2'-bipyridine- κ^2^N,N')silver(I)] dihydrate","","- C32 H28 Ag2 N6 O6 -","- C32 H28 Ag2 N6 O6 -","- C128 H112 Ag8 N24 O24 -","4","0.5","HY2587","Zhang, Yongmei","(μ-3,5,9,11-Tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido-κ^2^N:N')bis[(2,2'-bipyridine-κ^2^N,N')silver(I)] dihydrate","Acta Crystallographica Section E","2012","68","10","m1275","","10.1107/S1600536812038640","","","0.71073","MoKα","","0.0262","0.0211","","","0.0488","0.0512","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236352","9.6955","0.0011","10.9905","0.0012","14.5739","0.0017","68.711","0.002","72.401","0.002","81.381","0.002","1377.9","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","cis-Chloridobis(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')oxidovanadium(IV) chloride ethanol monosolvate monohydrate","","- C26 H32 Cl2 N4 O3 V -","- C26 H32 Cl2 N4 O3 V -","- C52 H64 Cl4 N8 O6 V2 -","2","1","HY2588","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin","cis-Chloridobis(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')oxidovanadium(IV) chloride ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","10","m1311","m1312","10.1107/S1600536812040251","","","0.71073","MoKα","","0.0741","0.0622","","","0.1362","0.1442","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236353","7.3883","0.001","9.1788","0.0013","9.8054","0.0013","81.312","0.002","82.2","0.002","79.301","0.002","641.92","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua(μ-4,4'-bipyridine N,N'-dioxide-κ^2^O:O')(μ-terephthalato- κ^2^O^1^:O^4^)cobalt(II)] 4,4'-bipyridine N,N'-dioxide monosolvate]","","- C28 H24 Co N4 O10 -","- C28 H24 Co N4 O10 -","- C28 H24 Co N4 O10 -","1","0.5","HY2589","Ge, Xin; Song, Shu-Yan","Poly[[diaqua(μ-4,4'-bipyridine N,N'-dioxide-κ^2^O:O')(μ-terephthalato-κ^2^O^1^:O^4^)cobalt(II)] 4,4'-bipyridine N,N'-dioxide monosolvate]","Acta Crystallographica Section E","2012","68","10","m1307","","10.1107/S1600536812040056","","","0.71073","MoKα","","0.0332","0.0308","","","0.0791","0.0809","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236354","7.4395","0.0006","9.4723","0.0008","17.6439","0.0015","90","","96.131","0.007","90","","1236.24","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(6-methyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","","- C11 H10 Cl2 Co N2 -","- C11 H10 Cl2 Co N2 -","- C44 H40 Cl8 Co4 N8 -","4","1","HY2591","Akbarzadeh Torbati, Niloufar; Rezvani, Ali Reza; Saravani, Hamideh","Dichlorido(6-methyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1332","","10.1107/S1600536812041116","","","0.71073","MoKα","","0.0838","0.058","","","0.1201","0.1312","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236355","5.6014","0.0008","26.246","0.004","11.0763","0.0016","90","","99.828","0.002","90","","1604.5","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-Dichloridobis(4-nitroaniline-κN^1^)palladium(II)","","- C12 H12 Cl2 N4 O4 Pd -","- C12 H12 Cl2 N4 O4 Pd -","- C48 H48 Cl8 N16 O16 Pd4 -","4","1","HY2592","Feng, Tian-Jun","trans-Dichloridobis(4-nitroaniline-κN^1^)palladium(II)","Acta Crystallographica Section E","2012","68","11","m1351","","10.1107/S1600536812042134","","","0.71073","MoKα","","0.0228","0.021","","","0.0629","0.0772","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236356","12.4813","0.0004","12.5337","0.0004","14.5389","0.0005","83.52","0.001","65.602","0.001","61.757","0.001","1815.02","0.11","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","(Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κN^2^)borato]\ (triphenylphosphine-κP)ruthenium(II) chloride dichloromethane disolvate","","- C30 H32 B Cl5 N7 O P Ru -","- C30 H32 B Cl5 N7 O P Ru -","- C60 H64 B2 Cl10 N14 O2 P2 Ru2 -","2","1","HY2593","Hu, Ting-Chuan; Ye, Jun-Xlan; He, Sheng-Ting; Chiang, Guan-Ru; Lo, Yih-Hsing","(Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κN^2^)borato](triphenylphosphine-κP)ruthenium(II) chloride dichloromethane disolvate","Acta Crystallographica Section E","2012","68","11","m1361","m1362","10.1107/S160053681204247X","","","0.71073","MoKα","","0.0536","0.045","","","0.1128","0.1185","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236357","9.2887","0.0006","12.3253","0.0007","12.6596","0.0007","90","","103.738","0.001","90","","1407.88","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylbis(pyrazine-2-carboxylato-κ^2^N^1^,O)tin(IV)","","- C12 H12 N4 O4 Sn -","- C12 H12 N4 O4 Sn -","- C48 H48 N16 O16 Sn4 -","4","1","HY2594","Vafaee, Marzieh; Najafi, Ezzatollah; M. Amini, Mostafa; Ng, Seik Weng","Dimethylbis(pyrazine-2-carboxylato-κ^2^N^1^,O)tin(IV)","Acta Crystallographica Section E","2012","68","11","m1384","","10.1107/S160053681204295X","","","0.71073","MoKα","","0.0233","0.02","","","0.0491","0.0514","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236358","7.638","0.0005","12.7943","0.0006","17.9545","0.0011","90","","101.128","0.005","90","","1721.58","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')cobalt(II) acetonitrile monosolvate","","- C16 H15 Br2 Co N3 -","- C16 H15 Br2 Co N3 -","- C64 H60 Br8 Co4 N12 -","4","1","HY2596","Shirvan, Sadif A.; Aghajeri, Manouchehr; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')cobalt(II) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","m1407","","10.1107/S160053681204367X","","","0.71073","MoKα","","0.1072","0.0746","","","0.177","0.1944","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236359","7.4744","0.0005","17.7122","0.0013","21.4993","0.0015","90","","95.075","0.001","90","","2835.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato- κ^2^O:N^4'^}zinc] dimethylformamide tetrasolvate]","","- C60 H62 N8 O14 Zn -","- C60 H62 N8 O14 Zn -","- C120 H124 N16 O28 Zn2 -","2","0.5","HY2597","Ge, Xin; Song, Shuyan","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^O:N^4'^}zinc] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2012","68","11","m1413","","10.1107/S1600536812043838","","","0.71073","MoKα","","0.0825","0.0525","","","0.1372","0.1575","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236360","7.8839","0.0012","8.2265","0.0014","9.9957","0.0017","114.093","0.002","104.033","0.015","92.201","0.013","567.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Allyl-1-methyl-1H-benzotriazol-3-ium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C20 H24 I2 N6 -","2","1","IM2367","Buttrus, Nabeel H.; Sabah, Assim A.; Taqa, Amer A.; Englert, Ulli","3-Allyl-1-methyl-1H-benzotriazol-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2735","","10.1107/S1600536812035611","","","0.71073","MoKα","","0.0399","0.0349","","","0.0641","0.0661","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236361","11.194","0.003","5.899","0.0005","15.034","0.005","90","","130.193","0.018","90","","758.3","0.4","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-1,3,4-oxadiazol-2-amine","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","IM2386","Song, Man-Man; Wu, Kong-Li; Zhu, Lin; Zheng, Juan; Xu, Yan","5-Phenyl-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2012","68","10","o3058","","10.1107/S1600536812040640","","","0.7107","MoKα","","0.1158","0.0556","","","0.1098","0.1369","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236362","5.9816","0.0008","23.8962","0.0019","7.4653","0.0008","90","","111.119","0.007","90","","995.4","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methylamino-3-phenylpropan-1-ol","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","IM2389","Frey, Wolfgang; Ibrahim, Mohammad M.; Ali, Basem F.; Jäger, Volker","3-Methylamino-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","10","o2857","","10.1107/S160053681203694X","","","1.54178","CuKα","","0.1266","0.0714","","","0.1448","0.2005","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236363","8.4751","0.0008","9.8055","0.0012","10.613","0.0006","72.837","0.006","83.45","0.006","69.216","0.006","787.81","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-N-(tert-butyldimethylsilyl)-N-(pyridin-2- ylmethyl)amido]bis[methylcobalt(II)]","","- C26 H48 Co2 N4 Si2 -","- C26 H48 Co2 N4 Si2 -","- C26 H48 Co2 N4 Si2 -","1","0.5","IM2393","Malassa, Astrid; Agthe, Christine; Görls, Helmar; Westerhausen, Matthias","Bis[μ-N-(tert-butyldimethylsilyl)-N-(pyridin-2-ylmethyl)amido]bis[methylcobalt(II)]","Acta Crystallographica Section E","2012","68","9","m1167","m1168","10.1107/S1600536812032321","","","0.71073","MoKα","","0.1821","0.0612","","","0.0973","0.1287","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236364","11.548","0.0005","9.9394","0.0004","14.8911","0.0006","90","","107.611","0.001","90","","1629.1","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Iodo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 I O3 S -","- C17 H15 I O3 S -","- C68 H60 I4 O12 S4 -","4","1","IM2395","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2893","","10.1107/S1600536812037932","","","0.71073","MoKα","","0.0309","0.0268","","","0.0674","0.0695","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236365","3.811","0.005","13.219","0.005","13.167","0.005","90","","95.602","0.005","90","","660.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Acetyl-1H-pyrrole-2-carbaldehyde","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","IM2396","Sun, Tao; Xie, Jia-Wei; Zhao, Ren-Ying; Zhu, Ai-Guo; Ge, Yan-Qing","4-Acetyl-1H-pyrrole-2-carbaldehyde","Acta Crystallographica Section E","2012","68","10","o2947","","10.1107/S1600536812039153","","","0.71069","MoKα","","0.0558","0.0423","","","0.1184","0.1283","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236366","11.7479","0.0004","19.3706","0.0006","11.5958","0.0004","90","","118.365","0.001","90","","2321.97","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]bis(3- hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C24 H29 Br O6 -","- C24 H29 Br O6 -","- C96 H116 Br4 O24 -","4","1","IM2397","Sughanya, V.; Sureshbabu, N.","2,2'-[(3-Bromo-4-hydroxy-5-methoxyphenyl)methylidene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","10","o2875","o2876","10.1107/S1600536812037853","","","0.71073","MoKα","","0.0509","0.0346","","","0.0869","0.0949","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236367","8.3285","0.0003","15.1807","0.0005","12.2471","0.0004","90","","90.25","0.002","90","","1548.42","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(3-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","IM2399","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Fluorophenylsulfinyl)-5-iodo-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2894","","10.1107/S1600536812037944","","","0.71073","MoKα","","0.0298","0.0258","","","0.0631","0.0649","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236368","11.1588","0.0006","9.3902","0.0005","9.3833","0.0005","90","","113.092","0.006","90","","904.43","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-MeNH3pyrH).2Br","3-(Ammoniomethyl)pyridinium dibromide","","- C6 H10 Br2 N2 -","- C6 H10 Br2 N2 -","- C24 H40 Br8 N8 -","4","1","IM2401","Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.","3-(Ammoniomethyl)pyridinium dibromide","Acta Crystallographica Section E","2012","68","11","o3066","","10.1107/S1600536812040937","","","0.71073","MoKα","","0.0528","0.0358","","","0.0638","0.0701","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236369","38.3223","0.0014","4.8318","0.0002","21.9831","0.0008","90","","117.843","0.002","90","","3599.3","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Dodecyl-1H-benzo[d]imidazol-2(3H)-one","","- C19 H30 N2 O -","- C19 H30 N2 O -","- C152 H240 N16 O8 -","8","1","IM2402","Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Dodecyl-1H-benzo[d]imidazol-2(3H)-one","Acta Crystallographica Section E","2012","68","11","o3069","","10.1107/S1600536812041189","","","0.71073","MoKα","","0.0717","0.045","","","0.1215","0.1407","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236370","7.9321","0.0003","17.0477","0.0009","12.2151","0.0006","90","","98.583","0.002","90","","1633.28","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[Bis(dimethylamino)methylene]-1,1-diphenylurea","","- C18 H22 N4 O -","- C18 H22 N4 O -","- C72 H88 N16 O4 -","4","1","IM2403","Tiritiris, Ioannis","3-[Bis(dimethylamino)methylene]-1,1-diphenylurea","Acta Crystallographica Section E","2012","68","11","o3085","","10.1107/S160053681204127X","","","0.71073","MoKα","","0.0487","0.0388","","","0.0984","0.1048","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236371","9.5921","0.0007","10.7253","0.0009","11.6286","0.001","66.87","0.009","68.011","0.009","76.359","0.009","1014.59","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Trans-bis(3-tert-butylpyridine-κN)bis(4-tert-\ butylpyridine-κN)bis(thiocyanato-κN)manganese(II)","","- C38 H52 Mn N6 S2 -","- C38 H52 Mn N6 S2 -","- C38 H52 Mn N6 S2 -","1","0.5","IM2404","Reinert, Thorben; Jess, Inke; Näther, Christian","Trans-bis(3-tert-butylpyridine-κN)bis(4-tert-butylpyridine-κN)bis(thiocyanato-κN)manganese(II)","Acta Crystallographica Section E","2012","68","11","m1333","","10.1107/S1600536812041128","","","0.71073","MoKα","","0.0675","0.0485","","","0.1194","0.1281","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236372","14.027","0.003","5.816","0.001","12.829","0.003","90","","91.409","0.008","90","","1046.3","0.4","100","0.5","100","0.5","101.3","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","IM2405","Alexander, Catherine Thomas; Vargas, David; Fronczek, Frank R.; Watkins, Steven F.","1-(2-Hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one","Acta Crystallographica Section E","2012","68","11","o3126","","10.1107/S1600536812042158","","","0.71073","MoKα","","","0.0428","","","","0.1267","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236373","14.813","0.0005","9.5617","0.0004","8.6697","0.0003","90","","103.071","0.001","90","","1196.14","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-hydroxyethanaminium 2-methyl-5-nitrobenzenesulfonate","","- C9 H14 N2 O6 S -","- C9 H14 N2 O6 S -","- C36 H56 N8 O24 S4 -","4","1","IS5129","Hu, Peng Fei; Zheng, Ying; Wang, Wen Xi","2-Hydroxyethanaminium 2-methyl-5-nitrobenzenesulfonate","Acta Crystallographica Section E","2012","68","9","o2806","","10.1107/S160053681203382X","","","0.71073","MoKα","","0.0377","0.0364","","","0.0937","0.0947","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236374","12.1801","0.0006","9.2529","0.0004","17.6769","0.0008","90","","101.979","0.001","90","","1948.83","0.16","100","1","100","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","N-[(4-Chlorophenyl)sulfonyl]acetamide","","- C8 H8 Cl N O3 S -","- C8 H8 Cl N O3 S -","- C64 H64 Cl8 N8 O24 S8 -","8","2","IS5173","Fun, Hoong-Kun; Chia, Tze Shyang; Jyothi, K.; Hegde, Poornima; D'Souza, Pramila Rita","N-[(4-Chlorophenyl)sulfonyl]acetamide","Acta Crystallographica Section E","2012","68","9","o2626","","10.1107/S1600536812033764","","","0.71073","MoKα","","0.0415","0.028","","","0.0797","0.09","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236375","20.5345","0.0005","5.2689","0.0001","16.1929","0.0005","90","","104.443","0.002","90","","1696.61","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Bromophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole","","- C21 H16 Br F N2 -","- C21 H16 Br F N2 -","- C84 H64 Br4 F4 N8 -","4","1","IS5174","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","5-(4-Bromophenyl)-3-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole","Acta Crystallographica Section E","2012","68","9","o2680","","10.1107/S160053681203454X","","","0.71073","MoKα","","0.0774","0.0514","","","0.1034","0.1134","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236376","10.531","0.0007","11.1477","0.0007","17.2187","0.0009","90","","124.562","0.003","90","","1664.66","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-Ethenylphenyl)diphenylphosphine selenide","","- C20 H17 P Se -","- C20 H17 P Se -","- C80 H68 P4 Se4 -","4","1","IS5175","Phasha, Zanele H.; Makhoba, Sizwe; Muller, Alfred","(4-Ethenylphenyl)diphenylphosphine selenide","Acta Crystallographica Section E","2012","68","9","o2690","","10.1107/S1600536812034289","","","0.71073","MoKα","","0.0257","0.0235","","","","0.0625","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236377","19.5893","0.0002","8.8118","0.0001","23.5034","0.0002","90","","114.886","0.001","90","","3680.37","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-tert-Butyl-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide","","- C20 H24 N2 O S -","- C20 H24 N2 O S -","- C160 H192 N16 O8 S8 -","8","2","IS5176","Yusof, M. Sukeri M.; Arshad, Suhana; Razak, Ibrahim Abdul; Rahman, Azhar Abdul","4-tert-Butyl-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide","Acta Crystallographica Section E","2012","68","9","o2670","","10.1107/S1600536812034174","","","0.71073","MoKα","","0.0727","0.0507","","","0.11","0.1196","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236378","13.0973","0.0006","8.6104","0.0004","24.5948","0.0012","90","","90","","90","","2773.6","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","IS5177","Fun, Hoong-Kun; Ooi, Chin Wei; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2634","","10.1107/S1600536812033971","","","0.71073","MoKα","","0.0478","0.0392","","","0.1048","0.1125","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236379","11.6817","0.0005","4.708","0.0002","25.2056","0.0015","90","","90","","90","","1386.24","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Dichloridobis(4-fluoroaniline-κN)zinc","","- C12 H12 Cl2 F2 N2 Zn -","- C12 H12 Cl2 F2 N2 Zn -","- C48 H48 Cl8 F8 N8 Zn4 -","4","1","IS5178","Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen","Dichloridobis(4-fluoroaniline-κN)zinc","Acta Crystallographica Section E","2012","68","9","m1152","","10.1107/S1600536812033922","","","0.71073","MoKα","","0.023","0.0203","","","0.0427","0.0433","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236380","7.443","0.0002","10.3298","0.0002","16.3817","0.0004","91.265","0.001","100.794","0.001","102.281","0.001","1206.39","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C50 H64 N4 O10 S2 -","2","1","IS5179","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Anantapong, Teerasak; Fun, Hoong-Kun","(E)-2-[4-(Diethylamino)styryl]-1-methylpyridinium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2012","68","9","o2728","o2729","10.1107/S1600536812035258","","","0.71073","MoKα","","0.0827","0.0491","","","0.1259","0.1445","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236381","7.3309","0.0002","38.3569","0.0008","16.8027","0.0004","90","","115.158","0.001","90","","4276.57","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine","","- C14 H11 N5 O6 -","- C14 H11 N5 O6 -","- C168 H132 N60 O72 -","12","3","IS5180","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Boonnak, Nawong","(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine","Acta Crystallographica Section E","2012","68","9","o2684","o2685","10.1107/S1600536812034812","","","0.71073","MoKα","","0.1289","0.0769","","","0.1345","0.1588","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236382","5.9845","0.0006","38.187","0.004","8.5412","0.0007","90","","123.372","0.005","90","","1630.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-3-[4-(Benzyloxy)phenyl]-1-(pyridin-3-yl)prop-2-en-1-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","IS5181","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2E)-3-[4-(Benzyloxy)phenyl]-1-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","9","o2724","","10.1107/S1600536812034897","","","0.71073","MoKα","","0.0786","0.0495","","","0.124","0.141","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236383","31.3965","0.0019","4.8657","0.0002","19.0124","0.0011","90","","107.772","0.004","90","","2765.8","0.3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C136 H96 Br8 N8 O8 -","8","1","IS5182","Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet","(E)-1-[(3-Bromophenyl)iminomethyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","9","o2779","","10.1107/S1600536812034824","","","0.71073","MoKα","","0.0675","0.0468","","","0.1073","0.1174","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236384","10.0311","0.0003","17.3096","0.0006","13.9223","0.0004","90","","91.829","0.003","90","","2416.16","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-4-chlorobenzenesulfonamide","","- C21 H20 Br Cl N4 O4 S2 -","- C21 H20 Br Cl N4 O4 S2 -","- C84 H80 Br4 Cl4 N16 O16 S8 -","4","1","IS5183","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-chlorobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2800","","10.1107/S1600536812036689","","","0.71073","MoKα","","0.0713","0.0451","","","0.1015","0.1167","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236385","16.561","0.001","8.1611","0.0006","21.476","0.002","90","","90.056","0.007","90","","2902.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C112 H112 N16 O32 S8 -","8","2","IS5184","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2823","","10.1107/S1600536812036926","","","0.71073","MoKα","","0.0796","0.0465","","","0.1082","0.1227","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236386","16.7798","0.0004","6.84599","0.00014","12.6126","0.0003","90","","90.723","0.002","90","","1448.75","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Piperidin-1-yl)-9,10-anthraquinone","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","IS5185","Wnuk, Elżbieta; Niedziałkowski, Paweł; Trzybiński, Damian; Ossowski, Tadeusz","1-(Piperidin-1-yl)-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2879","","10.1107/S1600536812037713","","","0.71073","MoKα","","0.0457","0.0387","","","0.0997","0.106","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236387","8.306","0.004","10.07","0.004","12.234","0.005","88.78","0.04","89.12","0.04","82.75","0.05","1014.8","0.8","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","5-[(4-Fluoroanilino)methyl]-6-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine","","- C25 H23 F N4 -","- C25 H23 F N4 -","- C50 H46 F2 N8 -","2","1","IS5187","Cieplik, Jerzy; Stolarczyk, Marcin; Bryndal, Iwona; Lis, Tadeusz","5-[(4-Fluoroanilino)methyl]-6-methyl-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","10","o2922","","10.1107/S160053681203783X","","","0.71073","MoKα","","0.1002","0.0487","","","0.0887","0.0932","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236388","9.7206","0.0012","4.9885","0.0006","28.725","0.004","90","","95.628","0.002","90","","1386.2","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxy-N-(4-methoxy-2-nitrophenyl)benzamide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","IS5189","Arshad, Muhammad; Yousuf, Sammer; Saeed, Sumayya; Basha, Fatima Z.","4-Methoxy-N-(4-methoxy-2-nitrophenyl)benzamide","Acta Crystallographica Section E","2012","68","10","o3028","","10.1107/S1600536812037701","","","0.71073","MoKα","","0.1014","0.0636","","","0.1372","0.1547","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236389","15.4316","0.0017","3.8261","0.0004","21.586","0.002","90","","102.114","0.002","90","","1246.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~3~-hydroxy[μ~4~-5-(4-carboxyphenyl)pyridine-2-carboxylato- κ^5^N,O^2^:O^2'^:O^4^:O^4'^]dicadmium]","","- C13 H9 Cd2 N O6 -","- C13 H9 Cd2 N O6 -","- C52 H36 Cd8 N4 O24 -","4","1","IS5190","Meng, Fan-Jin; Jia, Heng-Qing; Hu, Ning-Hai; Zhou, Hua","Poly[di-μ~3~-hydroxy[μ~4~-5-(4-carboxyphenyl)pyridine-2-carboxylato-κ^5^N,O^2^:O^2'^:O^4^:O^4'^]dicadmium]","Acta Crystallographica Section E","2012","68","11","m1364","","10.1107/S1600536812042444","","","0.71073","MoKα","","0.045","0.0367","","","0.0826","0.0866","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236390","7.434","0.0002","10.0355","0.0003","14.6803","0.0004","90","","114.191","0.001","90","","999.03","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","IS5191","Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, K. Joseph","6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine","Acta Crystallographica Section E","2012","68","10","o2910","","10.1107/S1600536812038019","","","0.71073","MoKα","","0.0473","0.0407","","","0.1152","0.1212","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236391","15.9952","0.0009","7.3104","0.0005","12.0351","0.0007","90","","96.912","0.001","90","","1397.05","0.15","100","1","100","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Adipic acid‒2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)","","- C26 H32 N10 O6 -","- C26 H32 N10 O6 -","- C52 H64 N20 O12 -","2","0.5","IS5192","Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, Kulandaisamy Joseph","Adipic acid‒2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)","Acta Crystallographica Section E","2012","68","10","o2938","o2939","10.1107/S1600536812038743","","","0.71073","MoKα","","0.0475","0.0393","","","0.1175","0.1255","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236392","6.05424","0.00018","29.3096","0.0009","7.2064","0.0002","90","","92.668","0.003","90","","1277.37","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(Biphenyl-4-yl)-1,3-thiazol-4-yl]methanol","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","IS5193","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.","[2-(Biphenyl-4-yl)-1,3-thiazol-4-yl]methanol","Acta Crystallographica Section E","2012","68","10","o2950","","10.1107/S1600536812039062","","","1.54184","CuKα","","0.0455","0.0414","","","0.1094","0.114","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236393","12.2822","0.0008","7.1605","0.0004","11.1226","0.0007","90","","92.435","0.001","90","","977.31","0.1","100","1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-2-oxoethanaminium chloride","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","IS5194","Fun, Hoong-Kun; Loh, Wan-Sin; Viveka, S.; Dinesha; Nagaraja, G. K.","2-(4-Methoxyphenyl)-2-oxoethanaminium chloride","Acta Crystallographica Section E","2012","68","10","o2987","","10.1107/S1600536812039645","","","0.71073","MoKα","","0.0373","0.0345","","","0.097","0.0993","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236394","4.3366","0.0001","12.9773","0.0003","13.2138","0.0003","84.919","0.002","87.353","0.002","84.611","0.001","736.9","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(E)-N'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1H- imidazol-1-yl)acetohydrazide","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C28 H30 N10 O8 -","2","1","IS5195","Fun, Hoong-Kun; Chia, Tze Shyang; Frank, Priya V.; Poojary, Mahesha; Kalluraya, Balakrishna","(E)-N'-(4-Methoxybenzylidene)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","10","o2988","o2989","10.1107/S1600536812039621","","","0.71073","MoKα","","0.076","0.0528","","","0.1186","0.1313","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236395","7.306","0.003","14.7425","0.0004","10.8281","0.0019","90","","96.91","0.04","90","","1157.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N\ρightarrowB)-4-Methyl-3-pyridyl[N- methyliminodiacetate-O,O',N]borane","","- C11 H13 B N2 O4 -","- C11 H13 B N2 O4 -","- C44 H52 B4 N8 O16 -","4","1","IS5196","Dabrowski, Marek; Durka, Krzysztof; Serwatowski, Janusz","(N\ρightarrow B)-4-Methyl-3-pyridyl[N-methyliminodiacetate-O,O',N]borane","Acta Crystallographica Section E","2012","68","11","o3070","","10.1107/S1600536812040974","","","0.7107","MoKα","","0.0662","0.0516","","","0.1375","0.1474","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236396","11.7093","0.0006","10.4594","0.0006","11.459","0.0006","90","","119.203","0.001","90","","1225.03","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","IS5197","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3151","o3152","10.1107/S1600536812041359","","","0.71073","MoKα","","0.0467","0.0388","","","0.1088","0.1161","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236397","9.615","0.0002","7.1362","0.0001","13.9716","0.0002","90","","100.118","0.0018","90","","943.75","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3-O-α-L-fucopyranosyl β-D-glucopyranoside tetrahydrate","","- C13 H32 O14 -","- C13 H32 O14 -","- C26 H64 O28 -","2","1","IS5198","Eriksson, Lars; Widmalm, Göran","Methyl 3-O-α-L-fucopyranosyl β-D-glucopyranoside tetrahydrate","Acta Crystallographica Section E","2012","68","11","o3180","o3181","10.1107/S1600536812041992","","","0.71073","MoKα","","0.0299","0.0283","","","0.0724","0.0729","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236398","6.216","0.005","30.674","0.004","7.405","0.005","90","","97.048","0.005","90","","1401.2","1.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitroanilinium p-toluenesulfonate","","- C13 H14 N2 O5 S -","- C13 H14 N2 O5 S -","- C52 H56 N8 O20 S4 -","4","1","IS5199","Sivakumar, P. K.; Krishnakumar, M.; Kanagadurai, R.; Chakkaravarthi, G.; Mohankumar, R.","4-Nitroanilinium p-toluenesulfonate","Acta Crystallographica Section E","2012","68","10","o3059","","10.1107/S1600536812040664","","","0.71073","MoKα","","0.0561","0.0528","","","0.1324","0.1342","","","","","","1.215","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236399","10.2583","0.0004","17.4727","0.0006","14.4375","0.0007","90","","97.199","0.004","90","","2567.38","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-[2-(5-Bromo-2-morpholin-4-ylpyrimidin-4-ylsulfanyl)-4-methoxyphenyl]- 2,4,6-trimethylbenzenesulfonamide","","- C24 H27 Br N4 O4 S2 -","- C24 H27 Br N4 O4 S2 -","- C96 H108 Br4 N16 O16 S8 -","4","1","IS5200","Kumar, Mohan; Mallesha, L.; Sridhar, M. A.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","N-[2-(5-Bromo-2-morpholin-4-ylpyrimidin-4-ylsulfanyl)-4-methoxyphenyl]-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3061","","10.1107/S1600536812040792","","","0.71073","MoKα","","0.0817","0.046","","","0.0889","0.1051","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236400","9.0318","0.0011","11.659","0.0014","12.1166","0.0015","90","","101.521","0.002","90","","1250.2","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 3-chlorobenzoate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C52 H52 Cl4 N8 O8 -","4","1","IS5201","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 3-chlorobenzoate","Acta Crystallographica Section E","2012","68","11","o3195","","10.1107/S1600536812043231","","","0.71073","MoKα","","0.0428","0.038","","","0.1103","0.1145","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236401","9.2394","0.0008","13.92","0.0011","12.1514","0.0008","90","","129.85","0.004","90","","1199.82","0.18","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 2-aminobenzoate","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","IS5202","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 2-aminobenzoate","Acta Crystallographica Section E","2012","68","11","o3196","o3197","10.1107/S1600536812043243","","","0.71073","MoKα","","0.0432","0.0366","","","0.0937","0.1007","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236402","5.4539","0.0001","14.0521","0.0003","16.5163","0.0004","90","","90","","90","","1265.79","0.05","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tyrosine isopropyl ester","Isopropyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","IS5203","Nuñez-Dallos, Nelson; Wurst, Klaus; Quevedo, Rodolfo","L-Tyrosine isopropyl ester","Acta Crystallographica Section E","2012","68","11","o3173","","10.1107/S1600536812042377","","","0.71073","MoKα","","0.0377","0.0364","","","0.0979","0.0991","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236403","7.953","0.0014","33.577","0.006","8.7247","0.0015","90","","100.809","0.002","90","","2288.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane","[N-Benzyl-N,N-bis(pentafluorophenylanide)ethyl]amine -methylaluminium(III)","","- C24 H18 Al F10 N3 -","- C24 H18 Al F10 N3 -","- C96 H72 Al4 F40 N12 -","4","1","IS5205","Kireenko, Marina M.; Zaitsev, Kirill V.; Churakov, Andrei V.; Zaitseva, Galina S.; Karlov, Sergey S.","6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane","Acta Crystallographica Section E","2012","68","11","m1385","m1386","10.1107/S1600536812042560","","","0.71073","MoKα","","0.0427","0.0362","","","0.0909","0.0944","","","","","","1.023","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236404","8.9311","0.0007","6.0283","0.0004","13.8694","0.001","90","","99.699","0.002","90","","736.05","0.09","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","","- C11 H14 Cl3 N O6 -","- C11 H14 Cl3 N O6 -","- C22 H28 Cl6 N2 O12 -","2","1","IS5207","Oishi, Takeshi; Oishi, Hiroki; Tsuzaki, Syun; Sato, Takaaki; Chida, Noritaka","(+)-(1S,5R,6R)-6-[(S)-1-Hydroxy-2-(methoxymethyloxy)ethyl]-1-methyl-3-trichloromethyl-2-aza-4,7-dioxabicyclo[3.3.0]oct-2-en-8-one","Acta Crystallographica Section E","2012","68","11","o3185","","10.1107/S1600536812042912","","","0.71073","MoKα","","0.0278","0.0266","","","0.0671","0.0687","","","","","","1.341","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236405","13.2884","0.0013","12.7364","0.001","11.4656","0.0009","90","","115.324","0.003","90","","1754","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole","","- C21 H15 F2 N3 O2 -","- C21 H15 F2 N3 O2 -","- C84 H60 F8 N12 O8 -","4","1","IS5210","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","3,5-Bis(4-fluorophenyl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole","Acta Crystallographica Section E","2012","68","11","o3216","o3217","10.1107/S160053681204370X","","","0.71073","MoKα","","0.0911","0.0674","","","0.1984","0.2212","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236406","4.3102","0.001","6.1076","0.0013","14.51","0.003","91.719","0.003","93.29","0.003","101.428","0.003","373.45","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanoanilinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C14 H14 Br2 N4 -","2","1","JJ2147","Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyanoanilinium bromide","Acta Crystallographica Section E","2012","68","10","o2884","","10.1107/S1600536812037014","","","0.71073","MoKα","","0.0214","0.0203","","","0.0505","0.051","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236407","9.1085","0.0002","16.2431","0.0004","9.4192","0.0002","90","","92.096","0.001","90","","1392.64","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","FK228","(1S,4S,7Z,10S,16E,21R)-7- ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23- tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone","","- C24 H36 N4 O6 S2 -","- C24 H36 N4 O6 S2 -","- C48 H72 N8 O12 S4 -","2","1","JJ2148","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","FK228 from Burkholderia thailandensis MSMB43","Acta Crystallographica Section E","2012","68","9","o2757","o2758","10.1107/S160053681203601X","","","1.54178","CuKα","","0.0252","0.0248","","","0.0645","0.0648","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236408","5.291","0.002","17.809","0.005","26.622","0.009","90","","90","","90","","2508.5","1.5","123","0.5","123","0.5","101.3","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","2","JJ2149","Li, Hairong; Fronczek, Frank R.; Watkins, Steven F.","Orthorhombic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H-inden-1-one","Acta Crystallographica Section E","2012","68","9","o2756","","10.1107/S1600536812035994","","","0.71073","MoKα","","","0.0569","","","","0.1104","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236409","7.796","0.002","7.808","0.002","18.48","0.005","90","","95.165","0.014","90","","1120.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-5-(4-carboxylatophenyl)pyridinium monohydrate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","JJ2150","Wei, Xiao-Hong; Yan, Hong; Lin, Wei-Gong","2-Amino-5-(4-carboxylatophenyl)pyridinium monohydrate","Acta Crystallographica Section E","2012","68","9","o2749","","10.1107/S1600536812035854","","","0.71073","MoKα","","0.1336","0.0795","","","0.1735","0.2081","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236410","7.1956","0.0018","13.091","0.009","11.987","0.01","90","","101.44","0.03","90","","1106.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(6-Aminopyridinium-3-yl)benzoate monohydrate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","JJ2152","Yuan, Zong-Yong; Zhao, Jun; Peng, Zhao","3-(6-Aminopyridinium-3-yl)benzoate monohydrate","Acta Crystallographica Section E","2012","68","11","o3119","","10.1107/S1600536812041943","","","0.71073","MoKα","","0.1211","0.0838","","","0.1907","0.2147","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236411","7.7948","0.0013","12.649","0.002","13.021","0.002","91.364","0.003","98.765","0.002","107.878","0.003","1204.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N-{(1Z)-1-[(6-Chloropyridin-3-ylmethyl)(ethyl)amino]-3-(3- chlorophenyl)-2-nitro-5-oxohex-1-enyl}-N-methylacetamide","","- C23 H26 Cl2 N4 O4 -","- C23 H26 Cl2 N4 O4 -","- C46 H52 Cl4 N8 O8 -","2","1","JJ2153","Sun, Chuan-Wen; Wu, Ying; Wang, Jing","N-{(1Z)-1-[(6-Chloropyridin-3-ylmethyl)(ethyl)amino]-3-(3-chlorophenyl)-2-nitro-5-oxohex-1-enyl}-N-methylacetamide","Acta Crystallographica Section E","2012","68","11","o3229","","10.1107/S1600536812043358","","","0.71073","MoKα","","0.0686","0.0638","","","0.1447","0.1475","","","","","","1.172","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236412","23.6627","0.0017","7.1449","0.0005","12.2265","0.0009","90","","117.47","0.001","90","","1834","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(2S,4S)-3-Benzoyl-4-benzyl-2-(tert-butyl)-1,3- oxazolidin-5-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","KJ2203","Dungan, Victoria J.; Mueller-Bunz, Helge; Rutledge, Peter J.","(2S,4S)-3-Benzoyl-4-benzyl-2-tert-butyl-1,3-oxazolidin-5-one","Acta Crystallographica Section E","2012","68","9","o2747","","10.1107/S1600536812035556","","","0.71073","MoKα","","0.0347","0.034","","","0.0871","0.0878","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236413","7.8996","0.0004","9.007","0.0004","13.5057","0.0007","104.176","0.003","90.977","0.003","113.466","0.003","847.52","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","","- C16 H13 Br F N3 O2 S -","- C16 H13 Br F N3 O2 S -","- C32 H26 Br2 F2 N6 O4 S2 -","2","1","KJ2209","Shafiq, Muhammad; Khan, Islam Ullah; Harrison, William T. A.; Hussain, Ajaz; Ashraf, Hina","6-Bromo-4-[2-(4-fluorobenzylidene)hydrazin-1-ylidene]-1-methyl-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","10","o2851","","10.1107/S1600536812037403","","","0.71073","MoKα","","0.1039","0.0427","","","0.0955","0.1182","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236414","16.2689","0.0019","3.9357","0.0004","19.951","0.0019","90","","109.499","0.003","90","","1204.2","0.2","223","","223","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6-dimethoxy-9,10-anthraquinone","2,6-dimethoxyanthracene-9,10-dione","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","KJ2210","Ohta, Akira; Hattori, Kazuki; Kobayashi, Takashi; Naito, Hiroyoshi; Kawase, Takeshi; Kitamura, Chitoshi","2,6-Dimethoxy-9,10-anthraquinone","Acta Crystallographica Section E","2012","68","10","o2843","","10.1107/S1600536812037361","","","0.71073","MoKα","","0.0983","0.057","","","0.139","0.1783","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236415","7.5271","0.0009","12.4095","0.0015","12.58","0.0014","90","","90","","90","","1175.1","0.2","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","KJ2211","Manjunath, B. C.; Abdoh, M. M. M; Mallesha, L.; Mohana, K. N.; Lokanath, N. K.","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","11","o3191","","10.1107/S1600536812043140","","","0.71073","MoKα","","0.052","0.0465","","","0.1185","0.1231","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236416","7.649","0.004","13.591","0.008","14.399","0.008","90","","101.371","0.007","90","","1467.5","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren- 3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","","- C29 H35 N3 O10 -","- C29 H35 N3 O10 -","- C58 H70 N6 O20 -","2","1","KP2429","Tong, Bihai; Zhang, Ye","2-[(8-Methoxycarbonyl-4b,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl)amino]-3,5-dinitrobenzoic acid ethyl acetate monosolvate","Acta Crystallographica Section E","2012","68","9","o2674","","10.1107/S1600536812032278","","","0.71073","MoKα","","0.0541","0.0413","","","0.0995","0.1074","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236417","7.06","0.002","9.412","0.003","23.321","0.006","90","","90","","90","","1549.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","1","KP2434","Li, Xiaokun; Zhao, Yuqing","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","Acta Crystallographica Section E","2012","68","11","o3098","","10.1107/S1600536812040895","","","0.71073","MoKα","","0.0539","0.0446","","","0.1226","0.1312","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236418","20.567","0.002","12.2647","0.0014","8.4287","0.0007","90","","90","","90","","2126.1","0.4","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Bis(5-methoxysalicylidene)-2,2-dimethyl-1,3-propane]copper(II) hydrate","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","0.5","KP2436","Ganji, Fatemeh; Kargar, Hadi; Kia, Reza; Mirkhani, Valiollah; Tahir, Muhammad Nawaz","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","10","m1255","","10.1107/S1600536812038135","","","0.71073","MoKα","","0.1608","0.0509","","","0.1047","0.1399","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236419","6.7014","0.0013","11.755","0.002","12.251","0.003","90","","98.38","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[hexaaqua(μ~4~-pyrimidine-4,6-dicarboxylato)tetralithium]","","- C6 H8 Li2 N2 O7 -","- C6 H8 Li2 N2 O7 -","- C24 H32 Li8 N8 O28 -","4","1","KP2437","Starosta, Wojciech; Leciejewicz, Janusz","Poly[hexaaquabis(μ~4~-pyrimidine-4,6-dicarboxylato)tetralithium]","Acta Crystallographica Section E","2012","68","10","m1270","m1271","10.1107/S1600536812038755","","","0.71073","MoKα","","0.0594","0.0372","","","0.1121","0.1263","","","","","","0.946","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236420","8.8092","0.0004","9.4066","0.0004","18.2661","0.0007","90","","90","","90","","1513.61","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl(pyridin-2-yl)phosphane selenide","","- C17 H14 N P Se -","- C17 H14 N P Se -","- C68 H56 N4 P4 Se4 -","4","1","KP2438","Davis, Wade L.; Muller, Alfred","Diphenyl(pyridin-2-yl)phosphane selenide","Acta Crystallographica Section E","2012","68","11","o3073","","10.1107/S160053681204007X","","","1.54178","CuKα","","0.0214","0.021","","","0.0524","0.0527","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236421","9.7652","0.0005","13.6368","0.0006","10.3537","0.0005","90","","114.217","0.006","90","","1257.43","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenyl (methylamido)phosphate","","- C13 H14 N O3 P -","- C13 H14 N O3 P -","- C52 H56 N4 O12 P4 -","4","1","LD2070","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Bartoš, Peter","Diphenyl (methylamido)phosphate","Acta Crystallographica Section E","2012","68","10","o2934","","10.1107/S160053681203869X","","","0.71073","MoKα","","0.0349","0.0276","","","0.0773","0.0791","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236422","17.837","0.0005","13.9173","0.0004","19.0561","0.0006","90","","99.222","0.001","90","","4669.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","meso-(1S*,21R*)-25-Methyl-8,11,14-trioxa-22,24,25- triazatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18- hexaene-23-thione chloroform monosolvate","","- C21 H24 Cl3 N3 O3 S -","- C21 H24 Cl3 N3 O3 S -","- C168 H192 Cl24 N24 O24 S8 -","8","2","LD2071","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Kurilkin, Vladimir V.; Khrustalev, Victor N.","meso-(1S*,21R*)-25-Methyl-8,11,14-trioxa-22,24,25-triazatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaene-23-thione chloroform monosolvate","Acta Crystallographica Section E","2012","68","10","o2848","o2849","10.1107/S1600536812037051","","","0.71073","MoKα","","0.0695","0.0509","","","0.1354","0.1453","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236423","9.9493","0.0005","14.7107","0.0008","26.6871","0.0017","90","","90","","90","","3906","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(2,3-Dimethylphenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl] benzenesulfonamide","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C160 H136 F16 N8 O32 S16 -","8","1","LD2072","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","N-(2,3-Dimethylphenyl)-4-fluoro-N-[(4-fluorophenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2973","","10.1107/S1600536812039402","","","0.71073","MoKα","","0.0813","0.0484","","","0.1152","0.1334","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236424","7.6126","0.0002","8.2124","0.0002","23.9893","0.0007","90","","94.448","0.001","90","","1495.24","0.07","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4,6-Trinitrophenyl 4-methylbenzoate","2,4,6-Trinitrophenyl 4-methylbenzoate","","- C14 H9 N3 O8 -","- C14 H9 N3 O8 -","- C56 H36 N12 O32 -","4","1","LD2074","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.; Corrêa, Rodrigo S.","2,4,6-Trinitrophenyl 4-methylbenzoate","Acta Crystallographica Section E","2012","68","11","o3107","","10.1107/S1600536812041773","","","0.71073","MoKα","","0.061","0.0432","","","0.1121","0.1233","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236425","9.4674","0.0006","12.2882","0.0009","16.0569","0.0012","108.426","0.007","97.357","0.006","100.245","0.006","1709.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","N,N-Diethyl-2-(4-methylbenzenesulfonamido)benzamide","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","2","LD2075","Altamura, Maria; Fedi, Valentina; Nannicini, Rossano; Paoli, Paola; Rossi, Patrizia","N,N-Diethyl-2-(4-methylbenzenesulfonamido)benzamide","Acta Crystallographica Section E","2012","68","11","o3144","o3145","10.1107/S160053681204264X","","","0.71073","MoKα","","0.0677","0.0447","","","0.1079","0.1176","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236426","11.7419","0.0002","12.8226","0.0002","12.8474","0.0002","66.576","0.001","82.703","0.001","67.769","0.001","1642.36","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-5-iodo-3-isopropylsulfonyl-1-benzofuran","","- C17 H14 F I O3 S -","- C17 H14 F I O3 S -","- C68 H56 F4 I4 O12 S4 -","4","2","LD2079","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(4-Fluorophenyl)-5-iodo-3-isopropylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2012","68","11","o3192","","10.1107/S1600536812043218","","","0.71073","MoKα","","0.0293","0.0248","","","0.058","0.06","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236427","7.3062","0.0004","26.5212","0.0013","10.3361","0.0005","90","","104.012","0.001","90","","1943.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,4-Dinitrophenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole","","- C21 H14 N4 O4 S -","- C21 H14 N4 O4 S -","- C84 H56 N16 O16 S4 -","4","1","LH5484","Susindran, V.; Athimoolam, S.; Bahadur, S. Asath; Manikannan, R.; Muthusubramanian, S.","1-(2,4-Dinitrophenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole","Acta Crystallographica Section E","2012","68","10","o2845","","10.1107/S1600536812036914","","","0.71073","MoKα","","0.0379","0.0346","","","0.0881","0.0906","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236428","7.4863","0.001","14.706","0.002","7.7232","0.0011","90","","96.898","0.002","90","","844.1","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-N'-methylbenzohydrazide","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","LH5501","Zhang, Xinwen","2-Hydroxy-N'-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","9","o2686","","10.1107/S160053681203468X","","","0.71073","MoKα","","0.0631","0.0478","","","0.1213","0.1294","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236429","4.8728","0.001","11.711","0.003","23.378","0.006","90","","90","","90","","1334.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","LH5505","Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Jahromi, Hossein Jalali; Tahir, Muhammad Nawaz","An orthorhombic polymorph of 2-(1,3-benzothiazol-2-yl)-6-ethoxyphenol","Acta Crystallographica Section E","2012","68","9","o2628","","10.1107/S1600536812033879","","","0.71073","MoKα","","0.1377","0.0675","","","0.1172","0.1444","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236430","12.9734","0.0005","4.99","0.0002","13.775","0.0004","90","","96.482","0.003","90","","886.06","0.06","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","N,N'-Dibenzyl-N''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","","- C16 H17 Cl F2 N3 O2 P -","- C16 H17 Cl F2 N3 O2 P -","- C32 H34 Cl2 F4 N6 O4 P2 -","2","1","LH5506","Pourayoubi, Mehrdad; Keikha, Mojtaba; Jasinski, Jerry P.; Keeley, Amanda C.","N,N'-Dibenzyl-N''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","10","o3009","","10.1107/S1600536812039712","","","0.71073","MoKα","","0.0586","0.0512","","","0.1169","0.1222","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236431","10.5048","0.0014","10.4254","0.0013","11.1294","0.0014","90","","92.772","0.004","90","","1217.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,5-Dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoic acid","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","1","LH5507","Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","2-(3,5-Dimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoic acid","Acta Crystallographica Section E","2012","68","10","o2859","","10.1107/S1600536812037026","","","0.71073","MoKα","","0.0455","0.0378","","","0.0978","0.1026","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236432","21.0394","0.0014","20.4128","0.001","7.6711","0.0005","90","","105.729","0.006","90","","3171.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","LH5508","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanol","Acta Crystallographica Section E","2012","68","9","o2697","","10.1107/S160053681203499X","","","0.71073","MoKα","","0.127","0.0657","","","0.1741","0.2118","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236433","38.59","0.08","11.35","0.02","17.04","0.03","90","","101.43","0.05","90","","7315","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-{(E)-2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium tetraphenylborate","","- C42 H43 B N2 -","- C42 H43 B N2 -","- C336 H344 B8 N16 -","8","1","LH5509","Li, Dan-Dan; Li, Rui; Li, Sheng-Li","4-{(E)-2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium tetraphenylborate","Acta Crystallographica Section E","2012","68","9","o2694","","10.1107/S1600536812034575","","","0.71073","MoKα","","0.0912","0.0556","","","0.1616","0.1987","","","","","","1.03","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236434","11.3691","0.0005","23.7595","0.001","25.5382","0.0011","110.322","0.001","96.172","0.001","97.079","0.001","6335.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","Hexakis{[1-(dimethylamino)propylidene]oxidanium} bis(dodecamolybdophosphate) N,N-dimethylpropionamide pentasolvate","","- C27.5 H63.5 Mo12 N5.5 O45.5 P -","- C27.5 H63.5 Mo12 N5.5 O45.5 P -","- C110 H254 Mo48 N22 O182 P4 -","4","2","LH5510","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Derakhshan Rad, Shadi","Hexakis{[1-(dimethylamino)propylidene]oxidanium} bis(dodecamolybdophosphate) N,N-dimethylpropionamide pentasolvate","Acta Crystallographica Section E","2012","68","9","m1226","m1227","10.1107/S1600536812036677","","","0.71073","MoKα","","0.1375","0.0551","","","0.073","0.0905","","","","","","0.937","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2236435","8.0204","0.0004","10.8943","0.0006","11.4329","0.0007","76.706","0.004","83.269","0.004","81.227","0.004","957.31","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole-5-carboxylate","","- C23 H17 F3 N2 O3 -","- C23 H17 F3 N2 O3 -","- C46 H34 F6 N4 O6 -","2","1","LH5511","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","9","o2715","o2716","10.1107/S1600536812034903","","","0.71073","MoKα","","0.1051","0.0747","","","0.1826","0.2058","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236436","17.2526","0.0009","6.8899","0.0003","7.5474","0.0003","90","","95.118","0.004","90","","893.57","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","magnesium p-fluorophenoxyacetate dihydrate","Poly[[diaquabis[μ-2-(4-fluorophenoxy)acetato- κ^2^O^1^:O^1'^]magnesium] 0.4-hydrate]","","- C16 H16.8 F2 Mg O8.4 -","- C16 H16.8 F2 Mg O8.4 -","- C32 H33.6 F4 Mg2 O16.8 -","2","0.5","LH5512","Smith, Graham","Poly[[diaquabis[μ-2-(4-fluorophenoxy)acetato-κ^2^O^1^:O^1'^]magnesium] 0.4-hydrate]","Acta Crystallographica Section E","2012","68","9","m1178","","10.1107/S1600536812035246","","","0.71073","MoKα","","0.0651","0.0467","","","0.0995","0.1086","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236437","6.5214","0.0004","9.2078","0.0006","10.5763","0.0007","67.447","0.006","80.212","0.005","78.863","0.005","572.24","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","N-(Dimethoxythiophosphanoyl)cyclohexanamine","O,O'-Dimethyl (cyclohexylamido)thiophosphate","","- C8 H18 N O2 P S -","- C8 H18 N O2 P S -","- C16 H36 N2 O4 P2 S2 -","2","1","LH5513","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek","O,O'-Dimethyl (cyclohexylamido)thiophosphate","Acta Crystallographica Section E","2012","68","10","o2891","","10.1107/S160053681203766X","","","0.71073","MoKα","","0.0311","0.025","","","0.0668","0.0685","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236438","5.3924","0.0002","16.5111","0.0005","20.1415","0.0006","90","","91.315","0.002","90","","1792.82","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Aminophenyl)-4-(4-ethoxyphenyl)-2-methoxynicotinonitrile","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","LH5514","Suwunwong, Thitipone; Chantrapromma, Suchada; Fun, Hoong-Kun","6-(4-Aminophenyl)-4-(4-ethoxyphenyl)-2-methoxynicotinonitrile","Acta Crystallographica Section E","2012","68","9","o2812","o2813","10.1107/S1600536812036276","","","0.71073","MoKα","","0.0959","0.0522","","","0.1308","0.1591","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236439","13.679","0.003","6.799","0.001","13.797","0.003","90","","97.37","0.02","90","","1272.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(2-Hydroxy-3-methoxybenzylideneamino)-6-methyl-3- sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one","","- C12 H12 N4 O3 S -","- C12 H12 N4 O3 S -","- C48 H48 N16 O12 S4 -","4","1","LH5515","Shirinkam, Bahareh; Tabatabaee, Masoumeh; Gassemzadeh, Mitra; Neumuller, Bernhard","(E)-4-(2-Hydroxy-3-methoxybenzylideneamino)-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one","Acta Crystallographica Section E","2012","68","9","o2815","","10.1107/S1600536812036756","","","0.71073","MoKα","","0.1903","0.0626","","","0.1187","0.1484","","","","","","0.687","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236440","8.0922","0.0003","9.2314","0.0004","17.7414","0.0008","90","","100.075","0.002","90","","1304.89","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-yl)acetate","","- C12 H13 N O5 S -","- C12 H13 N O5 S -","- C48 H52 N4 O20 S4 -","4","1","LH5516","Zia-ur-Rehman, Muhammad; Shahid, Bilal; Siddiqui, Hamid Latif; Ahmad, Tanveer; Parvez, Masood","Propan-2-yl 2-(1,1,3-trioxo-2,3-dihydro-1λ^6^,2-benzothiazol-2-yl)acetate","Acta Crystallographica Section E","2012","68","9","o2761","","10.1107/S1600536812036148","","","0.71073","MoKα","","0.0737","0.0551","","","0.1069","0.1188","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236441","7.4933","0.0002","13.9702","0.0003","14.5844","0.0003","109.046","0.0014","96.5998","0.0014","93.4671","0.0011","1425.77","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole- 1,1,3-trione","","- C15 H10 Cl N O4 S -","- C15 H10 Cl N O4 S -","- C60 H40 Cl4 N4 O16 S4 -","4","2","LH5517","Sattar, Nazia; Siddiqui, Hamid Latif; Ahmad, Naveed; Hussain, Tanvir; Parvez, Masood","2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ^6^,2-benzothiazole-1,1,3-trione","Acta Crystallographica Section E","2012","68","9","o2802","","10.1107/S1600536812036653","","","0.71073","MoKα","","0.0588","0.0449","","","0.0953","0.1051","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236442","22.3528","0.0013","8.1659","0.0005","19.7132","0.0012","90","","90","","90","","3598.3","0.4","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","2","LH5518","Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","Ethyl 6-(4-methoxyphenyl)-2-oxo-4-phenylcyclohex-3-enecarboxylate","Acta Crystallographica Section E","2012","68","9","o2788","o2789","10.1107/S1600536812036446","","","0.71073","MoKα","","0.0576","0.0493","","","0.1338","0.1393","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236443","11.2193","0.0007","12.9719","0.0008","12.9832","0.0008","82.637","0.001","69.831","0.001","82.976","0.001","1752.83","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate","","- C16 H27 Cl N O1.5 -","- C16 H27 Cl N O1.5 -","- C64 H108 Cl4 N4 O6 -","4","2","LH5519","Mokhtabad Amrei, Leila; Boeré, René T.","(Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate","Acta Crystallographica Section E","2012","68","10","o2870","","10.1107/S1600536812037543","","","0.71073","MoKα","","0.0578","0.0394","","","0.0907","0.1008","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236444","6.8028","0.0006","8.8925","0.0007","10.4301","0.0011","90","","101.78","0.001","90","","617.67","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-(Piperazine-1,4-diium-1,4-diyl)dipropionate dihydrate","","- C10 H22 N2 O6 -","- C10 H22 N2 O6 -","- C20 H44 N4 O12 -","2","0.5","LH5520","Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang","3,3'-(Piperazine-1,4-diium-1,4-diyl)dipropionate dihydrate","Acta Crystallographica Section E","2012","68","10","o2827","","10.1107/S1600536812037312","","","0.71073","MoKα","","0.049","0.0399","","","0.1025","0.1112","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236445","9.3918","0.0007","10.6652","0.0007","13.9135","0.0008","111.803","0.0018","106.258","0.003","90.416","0.003","1232.5","0.14","180","1","180","1","","","","","","","","5","P -1","-P 1","2","4-cyanopyridinium hydrogen chloranilate","4-Cyanopyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate","","- C12 H6 Cl2 N2 O4 -","- C12 H6 Cl2 N2 O4 -","- C48 H24 Cl8 N8 O16 -","4","2","LH5521","Gotoh, Kazuma; Ishida, Hiroyuki","A triclinic polymorph of 4-cyanopyridinium hydrogen chloranilate","Acta Crystallographica Section E","2012","68","10","o2830","","10.1107/S1600536812037221","","","0.71075","MoKα","","0.0843","0.0655","","","0.1553","0.1641","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236446","12.3678","0.0003","5.0537","0.0001","29.1554","0.0006","90","","92.071","0.002","90","","1821.11","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Acetamidoethyl)-1H-indol-5-yl 4-nitrophenyl carbonate","","- C19 H17 N3 O6 -","- C19 H17 N3 O6 -","- C76 H68 N12 O24 -","4","1","LH5522","Maurin, Jan K.; Zawadzka, Anna; Łozińska, Iwona; Czarnocki, Zbigniew","3-(2-Acetamidoethyl)-1H-indol-5-yl 4-nitrophenyl carbonate","Acta Crystallographica Section E","2012","68","10","o2915","","10.1107/S1600536812038238","","","1.54178","CuKα","","0.0596","0.044","","","0.1314","0.1377","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236447","24.335","0.004","7.2084","0.001","16.932","0.003","90","","133.396","0.01","90","","2158.2","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-5-nitro-N-[(E)-thiophen-2-ylmethylidene]aniline","","- C11 H9 N3 O2 S -","- C11 H9 N3 O2 S -","- C88 H72 N24 O16 S8 -","8","1","LH5523","Geiger, David K.; Geiger, H. Cristina; Donohoe, James S.","2-Amino-5-nitro-N-[(E)-thiophen-2-ylmethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2867","","10.1107/S1600536812037464","","","0.71073","MoKα","","0.0577","0.0503","","","0.1302","0.1378","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236448","8.5242","0.0001","8.5707","0.0001","14.3585","0.0003","90","","90","","90","","1049.01","0.03","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3R,4R,5R)-1-(2-carboxyethyl)-3,4-dihydroxy-5- hydroxymethyl-L-proline","N-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-D-mannonic acid","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","LH5524","Edgeley, David S.; Martínez, R. Fernando; Jenkinson, Sarah F.; Nash, Robert J.; Fleet, George W. J.; Thompson, Amber L.","N-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-D-mannonic acid [(3R,4R,5R)-1-(2-carboxyethyl)-3,4-dihydroxy-5-hydroxymethyl-L-proline]","Acta Crystallographica Section E","2012","68","10","o2865","o2866","10.1107/S1600536812037488","","","0.71073","MoKα","","0.0259","0.0242","","0.0615","0.0589","0.0615","","","","","","0.9311","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236449","8.6674","0.0013","10.9865","0.0017","12.1352","0.0019","74.405","0.003","72.891","0.003","85.981","0.004","1063.7","0.3","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(E)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C25 H32 O3 -","- C25 H32 O3 -","- C50 H64 O6 -","2","1","LH5525","Ngaini, Zainab; Fadzillah, Siti Muhaini Haris; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(E)-1-(4-Decyloxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2935","o2936","10.1107/S160053681203872X","","","0.71073","MoKα","","0.0683","0.0497","","","0.1426","0.1602","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236450","12.2602","0.0003","13.7267","0.0004","15.3163","0.0004","99.357","0.001","93.7","0.001","94.003","0.001","2529.56","0.12","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]- 1H-1,3-benzimidazole-5-carboxylate monohydrate","","- C27 H34 N4 O5 -","- C27 H34 N4 O5 -","- C108 H136 N16 O20 -","4","2","LH5526","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul","Ethyl 2-[4-(morpholin-4-yl)phenyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,3-benzimidazole-5-carboxylate monohydrate","Acta Crystallographica Section E","2012","68","10","o2967","o2968","10.1107/S1600536812039268","","","0.71073","MoKα","","0.0772","0.0552","","","0.1372","0.1518","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236451","8.7793","0.0015","8.4442","0.0015","23.81","0.004","90","","97.312","0.006","90","","1750.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[4-(Azetidin-1-ylsulfonyl)phenyl]-N-(2,4-difluorobenzyl) acetamide","","- C18 H18 F2 N2 O3 S -","- C18 H18 F2 N2 O3 S -","- C72 H72 F8 N8 O12 S4 -","4","1","LH5527","Lin, Jian-Mei; Li, Jia-Wen; Lv, Jing-Song","N-[4-(Azetidin-1-ylsulfonyl)phenyl]-N-(2,4-difluorobenzyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2929","","10.1107/S1600536812038342","","","0.71073","MoKα","","0.0524","0.0468","","","0.1367","0.1432","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236452","17.2908","0.0008","6.9946","0.0003","27.1617","0.0011","90","","90","","90","","3285","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N'-[(E)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C152 H128 N16 O24 -","8","2","LH5528","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","N'-[(E)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide","Acta Crystallographica Section E","2012","68","10","o2923","o2924","10.1107/S1600536812038408","","","0.71073","MoKα","","0.0797","0.0486","","","0.095","0.1118","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236453","5.499","0.003","10.079","0.006","19.942","0.012","90","","92.758","0.007","90","","1104","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N-(Naphthalen-1-ylmethylidene)-4H-1,2,4-triazol-4-amine","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","LH5529","Yang, Pan; Ding, Bin; Du, Gui-Xiang","N-(Naphthalen-1-ylmethylidene)-4H-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2012","68","10","o2966","","10.1107/S1600536812039104","","","0.71073","MoKα","","0.0511","0.0417","","","0.1061","0.1131","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236454","11.9975","0.0002","9.962","0.0002","12.7511","0.0002","90","","94.468","0.001","90","","1519.37","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2H-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4- trimethylpentan-2-yl)phenol","","- C33 H48 N4 O -","- C33 H48 N4 O -","- C66 H96 N8 O2 -","2","1","LH5530","Chen, Ming-Jen; Wu, Ban-Hsin; Li, Chen-Yu; Lin, Chia-Her; Ko, Bao-Tsan","2-(2H-Benzotriazol-2-yl)-6-[(dicyclohexylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol","Acta Crystallographica Section E","2012","68","10","o2944","","10.1107/S1600536812038962","","","0.71073","MoKα","","0.0427","0.0356","","","0.0949","0.1007","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236455","8.036","0.0007","9.3969","0.0008","9.5101","0.0009","105.789","0.001","103.303","0.001","106.497","0.002","624.75","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate","","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","- C26 H24 N4 O6 S2 -","1","0.5","LH5531","Wei, Shuai-Shuai; Jin, Shou-Wen; Dong, Qiong; Cao, Xin-Chao; Yu, Ze-Yun","Bis(2-methyl-1H-benzimidazol-3-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2012","68","10","o2964","","10.1107/S1600536812039396","","","0.71073","MoKα","","0.057","0.0427","","","0.1082","0.1191","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236456","22.902","0.0006","22.902","0.0006","18.326","0.0006","90","","90","","90","","9612","0.5","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","5-Chloro-N-{4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl}-\ 3-phenyl-1H-indole-2-carboxamide","","- C25 H17 Cl F3 N3 O2 S -","- C25 H17 Cl F3 N3 O2 S -","- C400 H272 Cl16 F48 N48 O32 S16 -","16","1","LH5532","Akkurt, Mehmet; Çelik, İsmail; Gürbüzel, Füsun Kazan; Özkırımlı, Sumru; Büyükgüngör, Orhan","5-Chloro-N-{4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide","Acta Crystallographica Section E","2012","68","10","o2969","o2970","10.1107/S1600536812039347","","","0.71073","MoKα","","0.1314","0.0731","","","0.1807","0.2095","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236457","8.3027","0.0002","8.5915","0.0003","22.3476","0.0007","90","","90.674","0.002","90","","1594","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H- benzo[e]pyrazolo[4,3-c][1,2]thiazin-1-yl)acetate","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","LH5533","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo[4,3-c][1,2]thiazin-1-yl)acetate","Acta Crystallographica Section E","2012","68","10","o3010","","10.1107/S1600536812039797","","","0.71073","MoKα","","0.0756","0.0556","","","0.1105","0.1265","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236458","6.8627","0.0014","19.434","0.004","9.854","0.002","90","","99.9","0.03","90","","1294.7","0.5","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","2-Aminopyridinium trans-diaquabis(oxalato-κ^2^O,O)chromate(III)","","- C9 H11 Cr N2 O10 -","- C9 H11 Cr N2 O10 -","- C36 H44 Cr4 N8 O40 -","4","1","LH5534","Nenwa, Justin; Bebga, Gouet; Martin, Signé; Bélombé, Michel M.; Mbarki, Mohammed; Fokwa, Boniface P. T.","2-Aminopyridinium trans-diaquabis(oxalato-κ^2^O,O)chromate(III)","Acta Crystallographica Section E","2012","68","11","m1325","m1326","10.1107/S1600536812040950","","","0.71073","MoKα","","0.0433","0.0386","","","0.0848","0.0878","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236459","9.2694","0.0004","18.3156","0.0008","12.6716","0.0007","90","","105.124","0.005","90","","2076.8","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-Methyl-1-phenyl-4-[(p-tolyl)(p- tolylamino)methylidene]-1H-pyrazol-5(4H)-one","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","LH5535","Sharma, Naresh; Vyas, Komal M.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","(Z)-3-Methyl-1-phenyl-4-[(p-tolyl)(p-tolylamino)methylidene]-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2012","68","10","o3036","","10.1107/S1600536812040330","","","0.71073","MoKα","","0.1001","0.0523","","","0.106","0.1316","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236460","12.366","0.014","6.789","0.008","12.579","0.014","90","","105.15","0.014","90","","1019","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-chlorobenzoyl)-N-(2-chlorophenyl)-O-[2-(2- nitrophenyl)acetyl]hydroxylamine","","- C21 H14 Cl2 N2 O5 -","- C21 H14 Cl2 N2 O5 -","- C42 H28 Cl4 N4 O10 -","2","1","LH5536","Ma, Jing; Ma, Yi; He, Dian","N-(4-chlorobenzoyl)-N-(2-chlorophenyl)-O-[2-(2-nitrophenyl)acetyl]hydroxylamine","Acta Crystallographica Section E","2012","68","11","o3067","","10.1107/S1600536812040883","","","0.71073","MoKα","","0.142","0.0542","","","","0.0686","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236461","15.572","0.005","18.706","0.005","15.853","0.005","90","","90","","90","","4618","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^N,O)zirconium(IV) dimethylformamide disolvate","","- C50 H54 N6 O6 Zr -","- C50 H54 N6 O6 Zr -","- C200 H216 N24 O24 Zr4 -","4","1","LH5537","Steyn, Maryke; Visser, Hendrik G.; Roodt, Andreas","Tetrakis(5,7-dimethylquinolin-8-olato-κ^2^N,O)zirconium(IV) dimethylformamide disolvate","Acta Crystallographica Section E","2012","68","11","m1344","m1345","10.1107/S1600536812042092","","","0.71073","MoKα","","0.066","0.0411","","","","0.0985","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236462","6.8377","0.0003","8.1115","0.0004","28.6187","0.0016","90","","90","","90","","1587.31","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","N,N-Dibenzyl-O,O'-dimethyl thiophosphate","","","- C16 H20 N O2 P S -","- C16 H20 N O2 P S -","- C64 H80 N4 O8 P4 S4 -","4","1","LH5538","Raissi Shabari, Akbar; Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","N,N-Dibenzyl-O,O'-dimethyl thiophosphate","Acta Crystallographica Section E","2012","68","11","o3074","","10.1107/S1600536812041220","","","0.71073","MoKα","","0.0301","0.0266","","","0.0631","0.0641","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236463","5.4394","0.0002","7.7754","0.0003","14.9262","0.0006","78.759","0.003","80.712","0.003","88.821","0.003","611.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Chlorophenyl)-4-methoxybenzamide","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","LH5539","Kant, Rajni; Sahi, Seema; Gupta, Vivek K.; Kapoor, Kamini; Paul, Satya","N-(4-Chlorophenyl)-4-methoxybenzamide","Acta Crystallographica Section E","2012","68","11","o3077","","10.1107/S1600536812041384","","","0.71073","MoKα","","0.049","0.0387","","","0.0929","0.0998","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236464","9.5586","0.0003","14.926","0.0005","16.7007","0.0006","90","","100.521","0.002","90","","2342.66","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')bis(dicyanamido- κN^1^)cadmium","","- C24 H16 Cd N10 -","- C24 H16 Cd N10 -","- C96 H64 Cd4 N40 -","4","1","LH5540","Mal, Dasarath; Sen, Rupam; Brandao, Paula; Lin, Zhi","Bis(2,2'-bipyridine-κ^2^N,N')bis(dicyanamido-κN^1^)cadmium","Acta Crystallographica Section E","2012","68","11","m1428","","10.1107/S1600536812044108","","","0.71073","MoKα","","0.0414","0.0283","","","0.0633","0.0687","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236465","6.2764","0.0007","6.9208","0.0007","12.781","0.0017","99.676","0.007","92.638","0.007","112.639","0.005","501.36","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis[2-(pyridin-4-yl-κN)pyrimidine-5-carboxylato]zinc","","- C20 H20 N6 O8 Zn -","- C20 H20 N6 O8 Zn -","- C20 H20 N6 O8 Zn -","1","0.5","LH5541","Sen, Rupam; Mal, Dasarath; Brandao, Paula; Lin, Zhi","Tetraaquabis[2-(pyridin-4-yl-κN)pyrimidine-5-carboxylato]zinc","Acta Crystallographica Section E","2012","68","11","m1429","","10.1107/S160053681204411X","","","0.71073","MoKα","","0.0361","0.0325","","","0.0874","0.0893","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236466","23.535","0.003","13.0758","0.0011","24.65","0.002","90","","115.67","0.02","90","","6837.1","1.6","298","2","298","2","101.3","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-carbonyl-bis[bis(triphenylphosphane)rhodium(0)](Rh—Rh) acetone disolvate","","- C80 H72 O4 P4 Rh2 -","- C74 H60 O2 P4 Rh2 -","- C296 H240 O8 P16 Rh8 -","4","0.5","LH5542","Gueorguieva, Petia G.; Laneman, Scott A.; Stanley, George G.; Fronczek, Frank R.; Watkins, Steven F.","Di-μ-carbonyl-bis[bis(triphenylphosphane)rhodium(0)](Rh—Rh) acetone disolvate","Acta Crystallographica Section E","2012","68","11","m1408","m1409","10.1107/S1600536812043528","","","0.71073","MoKα","","","0.0324","","","","0.0823","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236467","11.882","0.002","5.4983","0.001","17.494","0.003","90","","91.913","0.002","90","","1142.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{2-[imino(phenyl)methyl]-5-methoxyphenolato- κ^2^N,O^1^}nickel(II)","","- C28 H24 N2 Ni O4 -","- C28 H24 N2 Ni O4 -","- C56 H48 N4 Ni2 O8 -","2","0.5","LH5543","Xiao, Yu; Li, Zhong-Qiu; Peng, Xue Yan","Bis{2-[imino(phenyl)methyl]-5-methoxyphenolato-κ^2^N,O^1^}nickel(II)","Acta Crystallographica Section E","2012","68","11","m1387","","10.1107/S1600536812043061","","","0.71073","MoKα","","0.0333","0.0249","","","0.0595","0.0637","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236468","8.7636","0.0001","19.1184","0.0002","9.6735","0.0002","90","","98.485","0.001","90","","1603.02","0.04","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","midazol-1-yl)propanoate","Methyl 2-[(tert-butoxycarbonyl)amino]-3-(3-methyl-2-sulfanylidene- 2,3-dihydro-1H-imidazol-1-yl)propanoate","","- C13 H21 N3 O4 S -","- C13 H21 N3 O4 S -","- C52 H84 N12 O16 S4 -","4","1","LH5544","Chan, Chin-Feng; Guo, Yi-Cin; Huang, Bor-Hunn; Chen, Ming-Jen","Methyl 2-[(tert-butoxycarbonyl)amino]-3-(3-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)propanoate","Acta Crystallographica Section E","2012","68","11","o3206","","10.1107/S1600536812043486","","","1.54178","CuKα","","0.038","0.0364","","","0.1349","0.137","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236469","23.4405","0.0007","9.8835","0.0002","7.7924","0.0002","90","","99.536","0.003","90","","1780.35","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane","","- C18 H19 Cl3 O2 -","- C18 H19 Cl3 O2 -","- C72 H76 Cl12 O8 -","4","1","LH5546","Smith, Graham","1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane","Acta Crystallographica Section E","2012","68","11","o3219","","10.1107/S1600536812043826","","","0.71073","MoKα","","0.0648","0.0457","","","0.0818","0.0916","","","","","","0.905","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236470","7.135","0.002","7.885","0.002","12.184","0.004","89.76","0.03","75.09","0.03","85.65","0.02","660.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(Diphenylmethylidene)pyrrolidin-2-one","","- C17 H15 N O -","- C17 H15 N O -","- C34 H30 N2 O2 -","2","1","LH5547","Hsu, Tzu-Fang; Chen, Yan-Ru; Huang, Bor-Hunn; Chen, Ming-Jen","5-(Diphenylmethylidene)pyrrolidin-2-one","Acta Crystallographica Section E","2012","68","11","o3224","","10.1107/S1600536812043851","","","0.71073","MoKα","","0.1082","0.0741","","","0.1918","0.2253","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236471","8.4906","0.0004","4.8997","0.0002","18.9309","0.0009","90","","94.906","0.004","90","","784.67","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-hydroxyiminomethyl-6-methoxyphenolato-κ^2^N,O^1^)copper(II)","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","0.5","LR2071","Petrusenko, Svitlana R.; Belozub, Yaroslava I.; Kokozay, Volodymyr N.; Omelchenko, Irina V.","Bis(2-hydroxyiminomethyl-6-methoxyphenolato-κ^2^N,O^1^)copper(II)","Acta Crystallographica Section E","2012","68","9","m1165","","10.1107/S1600536812032187","","","0.71073","MoKα","","0.0393","0.0283","","","0.0723","0.0767","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236472","15.0788","0.0013","20.432","0.003","7.8456","0.0007","90","","90","","90","","2417.2","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","(2,6-DMPyH).Br","2,6-Dimethylpyridinium bromide","","- C7 H10 Br N -","- C7 H10 Br N -","- C84 H120 Br12 N12 -","12","1.5","LR2077","Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi","2,6-Dimethylpyridinium bromide","Acta Crystallographica Section E","2012","68","10","o2983","o2984","10.1107/S1600536812039578","","","0.71073","MoKα","","0.0584","0.0404","","","0.0935","0.102","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236473","18.7615","0.0016","6.2105","0.0011","19.0407","0.0012","90","","114.594","0.008","90","","2017.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(2-Pyridyl)-1,3-bis(2-hydroxybenzyl)hexahydropyrimidine","2,2'-{[2-(Pyridin-2-yl)-1,3-diazinane-1,3-diyl]bis(methylene)}diphenol","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","1","LR2078","Bortoluzzi, Adailton J.; Terra, Geovana G.","2,2'-{[2-(Pyridin-2-yl)-1,3-diazinane-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2012","68","9","o2744","","10.1107/S1600536812035477","","","0.71073","MoKα","","0.1234","0.0515","","","0.1225","0.1461","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236474","14.6851","0.0004","6.0786","0.0002","17.1647","0.0004","90","","102.223","0.001","90","","1497.47","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","LR2079","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2012","68","9","o2742","","10.1107/S1600536812035714","","","0.71073","MoKα","","0.0449","0.0376","","","0.0958","0.1005","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236475","10.8848","0.0003","10.0453","0.0002","8.442","0.0003","90","","110.669","0.004","90","","863.64","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Ethoxybenzohydrazide","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","LR2080","Farman, Muhammad; Khanum, Saira; Hameed, Shahid; Jones, Peter G.; Ahmad, Tanveer","4-Ethoxybenzohydrazide","Acta Crystallographica Section E","2012","68","10","o2955","o2956","10.1107/S1600536812038998","","","0.71073","MoKα","","0.0384","0.0339","","","0.1042","0.106","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236476","11.5029","0.0004","9.5001","0.0003","16.1874","0.0006","90","","107.078","0.003","90","","1690.94","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","LR2083","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","11","o3172","","10.1107/S1600536812042808","","","1.5418","CuKα","","0.0378","0.0332","","","0.1013","0.1044","","","","","","1.93","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236477","12.6753","0.0017","10.5413","0.0011","23.581","0.003","90","","100.878","0.004","90","","3094.1","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole","","- C16 H11 Br N2 S2 -","- C16 H11 Br N2 S2 -","- C128 H88 Br8 N16 S16 -","8","2","LR2085","Geiger, David K.; Destefano, Matthew R.","5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole","Acta Crystallographica Section E","2012","68","11","o3123","","10.1107/S1600536812042146","","","0.71073","MoKα","","0.0622","0.0382","","","0.0822","0.0911","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236478","7.479","0.002","24.7","0.008","7.056","0.002","90","","107.744","0.006","90","","1241.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridinium cis-diaquabis(oxalato-κ^2^O,O')chromate(III)","","- C9 H10 Cr N O10 -","- C9 H10 Cr N O10 -","- C36 H40 Cr4 N4 O40 -","4","1","LR2086","Nenwa, Justin; Befolo, Olivier; Gouet, Bebga; Mbarki, Mohammed; Fokwa, Boniface P. T.","Pyridinium cis-diaquabis(oxalato-κ^2^O,O')chromate(III)","Acta Crystallographica Section E","2012","68","11","m1434","","10.1107/S1600536812044303","","","0.71073","MoKα","","0.1053","0.0608","","","0.1293","0.1602","","","","","","1.125","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236479","8.1385","0.0002","9.6245","0.0002","14.8388","0.0003","90","","92.997","0.002","90","","1160.72","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-chloro-N-ethyl-9-isopropyl-9H-purine-6-amine","","- C10 H14 Cl N5 -","- C10 H14 Cl N5 -","- C40 H56 Cl4 N20 -","4","1","LX2254","Giovagnoli, Federico Andrés; Rouchal, Michal; Bartoš, Peter; Vícha, Robert","2-Chloro-N-ethyl-9-isopropyl-9H-purin-6-amine","Acta Crystallographica Section E","2012","68","9","o2759","","10.1107/S1600536812035933","","","0.71073","MoKα","","0.0291","0.025","","","0.0679","0.0691","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236480","11.0043","0.0013","12.0372","0.0009","11.3693","0.001","90","","99.312","0.009","90","","1486.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetrafluoroborate","","- C13 H19 B F4 N2 -","- C13 H19 B F4 N2 -","- C52 H76 B4 F16 N8 -","4","1","LX2260","Junge, Denise M.; Scadova, Derek R.; Golen, James A.; Jasinski, Jerry P.","1-Butyl-3-ethyl-1H-benzimidazol-3-ium tetrafluoroborate","Acta Crystallographica Section E","2012","68","10","o2862","","10.1107/S1600536812037476","","","1.54178","CuKα","","0.0509","0.0484","","","0.1342","0.1366","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236481","11.1008","0.0004","11.9156","0.0005","21.0511","0.0009","90","","90.944","0.002","90","","2784.11","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3'-Ferrocenylcarbonyl-1'-methyl-4'-phenylspiro[indeno[2,3- b]quinoxaline-11,2'-pyrrolidine]","","- C36 H29 Fe N3 O -","- C36 H29 Fe N3 O -","- C144 H116 Fe4 N12 O4 -","4","1","LX2263","Vijayakumar, B.; Gavaskar, D.; Srinivasan, T.; Raghunathan, R.; Velmurugan, D.","3'-Ferrocenylcarbonyl-1'-methyl-4'-phenylspiro[indeno[2,3-b]quinoxaline-11,2'-pyrrolidine]","Acta Crystallographica Section E","2012","68","11","m1382","m1383","10.1107/S1600536812042468","","","0.71073","MoKα","","0.0665","0.0378","","","0.0898","0.1051","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236482","8.5266","0.0004","15.2732","0.0007","15.5688","0.0008","69.752","0.002","88.372","0.002","80.402","0.002","1874.64","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56- azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^] hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene","","- C43 H45 N O12 -","- C43 H45 N O12 -","- C86 H90 N2 O24 -","2","1","LX2264","Kim, Jun Hee; Yoon, Il; Sim, Wonbo; Lee, Jai Young","2,9,12,15,18,25,27,34,37,40,43,50-Dodecaoxa-56-azaheptacyclo[24.24.5.1^51,55^.0^3,8^.0^19,24^.0^28,33^.0^44,49^]hexapentaconta-3,5,7,19(24),20,22,28(33),29,31,44,46,48,51,53,55-pentadecaene","Acta Crystallographica Section E","2012","68","10","o2913","","10.1107/S1600536812038093","","","0.71073","MoKα","","0.0415","0.0371","","","0.0937","0.0973","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236483","9.966","0.002","15.587","0.003","10.477","0.002","90","","91.6","0.03","90","","1626.9","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","MW2063","Zhou, Qin-Qin","1-[(Pyridin-3-yl)(pyrrolidin-1-yl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","9","o2614","","10.1107/S1600536812033363","","","0.71073","MoKα","","0.0738","0.0498","","","0.1081","0.1217","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236484","12.69","0.003","13.632","0.003","14.493","0.003","96.87","0.03","115.47","0.03","110.96","0.03","1999.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^N,N')(3-methylbenzoato- κ^2^O,O')zinc 3-methylbenzoate‒3-methylbenzoic acid‒water (1/1/2)","","- C44 H42 N4 O8 Zn -","- C44 H42 N4 O8 Zn -","- C88 H84 N8 O16 Zn2 -","2","1","MW2076","Ye, Qiu-qi; Qi, Jin-li; Lin, Jian-li","Bis(2,2'-bipyridine-κ^2^N,N')(3-methylbenzoato-κ^2^O,O')zinc 3-methylbenzoate‒3-methylbenzoic acid‒water (1/1/2)","Acta Crystallographica Section E","2012","68","9","m1156","m1157","10.1107/S1600536812034216","","","0.71073","MoKα","","0.0858","0.0412","","","0.0946","0.1468","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236485","12.292","0.003","11.114","0.002","23.264","0.005","90","","98.37","0.03","90","","3144.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^N)imidazoline-1-oxyl 3-oxide-κO]tris(nitrato-κ^2^O,O')terbium(III)","","- C24 H32 N9 O13 Tb -","- C24 H32 N9 O13 Tb -","- C96 H128 N36 O52 Tb4 -","4","1","MW2078","Li, Dong-jiao","Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^N)imidazoline-1-oxyl 3-oxide-κO]tris(nitrato-κ^2^O,O')terbium(III)","Acta Crystallographica Section E","2012","68","11","m1341","","10.1107/S1600536812040287","","","0.71073","MoKα","","0.0397","0.031","","","0.0667","0.0707","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236486","6.158","0.001","9.223","0.002","15.407","0.004","90","","95.785","0.008","90","","870.6","0.3","100","0.5","100","0.5","101.3","","","","","","","4","P 1 21 1","P 2yb","4","","2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]- L-iditol","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C40 H40 O8 S2 -","2","1","MW2079","Gibson, Jerrell G.; Cho, Jung Young; Fronczek, Frank R.; Watkins, Steven F.","Monoclinic polymorph of 2,5-dideoxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenylmethylene]-L-iditol","Acta Crystallographica Section E","2012","68","9","o2668","o2669","10.1107/S1600536812034514","","","0.71073","MoKα","","","0.037","","","","0.0882","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236487","5.3604","0.0008","7.8585","0.0011","16.357","0.002","87.4656","0.0017","86.2519","0.0016","85.624","0.0017","685.02","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(4-Hexyl-1H-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C28 H34 N10 O2 -","2","1","MW2081","Key, Jessie A.; Cairo, Christopher W.; Ferguson, Michael J.","5-(4-Hexyl-1H-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole","Acta Crystallographica Section E","2012","68","11","o3128","o3129","10.1107/S1600536812041815","","","0.71073","MoKα","","0.0455","0.036","","","0.0924","0.0994","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236488","6.4225","0.0004","12.4973","0.0007","9.8176","0.0007","90","","101.243","0.006","90","","772.88","0.09","298","2","298","1","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4'-[rel-(2R,3R,4R,5R)-3,4- Dimethyltetrahydrofuran-2,5-diyl]diphenol","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","MW2082","Favela-Hernández, Juan Manuel de Jesús; Camacho-Corona, María del Rayo; Bernès, Sylvain; Flores-Alamo, Marcos","4,4'-[(2R*,3R*,4R*,5R*)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol","Acta Crystallographica Section E","2012","68","10","o3019","o3020","10.1107/S1600536812039359","","","0.71073","MoKα","","0.0752","0.0444","","","0.0925","0.1057","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236489","5.7526","0.0004","9.9261","0.0006","11.7012","0.0008","90.3799","0.0007","99.2517","0.0007","103.29","0.0007","641.14","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole","","- C15 H11 N5 O -","- C15 H11 N5 O -","- C30 H22 N10 O2 -","2","1","MW2083","Key, Jessie A.; Cairo, Christopher W.; McDonald, Robert","5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole","Acta Crystallographica Section E","2012","68","11","o3130","o3131","10.1107/S1600536812041827","","","0.71073","MoKα","","0.0414","0.0352","","","0.0911","0.0957","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236490","16.5752","0.0016","5.5429","0.0005","16.2452","0.0016","90","","91.3612","0.0013","90","","1492.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-1H-1,2,3-triazol-4-yl]hexan-1-one","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","MW2084","Key, Jessie A.; Cairo, Christopher W.; McDonald, Robert","1-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-1H-1,2,3-triazol-4-yl]hexan-1-one","Acta Crystallographica Section E","2012","68","11","o3132","","10.1107/S1600536812041839","","","0.71073","MoKα","","0.057","0.04","","","0.0836","0.0911","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236491","12.1574","0.0005","8.8559","0.0002","13.8604","0.0004","90","","93.355","0.003","90","","1489.72","0.08","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[Bis(4-fluorophenyl)methyl]piperazine","","- C17 H18 F2 N2 -","- C17 H18 F2 N2 -","- C68 H72 F8 N8 -","4","1","MW2085","Dayananda, A. S.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Ramesha, A. R.; Kubicki, Maciej","1-[Bis(4-fluorophenyl)methyl]piperazine","Acta Crystallographica Section E","2012","68","9","o2817","","10.1107/S1600536812036902","","","1.5418","CuKα","","0.0368","0.0354","","","0.0945","0.0958","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236492","5.773","0.0003","7.7465","0.0004","15.1707","0.0008","98.318","0.003","90.638","0.003","105.641","0.002","645.55","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","Benzylammoniumhexanoate","Benzylammonium hexanoate","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C26 H42 N2 O4 -","2","1","MW2086","Wood, Mary H.; Clarke, Stuart M.","Benzylammonium hexanoate","Acta Crystallographica Section E","2012","68","10","o3004","","10.1107/S1600536812039931","","","0.71073","MoKα","","0.1101","0.0677","","","0.1523","0.1766","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236493","20.7264","0.0015","8.9791","0.0007","13.9745","0.0019","90","","127.2","0.004","90","","2071.5","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CAU-72","catena-poly[zinc-μ~3~-{3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10- diyl)bis(methylene)]dibenzoato}]","","- C24 H28 N2 O6 Zn -","- C24 H28 N2 O6 Zn -","- C96 H112 N8 O24 Zn4 -","4","0.5","MW2087","Ingram, C. W.; Liao, L.; Bacsa, J.","catena-Poly[zinc-μ~3~-{3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}]","Acta Crystallographica Section E","2012","68","11","m1410","","10.1107/S1600536812043450","","","1.54184","CuKα","","0.0363","0.0329","","","0.0828","0.0862","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236494","9.54362","0.00013","11.98179","0.00019","9.90669","0.00014","90","","92.9406","0.0014","90","","1131.33","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) hexachloridostannate(IV)","","- C12 H32 Cl6 N2 Sn -","- C12 H32 Cl6 N2 Sn -","- C24 H64 Cl12 N4 Sn2 -","2","0.5","MW2089","Reiss, Guido J.; Helmbrecht, Cora","Bis(diisopropylammonium) hexachloridostannate(IV)","Acta Crystallographica Section E","2012","68","11","m1402","m1403","10.1107/S1600536812043371","","","0.71073","MoKα","","0.0254","0.0209","","","0.0453","0.0481","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236495","9.3861","0.0003","12.2552","0.0004","21.482","0.0007","85.274","0.002","86.843","0.001","74.954","0.001","2376.76","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Nitrato-κO)tris[tris(4-fluorophenyl)phosphane-κP]copper(I)","","- C54 H36 Cu F9 N O3 P3 -","- C54 H36 Cu F9 N O3 P3 -","- C108 H72 Cu2 F18 N2 O6 P6 -","2","1","MW2090","Hill, Tania N.; Roodt, Andreas","(Nitrato-κO)tris[tris(4-fluorophenyl)phosphane-κP]copper(I)","Acta Crystallographica Section E","2012","68","11","m1396","m1397","10.1107/S1600536812043346","","","0.71073","MoKα","","","0.0346","","","","0.0846","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236496","19.0732","0.0018","11.6191","0.0011","19.693","0.003","90","","90","","90","","4364.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-acetato-1:2κ^2^O:O';2:3κ^2^O:O'-\ bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-\ diylbis(nitrilomethanylylidene)]diphenolato}-\ 1:2κ^6^O,N,N',O':O,O'; 2:3κ^6^O,O':O,N,N',O'-tricopper(II)","","- C42 H42 Cl4 Cu3 N4 O8 -","- C42 H42 Cl4 Cu3 N4 O8 -","- C168 H168 Cl16 Cu12 N16 O32 -","4","0.5","MW2092","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko","Di-μ~2~-acetato-1:2κ^2^O:O';2:3κ^2^O:O'-bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^O,N,N',O':O,O';2:3κ^6^O,O':O,N,N',O'-tricopper(II)","Acta Crystallographica Section E","2012","68","11","m1430","m1431","10.1107/S1600536812044315","","","0.71069","MoKα","","","0.035","","","","0.1048","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236497","22.3018","0.0008","4.6829","0.0016","31.6082","0.0012","90","","103.752","0.004","90","","3206.4","1.1","190","2","190","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","NC2286","Balić, Tomislav; Marković, Berislav; Balić, Ivana","4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde","Acta Crystallographica Section E","2012","68","9","o2664","","10.1107/S1600536812034241","","","0.71073","MoKα","","0.0504","0.0386","","","0.0913","0.0982","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236498","4.8159","0.0005","10.2482","0.0005","8.3573","0.0009","90","","102.842","0.004","90","","402.15","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2E,4R,5R,6S)-2-(4,5,6-Trihydroxycyclohex-2-en-1- ylidene)acetonitrile","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C16 H18 N2 O6 -","2","1","NC2287","Guedem, Alphonsine N.; Sandjo, Louis P.; Opatz, Till; Schollmeyer, Dieter; Ngadjui, Bonaventure T.","(2E,4R,5R,6S)-2-(4,5,6-Trihydroxycyclohex-2-en-1-ylidene)acetonitrile","Acta Crystallographica Section E","2012","68","9","o2737","","10.1107/S1600536812035313","","","1.54178","CuKα","","0.0258","0.0255","","","0.0708","0.0711","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236499","11.8915","0.0001","11.8915","0.0001","11.5736","0.0002","90","","90","","120","","1417.33","0.03","123","","123","","","","","","","","","4","R -3","-R 3","148","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Ethyne‒ammonia‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/2/1)","","- C14 H32 N2 O6 -","- C14 H32 N2 O6 -","- C42 H96 N6 O18 -","3","","NC2288","Grassl, Tobias; Hamberger, Markus; Korber, Nikolaus","Acetylene‒ammonia‒18-crown-6 (1/2/1)","Acta Crystallographica Section E","2012","68","10","o2933","","10.1107/S1600536812038792","","","1.54184","CuKα","","0.0387","0.0363","","","0.0968","0.1001","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236500","10.898","0.005","6.23","0.003","15.095","0.008","90","","108.928","0.006","90","","969.5","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-tert-butylphenol","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C42 H56 N4 O2 -","2","1","NC2289","Ding, Liqin; Lü, Xingqiang; Zhao, Shunsheng; Zhu, Yuqin","(E)-2-[(2-Aminophenyl)iminomethyl]-4,6-di-tert-butylphenol","Acta Crystallographica Section E","2012","68","10","o2942","","10.1107/S1600536812038615","","","0.71073","MoKα","","0.0481","0.0438","","","0.1232","0.1285","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236501","13.973","0.002","9.1794","0.0013","7.5105","0.0011","90","","99.441","0.004","90","","950.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[4-(2-Propyn-1-yloxy)phenyl]acetamide","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","NC2291","Belay, Yonas H.; Kinfe, Henok H.; Muller, Alfred","N-[4-(2-Propyn-1-yloxy)phenyl]acetamide","Acta Crystallographica Section E","2012","68","11","o3072","","10.1107/S1600536812041207","","","0.71073","MoKα","","0.0421","0.0367","","","","0.0998","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236502","8.693","0.0017","10.175","0.002","12.203","0.002","97.452","0.004","100.683","0.004","111.61","0.003","962.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-κO)(acetato-κO,O')bis(1,3-diazinane-2-thione- κS)cadmium(II)","","- C12 H22 Cd N4 O4 S2 -","- C12 H22 Cd N4 O4 S2 -","- C24 H44 Cd2 N8 O8 S4 -","2","1","NC2292","Mahmood, Rashid; Ghulam Hussain, Saima; Fettouhi, Mohammed; Isab, Anvarhusein A.; Ahmad, Saeed","(Acetato-κO)(acetato-κO,O')bis(1,3-diazinane-2-thione-κS)cadmium(II)","Acta Crystallographica Section E","2012","68","11","m1352","m1353","10.1107/S1600536812041852","","","0.71073","MoKα","","0.0473","0.0329","","","0.076","0.0817","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236503","11.5954","0.0005","12.087","0.0007","13.4304","0.0001","100.224","0.002","94.6231","0.0017","95.0167","0.0013","1836.44","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5- trimethylphenyl)phosphinidene](triphenylphosphane)-triangulo- triruthenium","","- C35 H28 O8 P2 Ru3 -","- C35 H28 O8 P2 Ru3 -","- C70 H56 O16 P4 Ru6 -","2","1","NC2293","Kakizawa, Taeko","Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5-trimethylphenyl)phosphinidene](triphenylphosphane)-triangulo-triruthenium","Acta Crystallographica Section E","2012","68","10","m1293","","10.1107/S1600536812039499","","","0.71069","MoKα","","0.0356","0.0302","","","0.0922","0.118","","","","","","1.228","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236504","6.4775","0.0004","7.0037","0.0004","13.1628","0.0008","88.81","0.005","87.033","0.005","71.927","0.006","566.92","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","N,N'-bis[(3-hydroxy-4(4H)-oxypyran-2-yl)methyl]-N, N'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate","","- C16 H26 Cl4 N2 O8 Pt -","- C16 H26 Cl4 N2 O8 Pt -","- C16 H26 Cl4 N2 O8 Pt -","1","0.5","NC2294","Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia","N,N'-bis[(3-hydroxy-4(4H)-oxypyran-2-yl)methyl]-N,N'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate","Acta Crystallographica Section E","2012","68","11","m1323","m1324","10.1107/S1600536812040949","","","0.71073","MoKα","","0.0237","0.0234","","","0.049","0.049","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236505","12.5263","0.0007","6.7638","0.0004","29.703","0.002","90","","98.352","0.005","90","","2489.9","0.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Potassium N-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate","","- C6 H6 Br Cl2 K N O3.5 S -","- C6 H6 Br Cl2 K N O3.5 S -","- C48 H48 Br8 Cl16 K8 N8 O28 S8 -","8","1","NC2295","Gowda, B. Thimme; Foro, Sabine; Spandana, H. S.","Potassium N-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2012","68","11","m1368","","10.1107/S1600536812042456","","","0.71073","MoKα","","0.0445","0.0372","","","0.0896","0.0925","","","","","","1.09","","","","has coordinates,has Fobs","197043","2020-10-21","18:00:00",""
"2236506","12.0137","0.0002","8.2257","0.0001","15.0513","0.0002","90","","102.952","0.001","90","","1449.54","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibenzo[b,f][1,4]thiazepin-11-yl-diethyl-amine","","- C17 H18 N2 S -","- C17 H18 N2 S -","- C68 H72 N8 S4 -","4","1","NC2296","Altamura, Maria; Guidi, Antonio; Jierry, Loic; Paoli, Paola; Rossi, Patrizia","Dibenzo[b,f][1,4]thiazepin-11-yl-diethyl-amine","Acta Crystallographica Section E","2012","68","11","o3133","o3134","10.1107/S1600536812042328","","","1.5418","CuKα","","0.0429","0.0316","","","0.0821","0.0862","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236507","15.62","0.003","14.598","0.003","18.616","0.004","90","","90","","90","","4244.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(1,3-dimethylimidazolin-2-one-κN)(1,10- phenanthroline-κ^2^N,N')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^O^2^:O^5^]","","- C23 H20 Cu N4 O6 -","- C23 H20 Cu N4 O6 -","- C184 H160 Cu8 N32 O48 -","8","1","NG5281","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","catena-Poly[[(1,3-dimethylimidazolin-2-one-κN)(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^]","Acta Crystallographica Section E","2012","68","9","m1140","","10.1107/S160053681203111X","","","0.71073","MoKα","","0.0859","0.0467","","","0.0962","0.1087","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236508","7.5493","0.001","6.6775","0.0009","19.335","0.003","90","","92.884","0.002","90","","973.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato- κ^4^N^1^,O^2^:O^2^,O^2'^)lead(II)]","","- C6 H7 Br N2 O3 Pb -","- C6 H7 Br N2 O3 Pb -","- C24 H28 Br4 N8 O12 Pb4 -","4","1","NG5284","Yang, Pan; Liu, Yan; Li, Hua Yun; Ding, Bin","Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato-κ^4^N^1^,O^2^:O^2^,O^2'^)lead(II)]","Acta Crystallographica Section E","2012","68","9","m1139","","10.1107/S1600536812033776","","","0.71073","MoKα","","0.036","0.0334","","","0.0887","0.0905","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236509","7.7353","0.0009","17.478","0.002","8.3822","0.001","90","","102.137","0.002","90","","1107.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(di-2-pyridylamine-κ^2^N^2^,N^2'^)palladium(II) bis(thiocyanate)","","- C22 H18 N8 Pd S2 -","- C22 H18 N8 Pd S2 -","- C44 H36 N16 Pd2 S4 -","2","0.5","NG5285","Ha, Kwang","Bis(di-2-pyridylamine-κ^2^N^2^,N^2'^)palladium(II) bis(thiocyanate)","Acta Crystallographica Section E","2012","68","9","m1145","","10.1107/S1600536812033958","","","0.71073","MoKα","","0.0623","0.0344","","","0.0723","0.0883","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236510","6.1874","0.0003","10.7109","0.0004","26.8188","0.0011","79.128","0.004","89.027","0.004","82.883","0.003","1731.97","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dicyclohexyl-4-nitrobenzamide","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","2","NG5286","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","N,N-Dicyclohexyl-4-nitrobenzamide","Acta Crystallographica Section E","2012","68","9","o2762","","10.1107/S1600536812035660","","","1.54184","CuKα","","0.085","0.0797","","","0.2332","0.2394","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236511","7.346","0.002","7.866","0.002","12.342","0.003","101.61","0.03","90.51","0.03","98.72","0.03","689.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2,6-Diacetylpyridine‒resorcinol (1/1)","1-(6-Acetylpyridin-2-yl)ethanone‒benzene-1,3-diol (1/1)","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C30 H30 N2 O8 -","2","1","NG5287","Ton, Quoc-Cuong; Bolte, Michael","2,6-Diacetylpyridine‒resorcinol (1/1)","Acta Crystallographica Section E","2012","68","9","o2699","","10.1107/S1600536812035131","","","0.71073","MoKα","","0.0858","0.0502","","","0.1179","0.1297","","","","","","0.934","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236512","8.2349","0.0005","10.5411","0.0007","13.5115","0.0009","93.412","0.003","94.139","0.003","105.102","0.003","1125.66","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone","","- C29 H26 O4 -","- C29 H26 O4 -","- C58 H52 O8 -","2","1","NG5288","Hill, Tania N.; Kuo, C.-M.; Bezuidenhoudt, Barend C. B.","1-(3-Benzyl-4,6-dibenzyloxy-2-hydroxyphenyl)ethanone","Acta Crystallographica Section E","2012","68","10","o2863","","10.1107/S160053681203588X","","","0.71073","MoKα","","","0.0429","","","","0.1073","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236513","15.1249","0.0005","4.6223","0.0001","17.1024","0.0006","90","","107.782","0.004","90","","1138.54","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium 3,5-dinitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua(μ~3~-3,5-dinitrobenzoato- κO^1^:O^3^:O^5^)caesium]","","- C7 H7 Cs N2 O8 -","- C7 H7 Cs N2 O8 -","- C28 H28 Cs4 N8 O32 -","4","1","NG5289","Smith, Graham","Poly[μ~3~-aqua-aqua(μ~3~-3,5-dinitrobenzoato-κO^1^:O^3^:O^5^)caesium]","Acta Crystallographica Section E","2012","68","10","m1241","m1242","10.1107/S1600536812037130","","","0.71073","MoKα","","0.0294","0.0236","","","0.0461","0.0484","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236514","24.906","0.0004","24.906","","14.9684","0.0002","90","","90","","90","","9285.03","0.19","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","3,5,3',5'-Tetramethyl-4,4'-bi(1H-pyrazolyl) hemihydrate","","- C10 H15 N4 O0.5 -","- C10 H15 N4 O0.5 -","- C320 H480 N128 O16 -","32","1","NG5290","Jin, Shouwen; Huang, Yanfei; Fang, Hao; Wang, Tianyi; Ding, Liangliang","3,5,3',5'-Tetramethyl-4,4'-bi(1H-pyrazolyl) hemihydrate","Acta Crystallographica Section E","2012","68","10","o2896","","10.1107/S1600536812037920","","","0.71073","MoKα","","0.0797","0.0525","","","0.151","0.169","","","","","","1.099","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236515","14.963","0.003","8.5","0.002","20.385","0.004","90","","90","","90","","2592.7","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","chelidamic acid and 2,6-diaminopyridine","2,6-Diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","","- C12 H12 N4 O5 -","- C12 H12 N4 O5 -","- C96 H96 N32 O40 -","8","2","NG5291","Ton, Quoc-Cuong; Bolte, Michael","Intra- and intermolecular proton transfer in 2,6-diaminopyridinium 4-hydroxypyridin-1-ium-2,6-dicarboxylate","Acta Crystallographica Section E","2012","68","10","o2860","o2861","10.1107/S1600536812037580","","","0.71073","MoKα","","0.0431","0.0362","","","0.0802","0.0828","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236516","10.148","0.0011","11.0016","0.0011","21.183","0.002","90","","90","","90","","2365","0.4","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo- 4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10- diido)disilver(I)]","","- C26 H22 Ag2 N6 O4 -","- C26 H22 Ag2 N6 O4 -","- C104 H88 Ag8 N24 O16 -","4","0.5","NG5293","Zhang, Yongmei","Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene](μ~4~-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0^2,6^.0^8,12^]tetradec-13-ene-4,10-diido)disilver(I)]","Acta Crystallographica Section E","2012","68","10","m1289","m1290","10.1107/S1600536812039669","","","0.71073","MoKα","","0.0709","0.0338","","","0.0775","0.0935","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236517","12.3791","0.0008","13.1285","0.0009","21.5723","0.0015","90","","97.405","0.004","90","","3476.7","0.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[Hydridotris(pyrazol-1-yl-κN^2^)borato]bis(methylamino-Nk) (triphenylphosphine-κP)ruthenium(II) chloride dichloromethane solvate monohydrate","","- C30 H39 B Cl3 N8 O P Ru -","- C30 H39 B Cl3 N8 O P Ru -","- C120 H156 B4 Cl12 N32 O4 P4 Ru4 -","4","1","NG5297","Lin, Yi-Dong; Chang, Chin-Pei; Huang, Quan-Sheng; Lo, Yih-Hsing","[Hydridotris(pyrazol-1-yl-κN^2^)borato]bis(methylamino-κN)(triphenylphosphine-κP)ruthenium(II) chloride dichloromethane solvate monohydrate","Acta Crystallographica Section E","2012","68","11","m1346","","10.1107/S1600536812042110","","","0.71073","MoKα","","0.1812","0.0711","","","0.1277","0.167","","","","","","0.991","","","","has coordinates,has Fobs","194589","2020-10-21","18:00:00",""
"2236518","15.4522","0.0008","13.9073","0.0008","19.3269","0.001","90","","103.862","0.003","90","","4032.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(diphenyl-p-tolylphosphane-κP)(2-hydroxy-3,5,7-\ bromocyclohepta-2,4,6-trienonato-κ^2^O,O')copper(I)","","- C45 H36 Br3 Cu O2 P2 -","- C45 H36 Br3 Cu O2 P2 -","- C180 H144 Br12 Cu4 O8 P8 -","4","0.5","NG5299","Barnard, Nicola I.; Hill, Tania N.","Bis(diphenyl-p-tolylphosphane-κP)(2-hydroxy-3,5,7-bromocyclohepta-2,4,6-trienonato-κ^2^O,O')copper(I)","Acta Crystallographica Section E","2012","68","11","m1354","m1355","10.1107/S1600536812042286","","","0.71073","MoKα","","0.0618","0.0444","","","","0.1302","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236519","4.6813","0.001","6.1986","0.0016","12.993","0.003","90","","92.995","0.017","90","","376.51","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Sodium pentafluorophenylborate","","- C6 H3 B F5 Na -","- C6 H3 B F5 Na -","- C12 H6 B2 F10 Na2 -","2","1","NG5300","Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael","Sodium pentafluorophenylborate","Acta Crystallographica Section E","2012","68","11","m1371","","10.1107/S1600536812042584","","","0.71073","MoKα","","0.0757","0.0583","","","0.1297","0.1379","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236520","10.215","0.003","7.4588","0.0019","11.819","0.003","90","","100.17","0.005","90","","886.4","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","9-(2-carboxy-2-cyanovinyl) julolidine or CCVJ","2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin- 9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C36 H44 N4 O6 S2 -","2","1","NG5301","Yennawar, Hemant; He, Gang; Rumble, Christopher; Maroncelli, Mark","2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","11","o3204","o3205","10.1107/S1600536812043383","","","0.71073","MoKα","","0.0708","0.0512","","","0.1314","0.1455","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236521","8.8621","0.0018","8.9016","0.0018","12.523","0.003","88.33","0.03","69.31","0.03","66.85","0.03","842.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')copper(II)]- μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] dihydrate]","","- C16 H16 Cu N2 O8 -","- C16 H16 Cu N2 O8 -","- C32 H32 Cu2 N4 O16 -","2","1","NG5302","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","catena-Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1416","","10.1107/S1600536812043632","","","0.71073","MoKα","","0.0374","0.034","","","0.0905","0.092","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236522","9.6095","0.0011","13.7083","0.0016","13.3305","0.0016","90","","109.177","0.002","90","","1658.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabromidobis(dicyclohexylphosphane-κP)digallium (Ga—Ga)","","- C24 H46 Br4 Ga2 P2 -","- C24 H46 Br4 Ga2 P2 -","- C48 H92 Br8 Ga4 P4 -","2","0.5","NK2174","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Tetrabromidobis(dicyclohexylphosphane-κP)digallium(Ga—Ga)","Acta Crystallographica Section E","2012","68","10","m1245","","10.1107/S1600536812035982","","","0.71073","MoKα","","0.0394","0.034","","","0.0665","0.068","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236523","6.8187","0.0007","9.7877","0.0012","14.7423","0.0012","92.512","0.008","98.898","0.008","99.704","0.009","955.67","0.18","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dicyclohexyl-3,5-dinitrobenzamide","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C38 H50 N6 O10 -","2","1","NK2179","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","N,N-Dicyclohexyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","10","o2953","","10.1107/S1600536812038500","","","1.54184","CuKα","","0.0539","0.0446","","","0.1214","0.1318","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236524","17.9308","0.0005","7.1881","0.0002","19.8333","0.0006","90","","90","","90","","2556.28","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O4 S -","- C11 H17 N O4 S -","- C88 H136 N8 O32 S8 -","8","1","NK2181","Mushtaq, Nafeesa; Khan, Islam Ullah; Yar, Muhammad; Afzal, Sadia; Simpson, Jim","N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3142","","10.1107/S1600536812041682","","","0.71073","MoKα","","0.0677","0.0502","","","0.1443","0.1611","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236525","9.0994","0.0001","9.8039","0.0001","18.1882","0.0002","90","","96.865","0.0004","90","","1610.93","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2,6-Bis(1-methylethyl)phenyl]pyridine-4-carboxamide","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C72 H88 N8 O4 -","4","1","NK2182","Laramée, Baptiste; Cibian, Mihaela; Hanan, Garry S.","N-[2,6-Bis(1-methylethyl)phenyl]pyridine-4-carboxamide","Acta Crystallographica Section E","2012","68","10","o2975","o2976","10.1107/S1600536812038846","","","1.54178","CuKα","","0.0375","0.0364","","","0.0957","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236526","5.333","0.0002","10.9634","0.0005","11.25","0.0004","113.642","0.004","94.359","0.003","98.465","0.003","589.34","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","DL-tyrosinium chloride dihydrate","DL-tyrosinium chloride dihydrate","","- C9 H16 Cl N O5 -","- C9 H16 Cl N O5 -","- C18 H32 Cl2 N2 O10 -","2","1","NK2187","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","DL-Tyrosinium chloride dihydrate","Acta Crystallographica Section E","2012","68","11","o3227","o3228","10.1107/S1600536812043899","","","0.71073","MoKα","","0.0427","0.0316","","","0.0816","0.0844","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236527","5.198","0.0002","21.7123","0.001","13.0244","0.0006","90","","100.163","0.002","90","","1446.88","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Dicyclohexylparabanic acid","1,3-Dicyclohexylimidazolidine-2,4,5-trione","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NK2188","Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Silva, Artur M. S.; Almeida Paz, Filipe A.","1,3-Dicyclohexylimidazolidine-2,4,5-trione: a second polymorph","Acta Crystallographica Section E","2012","68","11","o3233","o3234","10.1107/S1600536812043619","","","0.71073","MoKα","","0.063","0.0427","","","0.0933","0.1042","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236528","15.175","0.0011","8.9097","0.0006","17.944","0.0014","90","","96.235","0.006","90","","2411.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1H-benzimidazol- 3-ium bromide monohydrate","","- C24 H29 Br N2 O Si -","- C24 H29 Br N2 O Si -","- C96 H116 Br4 N8 O4 Si4 -","4","1","NR2031","Akkurt, Mehmet; Küçükbay, Hasan; Şireci, Nihat; Büyükgüngör, Orhan","1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1H-benzimidazol-3-ium bromide monohydrate","Acta Crystallographica Section E","2012","68","9","o2718","o2719","10.1107/S1600536812034915","","","0.71073","MoKα","","0.1367","0.0693","","","0.1455","0.1728","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236529","6.6304","0.0005","7.7772","0.0005","16.7587","0.0009","77.655","0.003","87.969","0.002","85.734","0.003","841.69","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","[(E)-1-(Naphthalen-2-yl)ethylidene](naphthalen-1-ylmethyl)amine","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","NR2032","Bruno, Sofia M.; Fernandes, José A.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","[(E)-1-(Naphthalen-2-yl)ethylidene](naphthalen-1-ylmethyl)amine","Acta Crystallographica Section E","2012","68","11","o3143","","10.1107/S1600536812041414","","","0.71073","MoKα","","0.074","0.0444","","","0.1053","0.1211","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236530","7.4821","0.0004","8.111","0.0002","8.179","0.0001","70.811","0.01","74.98","0.014","84.883","0.015","452.76","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diaminopyridinium dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C10 H20 N6 O8 P2 -","2","1","PK2425","Yu, Gang","2,6-Diaminopyridinium dihydrogen phosphate","Acta Crystallographica Section E","2012","68","9","o2751","","10.1107/S1600536812035489","","","0.71073","MoKα","","0.0353","0.0336","","","0.0885","0.0897","","","","","","1.173","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236531","12.16673","0.00018","15.5692","0.0002","12.624","0.0002","90","","104.672","0.0016","90","","2313.34","0.06","290","2","290","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[tris(1-methyl-1H-imidazol-2-yl- κN^3^)methanol]manganese(I) trifluoromethanesulfonate","","- C17 H16 F3 Mn N6 O7 S -","- C17 H16 F3 Mn N6 O7 S -","- C68 H64 F12 Mn4 N24 O28 S4 -","4","1","PK2428","Reiss, Guido J.; Kunz, Peter C.","Tricarbonyl[tris(1-methyl-1H-imidazol-2-yl-κN^3^)methanol]manganese(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2012","68","9","m1202","m1203","10.1107/S1600536812035891","","","0.71073","MoKα","","0.0467","0.0396","","","0.0794","0.084","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236532","9.265","0.0002","15.6882","0.0004","14.7891","0.0003","90","","90.941","0.002","90","","2149.32","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trimethylammonium dichloridotriphenylstannate(IV)","","- C21 H25 Cl2 N Sn -","- C21 H25 Cl2 N Sn -","- C84 H100 Cl8 N4 Sn4 -","4","1","PK2438","Diop, Tidiane; Diop, Libasse; Jasinski, Jerry P.; Keeley, Amanda C.","Trimethylammonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2012","68","10","m1279","","10.1107/S1600536812038457","","","1.5418","CuKα","","0.0346","0.0304","","","0.0788","0.0828","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236533","8.183","0.002","11.768","0.003","14.979","0.004","90","","98.37","0.01","90","","1427.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate","","- C15 H13 N5 O4 -","- C15 H13 N5 O4 -","- C60 H52 N20 O16 -","4","1","PK2439","Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas","2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate","Acta Crystallographica Section E","2012","68","9","o2808","","10.1107/S1600536812036562","","","0.71073","MoKα","","0.0395","0.0347","","","","0.1","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236534","20.613","0.002","10.5671","0.0009","15.0687","0.0012","90","","90","","90","","3282.3","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetrakis(dimethylammonium) trans-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1H-tetrazol- 1-ido-κN^1^)]copper(II)","","- C20 H36 Cl2 Cu N24 -","- C20 H36 Cl2 Cu N24 -","- C80 H144 Cl8 Cu4 N96 -","4","","PK2440","Liao, Ju-Hsiou; Shi, Pei-Shan","Tetrakis(dimethylammonium) trans-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1H-tetrazol-1-ido-κN^1^)]copper(II)","Acta Crystallographica Section E","2012","68","10","m1234","","10.1107/S1600536812036896","","","0.71073","MoKα","","0.0339","0.0302","","","0.0828","0.0851","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236535","9.5137","0.001","4.8991","0.0007","20.249","0.003","90","","94.165","0.01","90","","941.3","0.2","299","3","299","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dibromoindan-1-ol","","- C9 H8 Br2 O -","- C9 H8 Br2 O -","- C36 H32 Br8 O4 -","4","1","PK2441","Çelik, Ísmail; Akkurt, Mehmet; Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago","2,5-Dibromoindan-1-ol","Acta Crystallographica Section E","2012","68","9","o2795","o2796","10.1107/S1600536812035829","","","1.5418","CuKα","","0.1786","0.0816","","","0.1619","0.2278","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236536","8.1346","0.0003","23.2926","0.0008","10.1505","0.0003","90","","97.304","0.002","90","","1907.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","12-(4-Methoxybenzoyl)-2-methylbenzo[f]pyrido[1,2-a]indole- 6,11-dione","","- C25 H17 N O4 -","- C25 H17 N O4 -","- C100 H68 N4 O16 -","4","1","PK2443","Novina, J. Josephine; Vasuki, G.; Liu, Yun; Sun, Jin-Wei","12-(4-Methoxybenzoyl)-2-methylbenzo[f]pyrido[1,2-a]indole-6,11-dione","Acta Crystallographica Section E","2012","68","10","o3040","","10.1107/S1600536812040408","","","0.71073","MoKα","","0.0649","0.0434","","","0.108","0.1199","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236537","7.3264","0.0003","8.7103","0.0004","16.196","0.0007","90","","90","","90","","1033.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Chlorophenylamino)-pent-3-en-2-one","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C44 H48 Cl4 N4 O4 -","4","1","PK2444","Venter, Gertruida J.S.; Brink, Alice; Steyl, Gideon; Roodt, Andreas","4-(2-Chlorophenylamino)-pent-3-en-2-one","Acta Crystallographica Section E","2012","68","11","o3101","o3102","10.1107/S1600536812042043","","","0.71073","MoKα","","0.0261","0.0254","","","","0.0677","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236538","10.8595","0.001","11.0267","0.001","13.3031","0.0012","76.404","0.002","79.151","0.002","81.976","0.002","1513.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2-{[2-(diphenylphosphino)phenyl]thio}phenyl)diphenylphosphine sulfide","","- C36 H28 P2 S2 -","- C36 H28 P2 S2 -","- C72 H56 P4 S4 -","2","1","PK2445","Alvarez-Larena, Angel; Martinez-Cuevas, Francisco J.; Flor, Teresa; Real, Juli","(2-{[2-(diphenylphosphino)phenyl]thio}phenyl)diphenylphosphine sulfide","Acta Crystallographica Section E","2012","68","11","o3094","","10.1107/S1600536812041347","","","0.71073","MoKα","","0.1043","0.0594","","","0.1169","0.1354","","","","","","0.975","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236539","12.8518","0.001","7.9663","0.0009","13.681","0.0012","90","","103.672","0.005","90","","1361","0.2","90","0.5","90","0.5","101.3","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1E,2E)-1,2-Bis[(1-benzyloxymethyl-1H-indol- 3-yl)methylidene]hydrazine","","- C34 H30 N4 O2 -","- C34 H30 N4 O2 -","- C68 H60 N8 O4 -","2","0.5","PK2449","Myers, Jacob A.; Fronczek, Frank R.; Watkins, Steven F.","(1E,2E)-1,2-Bis[(1-benzyloxymethyl-1H-indol-3-yl)methylidene]hydrazine","Acta Crystallographica Section E","2012","68","11","o3158","","10.1107/S1600536812042493","","","0.71073","MoKα","","","0.0556","","","","0.1261","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236540","12.6436","0.0003","20.9735","0.0004","14.8855","0.0003","90","","105.092","0.002","90","","3811.2","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-μ-sulfido-bis{[rac-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1- yl)ethane]zirconium(IV)} toluene monosolvate","","- C47 H56 S2 Zr2 -","- C47 H56 S2 Zr2 -","- C188 H224 S8 Zr8 -","4","1","PK2450","Haehnel, Martin; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","Di-μ-sulfido-bis{[rac-1,2-bis(η^5^-4,5,6,7-tetrahydroinden-1-yl)ethane]zirconium(IV)} toluene monosolvate","Acta Crystallographica Section E","2012","68","11","m1425","","10.1107/S1600536812044121","","","0.71073","MoKα","","0.0329","0.0272","","","0.0704","0.0717","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236541","7.4612","0.0003","10.8737","0.0005","14.8465","0.0009","90","","90","","90","","1204.51","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-3-Methoxy-N-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","PV2561","Akbal, Tufan; Ağar, Erbil; Erdönmez, Ahmet","(Z)-3-Methoxy-N-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","9","o2673","","10.1107/S1600536812033120","","","0.71073","MoKα","","0.0332","0.0301","","","0.0743","0.0756","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236542","13.6348","0.0017","5.8768","0.0007","15.869","0.002","90","","90","","90","","1271.6","0.3","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-[(E)-(Naphthalen-2-yl)iminomethyl]phenol","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","PV2571","Sharif, Hafiz Muhammad Adeel; Alvi, Dildar Ahmed; Yousuf, S.","2-[(E)-(Naphthalen-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2629","","10.1107/S1600536812033843","","","0.71073","MoKα","","0.0641","0.0376","","","0.078","0.089","","","","","","0.997","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236543","12.855","0.003","10.139","0.001","27.845","0.005","90","","100.23","0.02","90","","3571.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5a-Butyl-1,3,8,10-tetrachloro-7,13-bis(4-nitrobenzoyl)-5a,6a,12a,12b- tetrahydro-7H,13H-thieno[2,3-b:4,5- b']bis(1,4-benzoxazine)","","- C34 H24 Cl4 N4 O8 S -","- C34 H24 Cl4 N4 O8 S -","- C136 H96 Cl16 N16 O32 S4 -","4","1","PV2572","Tang, Kai; Kastner, Margaret E.","5a-Butyl-1,3,8,10-tetrachloro-7,13-bis(4-nitrobenzoyl)-5a,6a,12a,12b-tetrahydro-7H,13H-thieno[2,3-b:4,5-b']bis(1,4-benzoxazine)","Acta Crystallographica Section E","2012","68","9","o2647","o2648","10.1107/S1600536812034149","","","0.71073","MoKα","","0.0864","0.0454","","","0.1092","0.1231","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236544","14.191","0.002","5.0109","0.0008","22.535","0.004","90","","99.01","0.004","90","","1582.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3,4-Dimethoxybenzylidene)-4-methoxybenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","PV2573","Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Sammer, Yousuf","(E)-N'-(3,4-Dimethoxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","9","o2780","","10.1107/S1600536812034228","","","0.71073","MoKα","","0.141","0.0563","","","0.0874","0.1153","","","","","","0.96","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236545","8.8402","0.0014","11.7653","0.0018","13.931","0.002","107.163","0.002","102.529","0.003","104.984","0.003","1268.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^N)nickel(II)]-μ-oxido- [dioxidotungstate(VI)]-μ-oxido] tetrahydrate]","","- C16 H44 N4 Ni O8 W -","- C16 H44 N4 Ni O8 W -","- C32 H88 N8 Ni2 O16 W2 -","2","1","PV2574","Ou, Guang-Chuan; Yuan, Xian-You; Li, Zhi-Zhang","catena-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N)nickel(II)]-μ-oxido-[dioxidotungstate(VI)]-μ-oxido] tetrahydrate]","Acta Crystallographica Section E","2012","68","9","m1173","","10.1107/S1600536812034538","","","0.71073","MoKα","","0.0557","0.0382","","","0.0883","0.0961","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236546","9.1028","0.0003","9.9477","0.0002","18.5465","0.0005","90","","92.268","0.003","90","","1678.11","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2,4-Difluorobenzoyl)[bis(pyrrolidin-1-yl)phosphoryl]amine","Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide","","- C15 H20 F2 N3 O2 P -","- C15 H20 F2 N3 O2 P -","- C60 H80 F8 N12 O8 P4 -","4","1","PV2575","Keikha, Mojtaba; Pourayoubi, Mehrdad; Jasinski, Jerry P.; Golen, James A.","Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl)amide","Acta Crystallographica Section E","2012","68","9","o2688","","10.1107/S1600536812034733","","","0.71073","MoKα","","0.045","0.0397","","","0.1033","0.1078","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236547","11.5164","0.0008","10.1427","0.0005","19.9054","0.0011","90","","90","","90","","2325.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-N-(3-nitrophenyl)acetamide","","- C8 H5 Cl3 N2 O3 -","- C8 H5 Cl3 N2 O3 -","- C64 H40 Cl24 N16 O24 -","8","1","PV2576","Prabhu, A. N.; Upadhyaya, V.; Girisha, K. S.; Naveena, C. S.; Guru Row, T. N.","2,2,2-Trichloro-N-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2832","","10.1107/S1600536812036732","","","0.71073","MoKα","","0.0754","0.0491","","","0.1321","0.1443","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236548","8.31","0.0017","17.018","0.003","7.316","0.0015","90","","90","","90","","1034.6","0.4","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2,3,6-Trichloro-5-(trichloromethyl)pyridine","","- C6 H Cl6 N -","- C6 H Cl6 N -","- C24 H4 Cl24 N4 -","4","0.5","PV2577","Zhu, Xue-mei; Pei, Li-jun; Cai, Zhao-sheng; Song, Zhan-qian; Shang, Shi-bin","2,3,6-Trichloro-5-(trichloromethyl)pyridine","Acta Crystallographica Section E","2012","68","9","o2723","","10.1107/S1600536812035404","","","0.71073","MoKα","","0.0558","0.0398","","","0.1107","0.1234","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236549","8.2772","0.0004","9.0572","0.0004","12.6868","0.0006","87.132","0.004","70.976","0.003","75.098","0.002","868.32","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-ylidene]-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazine","","- C16 H13 Br N4 O4 S -","- C16 H13 Br N4 O4 S -","- C32 H26 Br2 N8 O8 S2 -","2","1","PV2578","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah","6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-ylidene]-2,2-dioxo-3,4-dihydro-1H-2λ^6^,1-benzothiazine","Acta Crystallographica Section E","2012","68","9","o2717","","10.1107/S1600536812035374","","","0.71073","MoKα","","0.1013","0.0435","","","0.0878","0.1064","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236550","8.8547","0.0017","10.927","0.002","12.033","0.002","112.702","0.004","100.614","0.004","90.052","0.004","1052.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl methanesulfonate","","- C7 H11 N3 O5 S -","- C7 H11 N3 O5 S -","- C28 H44 N12 O20 S4 -","4","2","PV2579","Yousuf, Sammer; Zeb, Aurang; Batool, Farhana; Basha, Fatima Z.","2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl methanesulfonate","Acta Crystallographica Section E","2012","68","9","o2781","","10.1107/S1600536812034964","","","0.71073","MoKα","","0.0695","0.0558","","","0.1404","0.1519","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236551","13.8627","0.0016","11.3622","0.0009","13.8957","0.0015","90","","108.885","0.013","90","","2070.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(2,6-DMPH)2.IBr2.Br","Bis(2,6-dimethylpyridinium) dibromoiodate bromide","","- C14 H20 Br3 I N2 -","- C14 H20 Br3 I N2 -","- C56 H80 Br12 I4 N8 -","4","0.5","PV2580","Al-Far, Rawhi; Ali, Basem F.; Haddad, Salim F.","Bis(2,6-dimethylpyridinium) dibromoiodate bromide","Acta Crystallographica Section E","2012","68","9","o2743","","10.1107/S1600536812035702","","","0.71073","MoKα","","0.0656","0.04","","","0.0897","0.1041","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236552","8.3648","0.0013","8.4233","0.0016","9.2321","0.0016","105.107","0.016","115.371","0.016","98.241","0.015","542.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(2-A-5-MepyrH).IBr2","2-Amino-5-methylpyridinium dibromoiodate","","- C6 H9 Br2 I N2 -","- C6 H9 Br2 I N2 -","- C12 H18 Br4 I2 N4 -","2","1","PV2581","Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi","2-Amino-5-methylpyridinium dibromoiodate","Acta Crystallographica Section E","2012","68","9","o2786","","10.1107/S1600536812036136","","","0.71073","MoKα","","0.0626","0.0404","","","0.0829","0.0957","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236553","8.1215","0.0008","11.4853","0.0012","13.0407","0.0014","90","","97.206","0.002","90","","1206.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2-aminopyrimidin-1-ium) sulfate","","- C8 H12 N6 O4 S -","- C8 H12 N6 O4 S -","- C32 H48 N24 O16 S4 -","4","1","PV2583","Hu, Hui-Ling; Yeh, Chun-Wei","Bis(2-aminopyrimidin-1-ium) sulfate","Acta Crystallographica Section E","2012","68","10","o2925","","10.1107/S1600536812037725","","","0.71073","MoKα","","0.0412","0.0323","","","0.0878","0.0933","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236554","10.0861","0.0004","7.7954","0.0003","23.4088","0.001","90","","95","0.003","90","","1833.52","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H- thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","PV2584","Nagarajaiah, H.; Begum, Noor Shahina","Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2012","68","10","o2878","","10.1107/S1600536812037828","","","0.71073","MoKα","","0.0606","0.043","","","0.1096","0.1181","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236555","9.6771","0.0002","7.6364","0.0002","13.8156","0.0003","90","","100.221","0.002","90","","1004.75","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","PV2585","Khan, Ashraf Y.; Fathima, Nikhath; Kalashetti, Mallikarjun B.; Begum, Noor Shahina; Khazi, I. M.","2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","10","o3025","","10.1107/S160053681204010X","","","0.71073","MoKα","","0.0476","0.0393","","","0.113","0.118","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236556","9.5439","0.0002","10.091","0.0002","13.1802","0.0003","104.4","0.0012","101.538","0.001","105.018","0.0011","1139.04","0.04","190","2","190","2","","","","","","","","6","P -1","-P 1","2","tianeptine hydrochloride","7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin- 11-yl)amino]heptanoic acid S,S-dioxide hydrochloride","","- C21 H26 Cl2 N2 O4 S -","- C21 H26 Cl2 N2 O4 S -","- C42 H52 Cl4 N4 O8 S2 -","2","1","PV2586","Mishnev, Anatoly; Zvirgzdins, Alvis; Actins, Andris; Delina, Mara","7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide hydrochloride","Acta Crystallographica Section E","2012","68","11","o3136","","10.1107/S1600536812042432","","","0.71073","MoKα","","0.0551","0.0401","","","0.0921","0.1002","","","","","","1.028","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2236557","11.9166","0.0002","9.0982","0.0001","12.8539","0.0001","90","","101.013","0.001","90","","1367.95","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diisopropylammonium hydrogen phenylphosphonate","","- C12 H22 N O3 P -","- C12 H22 N O3 P -","- C48 H88 N4 O12 P4 -","4","1","PV2589","Sarr, Modou; Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","Diisopropylammonium hydrogen phenylphosphonate","Acta Crystallographica Section E","2012","68","11","o3078","","10.1107/S1600536812041086","","","0.71073","MoKα","","0.0328","0.0292","","","0.0779","0.08","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236558","11.4923","0.0009","9.8362","0.0008","12.7781","0.001","90","","103.87","0.005","90","","1402.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-nitrophenol‒4-dimethylaminopyridine (1/1)","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","PV2590","Muralidharan, Srinivasan; Nagapandiselvi, Perumal; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","3-Methyl-4-nitrophenol‒4-dimethylaminopyridine (1/1)","Acta Crystallographica Section E","2012","68","11","o3106","","10.1107/S1600536812041670","","","0.71073","MoKα","","0.0776","0.0556","","","0.1595","0.1846","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236559","12.1626","0.0004","16.2747","0.0006","12.196","0.0004","90","","107.704","0.002","90","","2299.78","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1H,4'H- spiro[acridine-2,5'-isoxazol]-1-one","","- C28 H21 Cl N2 O3 -","- C28 H21 Cl N2 O3 -","- C112 H84 Cl4 N8 O12 -","4","1","PV2592","Narayanan, Ponmudisettu; Maheswari, Shanmugavel Uma; Sethusankar, Krishnan","4'-(4-Chlorophenyl)-3'-(4-methoxyphenyl)-3,4-dihydro-1H,4'H-spiro[acridine-2,5'-isoxazol]-1-one","Acta Crystallographica Section E","2012","68","11","o3177","","10.1107/S1600536812042523","","","0.71073","MoKα","","0.0516","0.0367","","","0.0955","0.1075","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236560","7.3627","0.0008","9.031","0.0008","9.1854","0.0009","101.741","0.008","110.778","0.01","96.321","0.008","547.89","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","(Collidinium)2 ZnBr4","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","1","1","PV2593","Ali, Basem F.; Haddad, Salim F.; Al-Far, Rawhi","Bis(2,4,6-trimethylpyridinium) tetrabromidozincate","Acta Crystallographica Section E","2012","68","11","m1320","","10.1107/S1600536812040925","","","0.71073","MoKα","","0.0615","0.0536","","","0.1317","0.1402","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236561","12.4815","0.0004","4.7207","0.0001","15.478","0.0005","90","","103.468","0.003","90","","886.91","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(Benzotriazol-1-yl)-2-bromoethanone","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","1","PV2595","Asiri, Abdullah M.; Abo-Dya, Nader E.; Arshad, Muhammad Nadeem; Shafiq, Muhammad","1-(Benzotriazol-1-yl)-2-bromoethanone","Acta Crystallographica Section E","2012","68","11","o3179","","10.1107/S1600536812042900","","","1.54184","CuKα","","0.053","0.0443","","","0.1294","0.1406","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236562","10.5075","0.0004","12.6951","0.0004","15.1551","0.0007","90","","102.821","0.003","90","","1971.19","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromidobis[3-(1H-pyrazol-1-yl-κN^2^)propionamide- κO]copper(II) bromide methanol monosolvate","","- C13 H22 Br2 Cu N6 O3 -","- C13 H22 Br2 Cu N6 O3 -","- C52 H88 Br8 Cu4 N24 O12 -","4","1","QK2039","Wagner, Thomas; Hrib, Cristian G.; Lorenz, Volker; Edelmann, Frank T.; Gilje, John W.","Bromidobis[3-(1H-pyrazol-1-yl-κN^2^)propionamide-κO]copper(II) bromide methanol monosolvate","Acta Crystallographica Section E","2012","68","10","m1253","m1254","10.1107/S1600536812038111","","","0.71073","MoKα","","0.0494","0.0411","","","0.0765","0.079","","","","","","1.208","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236563","7.3012","0.0002","12.9843","0.0003","18.4254","0.0004","95.051","0.002","96.284","0.002","92.338","0.002","1727.26","0.07","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","(±)-(4bS,8aR,10aS)-10a-Ethynyl-4b,8,8-trimethyl-3,7- dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","2","QK2041","Zheng, Suqing; Resch, Daniel; Honda, Tadashi; Jasinski, Jerry P.","(±)-(4bS,8aR,10aS)-10a-Ethynyl-4b,8,8-trimethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile","Acta Crystallographica Section E","2012","68","11","o3095","o3096","10.1107/S1600536812041244","","","1.54178","CuKα","","0.0634","0.0498","","","0.1291","0.1403","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236564","6.8697","0.0005","3.9809","0.0002","20.5002","0.0011","90","","93.813","0.002","90","","559.39","0.06","223","","223","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C28 H16 Br4 -","2","1","QK2043","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","3,6-Dibromophenanthrene","Acta Crystallographica Section E","2012","68","11","o3100","","10.1107/S1600536812041621","","","0.71073","MoKα","","0.0216","0.0181","","","0.0353","0.0368","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236565","7.786","0.005","7.511","0.005","23.365","0.005","90","","95.362","0.005","90","","1360.4","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-Methylbenzoyl)ethyl]propan-2-aminium chloride","","- C13 H20 Cl N O -","- C13 H20 Cl N O -","- C52 H80 Cl4 N4 O4 -","4","1","QM2078","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","N-[2-(4-Methylbenzoyl)ethyl]propan-2-aminium chloride","Acta Crystallographica Section E","2012","68","9","o2706","o2707","10.1107/S1600536812035271","","","0.71073","MoKα","","0.0696","0.0485","","","0.1331","0.1506","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236566","8.036","0.005","8.656","0.005","18.403","0.005","90","","97.174","0.005","90","","1270.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Benzoylethyl)propan-2-aminium chloride","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C48 H72 Cl4 N4 O4 -","4","1","QM2079","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Mete, Ebru; Sahin, Ertan","N-(2-Benzoylethyl)propan-2-aminium chloride","Acta Crystallographica Section E","2012","68","9","o2702","o2703","10.1107/S1600536812035106","","","0.71073","MoKα","","0.139","0.0745","","","0.1871","0.2243","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236567","7.239","0.003","11.185","0.003","9.786","0.004","90","","124.27","0.02","90","","654.8","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-aqua-μ~6~-(1,1-dioxo-1λ^6^,2,5-thiadiazolidine-3,4-diolato)- dilithium]","","- C2 H4 Li2 N2 O6 S -","- C2 H4 Li2 N2 O6 S -","- C8 H16 Li8 N8 O24 S4 -","4","1","QM2080","McOwen, Dennis W.; Delp, Samuel A.; Boyle, Paul D.; Henderson, Wesley A.","Dilithium 1,2,5-thiadiazolidine-3,4-dione 1,1-dioxide dihydrate","Acta Crystallographica Section E","2012","68","9","m1228","","10.1107/S1600536812036379","","","0.71073","MoKα","","0.0252","0.0222","","","0.0637","0.0653","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236568","9.324","0.001","9.454","0.0011","11.384","0.0013","109.56","0.002","104.089","0.001","105.627","0.001","846.86","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Bipyridine‒3,3'-disulfanediylbis(1H-1,2,4-triazole-5-amine) (1/1)","","- C14 H14 N10 S2 -","- C14 H14 N10 S2 -","- C28 H28 N20 S4 -","2","1","QM2081","Yang, Wei; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","4,4'-Bipyridine‒3,3'-disulfanediylbis(1H-1,2,4-triazole-5-amine) (1/1)","Acta Crystallographica Section E","2012","68","11","o3194","","10.1107/S1600536812042742","","","0.71073","MoKα","","0.0656","0.0427","","","0.0916","0.1059","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236569","8.4556","0.0012","8.4556","0.0012","46.991","0.009","90","","90","","90","","3359.7","0.9","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1- phenylene)]bis(methanylylidene)}dimalononitrile","","- C44 H30 N4 O2 -","- C44 H30 N4 O2 -","- C176 H120 N16 O8 -","4","0.5","QM2082","Chen, Shikun","2,2'-{[(2,2'-Diethoxy-1,1'-binaphthalene-6,6'-diyl)bis(4,1-phenylene)]bis(methanylylidene)}dimalononitrile","Acta Crystallographica Section E","2012","68","10","o2852","","10.1107/S1600536812037282","","","0.71073","MoKα","","0.0464","0.0433","","","0.093","0.0948","","","","","","1.154","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236570","10.055","0.003","9.601","0.002","21.946","0.005","90","","91.96","0.004","90","","2117.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorobenzoyl)-1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-1-ium trifluoroacetate","","- C21 H20 F4 N2 O5 -","- C21 H20 F4 N2 O5 -","- C84 H80 F16 N8 O20 -","4","1","QM2083","Bian, Fuyong; Jin, Yi; Chi, Shaoming; Shi, Guojun; Xu, Sichuan","4-(2-Fluorobenzoyl)-1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-1-ium trifluoroacetate","Acta Crystallographica Section E","2012","68","11","o3243","","10.1107/S1600536812042857","","","0.71073","MoKα","","0.1508","0.0725","","","0.1798","0.2402","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236571","22.084","0.004","8.0773","0.0016","10.814","0.002","90","","94.08","0.03","90","","1924.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-\ carboxylato)tetralithium] dichloride]","","- C10 H16 Cl2 Li4 N4 O9 -","- C10 H16 Cl2 Li4 N4 O9 -","- C40 H64 Cl8 Li16 N16 O36 -","4","0.5","QM2084","Starosta, Wojciech; Leciejewicz, Janusz","catena-Poly[[tetraaqua-μ-aqua-bis(μ~4~-pyrimidine-2-carboxylato)tetralithium] dichloride]","Acta Crystallographica Section E","2012","68","11","m1369","m1370","10.1107/S1600536812041955","","","0.71073","MoKα","","0.0873","0.0435","","","0.1254","0.1467","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236572","11.3029","0.0007","9.3142","0.0005","9.9983","0.0006","90","","99.82","0.006","90","","1037.17","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium chloride monohydrate","","- C8 H13 Cl N2 O2 -","- C8 H13 Cl N2 O2 -","- C32 H52 Cl4 N8 O8 -","4","1","QM2085","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium chloride monohydrate","Acta Crystallographica Section E","2012","68","11","o3083","","10.1107/S1600536812041219","","","0.71069","MoKα","","0.0771","0.0429","","","0.1029","0.1134","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236573","27.8848","0.0007","6.2415","0.0002","12.8212","0.0003","90","","107.351","0.001","90","","2129.9","0.1","193","2","193","2","","","","","","","","3","C 1 2 1","C 2y","5","Salvinorin B methoxymethyl ether","Methyl (2S,4aR,6aR,7R,9S,10aS,10bR)- 2-(3-furyl)-9-methoxymethoxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a- octahydro-1H-benzo[f]isochromene-7-carboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","QM2086","Munro, Thomas A.; Ho, Douglas M.; Cohen, Bruce M.","Salvinorin B methoxymethyl ether","Acta Crystallographica Section E","2012","68","11","o3225","o3226","10.1107/S1600536812043449","","","0.71073","MoKα","","0.0496","0.04","","","0.1024","0.1081","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236574","7.3588","0.0008","11.8463","0.0013","11.9942","0.0013","90","","99.184","0.001","90","","1032.19","0.19","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[hexaaqua(μ~3~-2,2'-bipyridine-4,4',6,6'-tetracarboxylato- κ^6^O^4^:N,O^6^,O^6'^,N':O^4'^) dinickel(II)] dihydrate]","","- C14 H20 N2 Ni2 O16 -","- C14 H20 N2 Ni2 O16 -","- C28 H40 N4 Ni4 O32 -","2","0.5","RK2355","Li, Jie; Lei, Ke-Wei; Xia, Dong-Guo","Poly[[hexaaqua(μ~3~-2,2'-bipyridine-4,4',6,6'-tetracarboxylato-κ^6^O^4^:N,O^6^,O^6'^,N':O^4'^)dinickel(II)] dihydrate]","Acta Crystallographica Section E","2012","68","11","m1421","","10.1107/S1600536812043942","","","0.71073","MoKα","","0.0242","0.023","","","0.0608","0.0615","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236575","14.5872","0.0006","6.9193","0.0003","8.6129","0.0004","90","","100.086","0.004","90","","855.89","0.07","268","","268","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 F4 N O3 -","- C8 H3 F4 N O3 -","- C32 H12 F16 N4 O12 -","4","1","RK2367","Lu, Tao; Liao, Xiao-Jian; Liang, Yuan-Wei; Xu, Shi-Hai","2-Carbamoyl-3,4,5,6-tetrafluorobenzoic acid","Acta Crystallographica Section E","2012","68","10","o2864","","10.1107/S1600536812036549","","","1.5418","CuKα","","0.0373","0.035","","","0.0901","0.0913","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236576","15.721","0.004","12.617","0.004","14.728","0.003","90","","99.13","0.03","90","","2884.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichloridobis{1-[(2-methylbenzimidazol-1-yl- κN^3^)methyl]benzotriazole}zinc","","- C30 H26 Cl2 N10 Zn -","- C30 H26 Cl2 N10 Zn -","- C120 H104 Cl8 N40 Zn4 -","4","0.5","RK2368","Song, Lianqing; Zhao, Meihong; Cui, Guoshi; Gao, Jianghua; Lin, Lin","Dichloridobis{1-[(2-methylbenzimidazol-1-yl-κN^3^)methyl]benzotriazole}zinc","Acta Crystallographica Section E","2012","68","9","m1179","","10.1107/S160053681203526X","","","0.71073","MoKα","","0.0608","0.0504","","","0.1293","0.1373","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236577","8.4158","0.0007","16.1889","0.0013","21.7213","0.0018","90","","90","","90","","2959.4","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1- bis(diethylamino)ethylium bis(perchlorate)","","- C20 H42 Cl2 N4 O8 S2 -","- C20 H42 Cl2 N4 O8 S2 -","- C80 H168 Cl8 N16 O32 S8 -","4","1","RK2371","Ohno, Keiji; Sugaya, Tomoaki; Fujihara, Takashi; Nagasawa, Akira","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1-bis(diethylamino)ethylium bis(perchlorate)","Acta Crystallographica Section E","2012","68","9","o2753","o2754","10.1107/S1600536812035453","","","0.71073","MoKα","","0.0723","0.0551","","","0.1298","0.1398","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236578","3.8422","0.0003","8.5166","0.0007","21.6507","0.0018","97.074","0.001","91.991","0.001","97.068","0.001","696.83","0.1","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-hydroxybenzonitrile","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C28 H16 Br4 N4 O4 -","4","2","RK2372","Oh, Scott; Tanski, Joseph M.","5-Bromo-2-hydroxybenzonitrile","Acta Crystallographica Section E","2012","68","9","o2617","","10.1107/S1600536812031716","","","0.71073","MoKα","","0.0618","0.0425","","","0.0931","0.1","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236579","4.993","0.0004","4.993","0.0004","16.445","0.002","90","","90","","90","","409.97","0.07","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","4-Cyanoanilinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C14 H14 I2 N4 -","2","0.125","RK2373","Mague, Joel T.; Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.","4-Cyanoanilinium iodide","Acta Crystallographica Section E","2012","68","9","o2623","","10.1107/S1600536812033466","","","0.71073","MoKα","","0.0115","0.0115","","","0.0292","0.0292","","","","","","1.143","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2236580","7.2313","0.0001","16.2545","0.0001","20.2466","0.0002","90","","90","","90","","2379.81","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(2‒bromobenzyl)cinchoninium bromide","1-(2-Bromobenzyl)-5-ethenyl-2-[hydroxy(quinolin-4-yl)methyl]- 1-azabicyclo[2.2.2]octan-1-ium bromide","","- C26 H28 Br2 N2 O -","- C26 H28 Br2 N2 O -","- C104 H112 Br8 N8 O4 -","4","1","RK2374","Skórska-Stania, Agnieszka; Jezierska-Zieba, Magdalena; Kakol, Barbara; Fedoryński, Michał; Oleksyn, Barbara J.","N-(2-Bromobenzyl)cinchoninium bromide","Acta Crystallographica Section E","2012","68","9","o2803","o2804","10.1107/S160053681203646X","","","0.71073","MoKα","","0.0407","0.0335","","","","0.071","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236581","6.4737","0.0004","6.4737","0.0004","62.438","0.008","90","","90","","90","","2616.7","0.4","133","2","133","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","6,8-Dihydroxy-8a-methyl-3,5- dimethylidenedecahydronaphtho[2,3-b]furan-2(3H)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","RK2376","Liu, Ting-ting; Wu, Hai-Bo; Wang, Wen-Shu","6,8-Dihydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-b]furan-2(3H)-one","Acta Crystallographica Section E","2012","68","11","o3251","","10.1107/S160053681204425X","","","0.71073","MoKα","","0.0537","0.047","","","0.1197","0.1242","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236582","8.2787","0.0005","11.2017","0.0007","14.6435","0.0008","90","","91.116","0.005","90","","1357.71","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylphenyl)-2-nitrobenzenesulfonamide","","- C13 H12 N2 O4 S -","- C13 H12 N2 O4 S -","- C52 H48 N8 O16 S4 -","4","1","RK2377","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(4-Methylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2745","","10.1107/S1600536812035866","","","0.71073","MoKα","","0.0471","0.0383","","","0.1019","0.1083","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236583","8.2236","0.0014","11.3306","0.0019","11.913","0.002","95.984","0.003","93.202","0.003","109.274","0.003","1037.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N-[1-(1H-Pyrrol-2-yl)ethylidene]aniline","","- C12 H12 N2 -","- C12 H12 N2 -","- C48 H48 N8 -","4","2","RK2378","Su, Bi-Yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan","N-[1-(1H-Pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2888","","10.1107/S1600536812037695","","","0.71073","MoKα","","0.0701","0.0482","","","0.126","0.1416","","","","","","1.103","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236584","14.6498","0.0009","10.3976","0.0008","6.9067","0.0005","90","","100.089","0.003","90","","1035.78","0.13","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Carboxypyridinium maleate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","RK2380","Pandi, P.; Peramaiyan, G.; Akilan, R.; Chakkaravarthi, G.; Mohankumar, R.","2-Carboxypyridinium maleate","Acta Crystallographica Section E","2012","68","11","o3081","","10.1107/S1600536812041177","","","0.71073","MoKα","","0.0818","0.071","","","0.1922","0.1993","","","","","","1.1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236585","7.7141","0.0002","8.1619","0.0002","13.4046","0.0004","74.277","0.002","86.41","0.002","89.044","0.002","810.8","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","7-Bromo-1-(3-fluorophenylsulfonyl)-2-methylnaphtho[2,1-b]furan","","- C19 H12 Br F O3 S -","- C19 H12 Br F O3 S -","- C38 H24 Br2 F2 O6 S2 -","2","1","RK2381","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","7-Bromo-1-(3-fluorophenylsulfonyl)-2-methylnaphtho[2,1-b]furan","Acta Crystallographica Section E","2012","68","10","o3047","","10.1107/S1600536812040470","","","0.71073","MoKα","","0.0371","0.0297","","","0.0716","0.0748","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236586","7.9389","0.0002","13.146","0.0004","22.7952","0.0007","90","","90","","90","","2379.02","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7H-[1,2]Benzothiazolo[3,2-b]quinazoline 5,5-dioxide","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","1","RK2382","Narayanan, Ponmudisettu; Karthikeyan, Subramani; Srinivasan, Panayancheri Coleppa; Sethusankar, Krishnan","7H-[1,2]Benzothiazolo[3,2-b]quinazoline 5,5-dioxide","Acta Crystallographica Section E","2012","68","11","o3082","","10.1107/S1600536812040871","","","0.71073","MoKα","","0.0408","0.0336","","","0.1111","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236587","27.645","0.006","8.1613","0.0015","16.741","0.003","90","","116.037","0.005","90","","3393.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Methyl-1,2,3,4,5,6,1',2',3',4'-decahydrospiro[benz[f]isoquinoline- 1,2'-naphthalen]-1'-one","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","RK2383","Siaka, Sohro; Soldatenkov, Anatoly T.; Malkova, Anastasia V.; Sorokina, Elena A.; Khrustalev, Victor N.","3-Methyl-1,2,3,4,5,6,1',2',3',4'-decahydrospiro[benz[f]isoquinoline-1,2'-naphthalen]-1'-one","Acta Crystallographica Section E","2012","68","11","o3230","","10.1107/S1600536812043309","","","0.71073","MoKα","","0.0656","0.0451","","","0.109","0.1218","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236588","10.881","0.005","10.948","0.004","12.496","0.005","103.824","0.007","109.725","0.007","93.377","0.007","1344.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Anilino-3-benzylsulfanyl-6-(3-chloroanilino)-1-phenyl-1H- pyrazolo[3,4-d]pyrimidin-4(5H)-one","","- C30 H23 Cl N6 O S -","- C30 H23 Cl N6 O S -","- C60 H46 Cl2 N12 O2 S2 -","2","1","RN2104","Wang, Hong-Qing; He, Fang-Fang; Wang, Xiao-Feng; Zhou, Wei-Ping; Liu, Zhao-Jie","5-Anilino-3-benzylsulfanyl-6-(3-chloroanilino)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one","Acta Crystallographica Section E","2012","68","10","o2895","","10.1107/S1600536812037683","","","0.71073","MoKα","","0.0886","0.0461","","","0.0976","0.1144","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236589","18.493","0.004","13.815","0.003","5.06","0.001","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Chloro-N-[1-(4-chlorophenyl)-3-cyano-1H-pyrazol-5-yl]acetamide","","- C12 H8 Cl2 N4 O -","- C12 H8 Cl2 N4 O -","- C48 H32 Cl8 N16 O4 -","4","1","RN2106","Mu, Hai-ping; Yang, Yang; Jiang, Qiang-hua; Fu, Xiao-dong; Wan, Rong","2-Chloro-N-[1-(4-chlorophenyl)-3-cyano-1H-pyrazol-5-yl]acetamide","Acta Crystallographica Section E","2012","68","11","o3249","","10.1107/S1600536812043966","","","0.71073","MoKα","","0.0461","0.0371","","","0.0938","0.0991","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236590","9.951","0.002","13.197","0.003","13.7","0.003","73.03","0.03","75.27","0.03","73.39","0.03","1620.1","0.7","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Ni(II)(Di-iBu-Por)","[5,15-Bis(2-methylpropylporphyrinato]nickel(II)","","- C28 H28 N4 Ni -","- C28 H28 N4 Ni -","- C84 H84 N12 Ni3 -","3","1.5","RN2107","Senge, Mathias O.","[5,15-Bis(2-methylpropyl)porphyrinato]nickel(II)","Acta Crystallographica Section E","2012","68","9","m1191","m1192","10.1107/S1600536812035726","","","0.71073","MoKα","","0.0464","0.0331","","","0.0887","0.096","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236591","8.8056","0.0002","15.0259","0.0003","14.7516","0.0003","90","","95.442","0.0017","90","","1943.02","0.07","120","0.14","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[μ-N,N'-Bis(2-aminoethyl)ethane-1,2-diamine- κ^4^N^1^,N^1'^:N^2^,N^2'^]bis{[N,N'- bis(2-aminoethyl)ethane-1,2-diamine- κ^4^N,N',N'',N''']cadmium} tetrakis(perchlorate)","","- C18 H54 Cd2 Cl4 N12 O16 -","- C18 H54 Cd2 Cl4 N12 O16 -","- C36 H108 Cd4 Cl8 N24 O32 -","2","0.5","RU2040","Goudarziafshar, Hamid; Abbasityula, Yunes; Eigner, Václav; Dušek, Michal","[μ-N,N'-Bis(2-aminoethyl)ethane-1,2-diamine-κ^4^N^1^,N^1'^:N^2^,N^2'^]bis{[N,N'-bis(2-aminoethyl)ethane-1,2-diamine-κ^4^N,N',N'',N''']cadmium} tetrakis(perchlorate)","Acta Crystallographica Section E","2012","68","9","m1153","m1154","10.1107/S1600536812033880","","","0.7107","MoKα","","0.035","0.0301","","","0.1027","0.1057","","","","","","2.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236592","8.9263","0.0008","3.4673","0.0003","13.2596","0.0015","90","","90","","90","","410.39","0.07","290","1","290","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Titanium(II) thiogermanate(IV)","","- Ge S3 Ti -","- Ge S3 Ti -","- Ge4 S12 Ti4 -","4","0.5","RU2041","Kim, Pilsoo; Yun, Hoseop","TiGeS~3~","Acta Crystallographica Section E","2012","68","10","i72","","10.1107/S1600536812037087","","","0.71073","MoKα","","0.0332","0.0322","","","","0.0762","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236593","12.0347","0.0016","14.0597","0.0018","14.3547","0.0018","113.199","0.003","91.182","0.003","113.336","0.003","2004.4","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ^2^O:O')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl- 2'-carboxylato-κO)(pyridine-κN)cobalt(II)] diethyl ether disolvate","","- C94 H78 Co2 F8 N2 O12 -","- C94 H78 Co2 F8 N2 O12 -","- C94 H78 Co2 F8 N2 O12 -","1","0.5","RU2042","Kim, Namseok; Yoon, Yeahsel; Lee, Ha-Jin; Yoon, Sungho","Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ^2^O:O')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κO)(pyridine-κN)cobalt(II)] diethyl ether disolvate","Acta Crystallographica Section E","2012","68","10","m1264","m1265","10.1107/S1600536812038391","","","0.71073","MoKα","","0.1592","0.0709","","","0.1529","0.2387","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236594","12.9417","0.0002","11.1054","0.0002","9.3981","0.0004","90","","92.566","0.001","90","","1349.37","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Ammonioethyl)piperazin-1,4-diium dihydrogenophosphate monohydrogenophosphate","","- C6 H21 N3 O8 P2 -","- C6 H21 N3 O8 P2 -","- C24 H84 N12 O32 P8 -","4","1","RU2043","Mrad, Mohamed Lahbib; Ferretti, Valeria; Rzaigui, Mohamed; Ben Nasr, Cherif","1-(2-Ammonioethyl)piperazin-1,4-diium dihydrogenophosphate monohydrogenophosphate","Acta Crystallographica Section E","2012","68","11","o3120","","10.1107/S160053681204189X","","","0.71073","MoKα","","0.0421","0.0377","","","0.0975","0.1014","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236595","9.1115","0.0001","12.4407","0.0002","13.4945","0.0002","62.945","0.001","85.382","0.001","89.339","0.001","1357.29","0.04","100","2","100","","","","","","","","","4","P -1","-P 1","2","","5-Amino-3-ethoxy-1,8,8-trimethyl-2-azabicyclo[2.2.2]octa-2,5-diene-4,6-dicarbonitrile","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","RZ2787","Chantrapromma, Suchada; Suwunwong, Thitipone; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun","5-Amino-3-ethoxy-1,8,8-trimethyl-2-azabicyclo[2.2.2]octa-2,5-diene-4,6-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2606","o2607","10.1107/S1600536812032990","","","0.71073","MoKα","","0.0627","0.0474","","","0.101","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236596","15.2433","0.0005","18.3109","0.0006","14.7468","0.0005","90","","95.708","0.006","90","","4095.7","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(9H-Fluoren-9-yl)-1,3-diphenylpropan-1-one","","- C28 H22 O -","- C28 H22 O -","- C224 H176 O8 -","8","1","RZ2788","Feng, Fu; Cui, Zhi-cai; Liu, Xin-ping; Hu, Wei-Bing","3-(9H-Fluoren-9-yl)-1,3-diphenylpropan-1-one","Acta Crystallographica Section E","2012","68","10","o2858","","10.1107/S1600536812032497","","","0.71073","MoKα","","0.0928","0.0755","","","0.1541","0.1621","","","","","","1.217","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236597","12.4106","0.0006","12.4974","0.0007","21.4941","0.0011","90","","97.319","0.003","90","","3306.6","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,7,8',11-Pentamethoxy-13H-spiro[dibenzo[a,g]fluorene- 13,1'(4'H)-naphthalen]-4'-one toluene monosolvate","","- C42 H36 O6 -","- C42 H36 O6 -","- C168 H144 O24 -","4","1","RZ2797","Takeuchi, Ryo; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","1,5,7,8',11-Pentamethoxy-13H-spiro[dibenzo[a,g]fluorene-13,1'(4'H)-naphthalen]-4'-one toluene monosolvate","Acta Crystallographica Section E","2012","68","10","o2919","","10.1107/S160053681203824X","","","1.54187","CuKα","","0.0731","0.0426","","","0.108","0.1243","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236598","6.6945","0.0007","7.1079","0.0007","10.3032","0.0011","71.593","0.002","84.962","0.002","69.843","0.002","436.57","0.08","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","6-Methyl-4-oxo-4H-chromene-3-carbaldehyde","","- C11 H8 O3 -","- C11 H8 O3 -","- C22 H16 O6 -","2","1","RZ2798","Yousuf, Sammer; Mukhtar, Asma; Ambreen, Nida; Saad, Syed Muhammad; Khan, Khalid M.","6-Methyl-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","10","o2920","","10.1107/S1600536812037555","","","0.71073","MoKα","","0.0607","0.0492","","","0.1376","0.1523","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236599","8.1238","0.0004","12.7963","0.0007","15.9191","0.0011","105.59","0.005","101.16","0.005","97.535","0.004","1534.19","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒N'-[(E)-4- methoxybenzylidene]pyridine-4-carbohydrazide (2/1)","","- C34 H27 N5 O10 -","- C34 H27 N5 O10 -","- C68 H54 N10 O20 -","2","1","RZ2799","Novaković, Sladjana B.; Bogdanović, Goran A.; Mohamed, Shaaban K.; Albayati, Mustafa R.; Hameed, Ayad S.","2-(1,3-Dioxoisoindolin-2-yl)acetic acid‒N'-[(E)-4-methoxybenzylidene]pyridine-4-carbohydrazide (2/1)","Acta Crystallographica Section E","2012","68","10","o2897","o2898","10.1107/S1600536812038032","","","1.54184","CuKα","","0.049","0.0402","","","0.1073","0.1155","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236600","8.1917","0.0007","11.6406","0.0007","13.4445","0.0008","103.006","0.005","104.387","0.006","96.426","0.006","1190.67","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(2E)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","2","RZ2800","Mohamed, Shaaban K.; Bogdanović, Goran A.; Abdelhamid, Antar A.; Novaković, Sladjana B.; Potgeiter, Herman","4-[(2E)-2-(2-Hydroxybenzylidene)hydrazin-1-yl]benzonitrile","Acta Crystallographica Section E","2012","68","10","o2886","o2887","10.1107/S1600536812037841","","","1.5418","CuKα","","0.0507","0.041","","","0.1136","0.1211","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236601","6.5138","0.0016","10.155","0.002","19.264","0.005","75.361","0.006","85.872","0.007","83.013","0.006","1222.6","0.5","100","1","100","","","","","","","","","3","P -1","-P 1","2","","(E)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]prop-2-en-1-one","","- C29 H40 O3 -","- C29 H40 O3 -","- C58 H80 O6 -","2","1","RZ5001","Fadzillah, Siti Muhaini Haris; Ngaini, Zainab; Hussain, Hasnain; Razak, Ibrahim Abdul; Asik, Safra Izuani Jama","(E)-1-(3-Hydroxyphenyl)-3-[4-(tetradecyloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2911","o2912","10.1107/S1600536812038020","","","0.71073","MoKα","","0.0714","0.0458","","","0.1257","0.1469","","","","","","0.947","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236602","7.4877","0.0004","27.2166","0.0015","6.1902","0.0003","90","","90","","90","","1261.5","0.11","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","","- C14 H10 Cl N O2 S -","- C14 H10 Cl N O2 S -","- C56 H40 Cl4 N4 O8 S4 -","4","1","RZ5002","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol","Acta Crystallographica Section E","2012","68","10","o2877","","10.1107/S1600536812037804","","","0.71073","MoKα","","0.0275","0.026","","","0.0678","0.069","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236603","8.9671","0.0006","10.5859","0.0007","14.7767","0.001","89.8","0.001","87.348","0.001","77.3","0.001","1366.86","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-phenylquinoline-4-carboxylato- κ^2^O:O')bis[(methanol-κO)copper(II)]","","- C66 H48 Cu2 N4 O10 -","- C66 H48 Cu2 N4 O10 -","- C66 H48 Cu2 N4 O10 -","1","0.5","RZ5004","Guo, Junfang; Yan, Guoping","Tetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^O:O')bis[(methanol-κO)copper(II)]","Acta Crystallographica Section E","2012","68","10","m1296","","10.1107/S1600536812039839","","","0.71069","MoKα","","0.0366","0.0334","","","0.0858","0.0881","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236604","4.0656","0.0006","7.7855","0.0011","12.242","0.0017","96.263","0.003","91.38","0.003","97.228","0.003","381.84","0.09","273","2","273","2","","","","","","","","6","P 1","P 1","1","","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","- C16 H14 Cl N O3 S -","1","1","RZ5005","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","10","o3057","","10.1107/S1600536812039372","","","0.71073","MoKα","","0.0369","0.034","","","0.0773","0.0797","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236605","7.671","0.004","13.174","0.007","13.807","0.007","90","","102.68","0.007","90","","1361.3","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,4-dimethylpyrido[1,2-a]benzimidazole-3-carboxylate","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","RZ5006","Zhu, Ai Guo; Ma, Zhuo Ming; Li, Lin Jie; Wei, Tian Tian; Ge, Yan Qing","Ethyl 2,4-dimethylpyrido[1,2-a]benzimidazole-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3032","","10.1107/S1600536812040299","","","0.71073","MoKα","","0.0523","0.0465","","","0.1273","0.1339","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236606","7.9384","0.0002","11.1512","0.0002","13.0325","0.0003","113.481","0.001","90.942","0.001","107.359","0.001","997.81","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","(2E)-2-{[3-Methyl-5-(2-naphthyloxy)-1-phenyl-1H- pyrazol-4-yl]methylidene}hydrazinecarbothioamide monohydrate","","- C22 H21 N5 O2 S -","- C22 H21 N5 O2 S -","- C44 H42 N10 O4 S2 -","2","1","RZ5007","Fun, Hoong-Kun; Chia, Tze Shyang; Shetty, Shobhitha; Kalluraya, Balakrishna; Nithinchandra","(2E)-2-{[3-Methyl-5-(2-naphthyloxy)-1-phenyl-1H-pyrazol-4-yl]methylidene}hydrazinecarbothioamide monohydrate","Acta Crystallographica Section E","2012","68","10","o3055","o3056","10.1107/S1600536812039815","","","0.71073","MoKα","","0.0625","0.0441","","","0.1122","0.1237","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236607","10.383","0.001","6.0303","0.0006","18.7366","0.0017","90","","95.591","0.004","90","","1167.57","0.19","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-tert-Butyl 5-methyl (2R,4S,5R)- 2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","","- C23 H26 N2 O8 -","- C23 H26 N2 O8 -","- C46 H52 N4 O16 -","2","1","RZ5008","Montiel-Smith, Sara; Bernès, Sylvain; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Dubois, Joëlle","3-tert-Butyl 5-methyl (2R,4S,5R)-2-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,3-oxazolidine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","11","o3146","o3147","10.1107/S160053681204192X","","","0.71073","MoKα","","0.0661","0.0386","","","0.0827","0.0953","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236608","18.0686","0.0004","18.1126","0.0004","14.8351","0.0003","90","","108.613","0.001","90","","4601.13","0.17","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-bipyrimidine-κ^2^N^1^,N^1'^)palladium(II) bis(tetrafluoroborate) acetonitrile monosolvate","","- C18 H15 B2 F8 N9 Pd -","- C18 H15 B2 F8 N9 Pd -","- C144 H120 B16 F64 N72 Pd8 -","8","1","RZ5009","Duong, Adam; Wuest, James D.; Maris, Thierry","Bis(2,2'-bipyrimidine-κ^2^N^1^,N^1'^)palladium(II) bis(tetrafluoroborate) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","m1347","m1348","10.1107/S1600536812041591","","","1.54178","CuKα","","0.0313","0.0302","","","0.0795","0.0805","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236609","12.5894","0.0017","7.3109","0.001","14.8425","0.0019","90","","113.118","0.002","90","","1256.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","RZ5010","Su, Bi-Yun; Qin, Wen-Long; Wang, Jia-Xiang","2,5-Dimethyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","11","o3088","","10.1107/S1600536812040858","","","0.71073","MoKα","","0.0572","0.045","","","0.1415","0.1556","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236610","9.588","0.002","12.333","0.003","12.393","0.003","74.961","0.019","70.051","0.018","69.293","0.019","1272.4","0.5","150","2","150","","","","","","","","","5","P -1","-P 1","2","","[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate","","- C28 H26 Br2 N P -","- C28 H26 Br2 N P -","- C56 H52 Br4 N2 P2 -","2","1","RZ5012","Burke, Benjamin P.; Greenman, Peter; Smith, Adam M.; Archibald, Stephen J.","[4-(Bromomethyl)benzyl]triphenylphosphonium bromide acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","11","o3202","","10.1107/S1600536812042341","","","0.71073","MoKα","","0.0647","0.0291","","","","0.0514","","","","","","0.681","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236611","18.263","0.0015","9.0963","0.0008","7.3025","0.0006","90","","114.499","0.002","90","","1103.91","0.16","223","","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","RZ5013","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","9,10-Dibromophenanthrene","Acta Crystallographica Section E","2012","68","11","o3174","","10.1107/S1600536812042353","","","0.71073","MoKα","","0.0496","0.0333","","","0.0755","0.1162","","","","","","1.254","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236612","6.4315","0.0013","7.3879","0.0015","8.621","0.0017","105.69","0.03","107.94","0.03","96.19","0.03","366.93","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[[bis(N,N-dimethylformamide- κO)cobalt(II)]-di-μ-1,5-dicyanamido-κ^4^N^1^:N^5^]","","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","- C10 H14 Co N8 O2 -","1","0.5","RZ5015","Meng, S. C.","A triclinic polymorph of catena-poly[[bis(N,N-dimethylformamide-κO)cobalt(II)]-di-μ-1,5-dicyanamido-κ^4^N^1^:N^5^]","Acta Crystallographica Section E","2012","68","11","m1404","","10.1107/S1600536812043310","","","0.71073","MoKα","","0.0275","0.0254","","","0.0607","0.0614","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236613","21.7517","0.0001","21.7517","0.0001","7.6269","0.0001","90","","90","","120","","3125.11","0.05","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(μ~3~-1-methylthiourea- κ^3^S:S:S)hexakis[iodidocopper(I)]","","- C12 H36 Cu6 I6 N12 S6 -","- C12 H36 Cu6 I6 N12 S6 -","- C36 H108 Cu18 I18 N36 S18 -","3","0.166667","RZ5016","Ahmad, Saeed; Mufakkar, Muhammad; Khan, Islam Ullah; Fun, Hoong-Kun; Waheed, Abdul","Hexakis(μ~3~-1-methylthiourea-κ^3^S:S:S)hexakis[iodidocopper(I)]","Acta Crystallographica Section E","2012","68","11","m1405","m1406","10.1107/S1600536812043437","","","0.71073","MoKα","","0.0362","0.0273","","","0.0567","0.0605","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236614","22.3058","0.0004","14.6047","0.0003","16.8302","0.0003","90","","90","","90","","5482.77","0.18","193","2","193","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","","- C36 H22 F2 O4 -","- C36 H22 F2 O4 -","- C288 H176 F16 O32 -","8","1","RZ5018","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Fluorophenyl)[8-(4-fluorobenzoyl)-2,7-diphenoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2012","68","11","o3246","","10.1107/S160053681204408X","","","1.54187","CuKα","","0.0361","0.0345","","","0.0896","0.0908","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236615","14.2608","0.0014","10.1844","0.0009","7.5723","0.0009","90","","94.206","0.01","90","","1096.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium hydrogen sulfate","","- C8 H12 N2 O5 S -","- C8 H12 N2 O5 S -","- C32 H48 N8 O20 S4 -","4","1","RZ5020","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","11","o3244","","10.1107/S1600536812044327","","","0.71069","MoKα","","0.0511","0.0388","","","0.1038","0.1138","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236616","7.0107","0.0014","8.8968","0.0018","19.52","0.004","90","","95.9","0.03","90","","1211.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methylthioperimidiniumiodide","2-Methylsulfanyl-1H-perimidin-3-ium iodide","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","SJ5260","Ghorbani, Mohammad Hassan","2-Methylsulfanyl-1H-perimidin-3-ium iodide","Acta Crystallographica Section E","2012","68","9","o2605","","10.1107/S1600536812033697","","","0.71073","MoKα","","0.0837","0.0444","","","0.0859","0.0936","","","","","","1.109","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236617","10.0414","0.0006","18.3997","0.0011","15.5456","0.0007","90","","128.559","0.002","90","","2246","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-{[1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8- (trifluoromethyl)quinoline-3-carboxylate","","- C23 H17 Cl2 F3 N4 O3 -","- C23 H17 Cl2 F3 N4 O3 -","- C92 H68 Cl8 F12 N16 O12 -","4","1","SJ5262","Fun, Hoong-Kun; Ooi, Chin Wei; Garudachari, B.; Isloor, Arun M.; Rashid, Suraya A.","Ethyl 4-{[1-(2,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}-8-(trifluoromethyl)quinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3017","o3018","10.1107/S1600536812039633","","","0.71073","MoKα","","0.0463","0.035","","","0.0943","0.1016","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236618","9.5952","0.0002","9.7018","0.0002","16.2065","0.0003","90","","99.4807","0.0017","90","","1488.07","0.05","119.9","0.6","119.9","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C17 H18 F2 N2 O2 -","- C17 H18 F2 N2 O2 -","- C68 H72 F8 N8 O8 -","4","1","SJ5264","Rivera, Augusto; Nerio, Luz Stella; Ríos-Motta, Jaime; Kučeráková, Monika; Dušek, Michal","4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2012","68","10","o3043","o3044","10.1107/S1600536812040329","","","1.5418","CuKα","","0.0336","0.0312","","","0.1061","0.1078","","","","","","2.21","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236619","7.401","0.005","16.589","0.005","11.762","0.004","90","","111.53","0.03","90","","1343.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(1H-benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","SJ5265","Kuai, Hai-Wei","A monoclinic polymorph of 5-[(1H-benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid","Acta Crystallographica Section E","2012","68","11","o3068","","10.1107/S1600536812041025","","","0.71073","MoKα","","0.1182","0.0559","","","0.1219","0.1523","","","","","","0.957","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236620","7.8438","0.0014","11.555","0.002","10.9649","0.0018","90","","108.375","0.003","90","","943.1","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5-Benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","","- C22 H26 O3 -","- C22 H26 O3 -","- C44 H52 O6 -","2","1","SJ5266","Kim, Tae Ho; Park, Ki-Min; Jeon, Youngeun; Kim, Jineun","Bioresmethrin: (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate","Acta Crystallographica Section E","2012","68","11","o3060","","10.1107/S1600536812040767","","","0.71073","MoKα","","0.052","0.043","","","0.0924","0.0961","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236621","12.144","0.004","6.734","0.002","12.333","0.004","90","","114.589","0.005","90","","917.1","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","SJ5268","Chandra; Srikantamurthy, N.; Jeyaseelan, S.; Umesha, K. B.; Palani, K.; Mahendra, M.","(Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one","Acta Crystallographica Section E","2012","68","11","o3091","","10.1107/S1600536812041311","","","0.71073","MoKα","","0.0489","0.0419","","","0.1055","0.1109","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236622","12.3079","0.0007","19.5089","0.0012","13.0131","0.0006","90","","105.43","0.003","90","","3012","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-Tetrabenzyl-N''-\ (2,6-difluorobenzoyl)phosphoric triamide","","- C35 H32 F2 N3 O2 P -","- C35 H32 F2 N3 O2 P -","- C140 H128 F8 N12 O8 P4 -","4","1","SJ5269","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","N,N,N',N'-Tetrabenzyl-N''-(2,6-difluorobenzoyl)phosphoric triamide","Acta Crystallographica Section E","2012","68","11","o3186","","10.1107/S1600536812042481","","","0.71073","MoKα","","0.0781","0.0439","","","0.0965","0.1114","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236623","9.4262","0.001","12.9863","0.0014","15.4227","0.0016","90","","102.843","0.002","90","","1840.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoximate","(3-Chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate","","- C18 H18 Cl N O5 -","- C18 H18 Cl N O5 -","- C72 H72 Cl4 N4 O20 -","4","1","SJ5275","Kim, Tae Ho; Moon, Suk-Hee; Kim, Jineun; Park, Ki-Min","Benzoximate","Acta Crystallographica Section E","2012","68","11","o3237","","10.1107/S1600536812044248","","","0.71073","MoKα","","0.1235","0.073","","","0.1246","0.1376","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236624","8.5467","0.0013","8.4344","0.0012","8.9674","0.0013","90","","90","","90","","646.43","0.16","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(μ~3~-hydrogenphosphato)(4H-1,2,4-triazole-κN^1^)zinc]","","- C2 H4 N3 O4 P Zn -","- C2 H4 N3 O4 P Zn -","- C8 H16 N12 O16 P4 Zn4 -","4","1","SJ5276","Aitenneite, Hafid; El Bouari, Abdeslam; Sebti, Said; Saadi, Mohamed; El Ammari, Lahcen; Adil, Karim","Poly[(μ~3~-hydrogenphosphato)(4H-1,2,4-triazole-κN^1^)zinc]","Acta Crystallographica Section E","2012","68","11","m1426","m1427","10.1107/S1600536812044182","","","0.71073","MoKα","","0.0218","0.021","","","0.0508","0.0511","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236625","7.526","0.003","12.45","0.005","12.04","0.004","90","","90.243","0.004","90","","1128.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,3-Dimethylanilino)pent-3-en-2-one","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","SU2465","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","4-(2,3-Dimethylanilino)pent-3-en-2-one","Acta Crystallographica Section E","2012","68","10","o2930","o2931","10.1107/S1600536812038779","","","0.71073","MoKα","","0.0413","0.0376","","","","0.1032","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236626","7.0937","0.0007","9.8687","0.001","11.249","0.0011","87.334","0.008","73.475","0.008","75.174","0.008","729.54","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","Caloxanthone C","4-{(E)-2-[4-(But-3-en-1-yloxy)phenyl]diazen-1-yl}benzoic acid","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","SU2476","Rahman, Md. Lutfor; Kwong, Huey Chong; Mohd. Yusoff, Mashitah; Hegde, Gurumurthy; Mohamed Tahir, Mohamed Ibrahim; Rahman, Mohamad Zaki. Ab.","4-{(E)-2-[4-(But-3-en-1-yloxy)phenyl]diazen-1-yl}benzoic acid","Acta Crystallographica Section E","2012","68","10","o2958","","10.1107/S1600536812038718","","","1.5418","CuKα","","0.0645","0.0537","","0.1464","0.1377","0.1464","","","","","","1.0023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236627","10.632","0.003","10.886","0.003","14.546","0.005","89.518","0.005","71.581","0.004","61.56","0.004","1384","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[μ-(3,4,5,6,7-η:1,9,10,11,12)-5,11-Di-tert-butyl-2,2,8,8-tetramethyl- 2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]","","- C26 H34 O4 Ru2 Si2 -","- C26 H34 O4 Ru2 Si2 -","- C52 H68 O8 Ru4 Si4 -","2","1","SU2478","Zhu, Bolin","[μ-(3,4,5,6,7-η:1,9,10,11,12)-5,11-Di-tert-butyl-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]","Acta Crystallographica Section E","2012","68","9","m1164","","10.1107/S1600536812033454","","","0.71073","MoKα","","0.0403","0.0324","","","0.0734","0.0766","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236628","7.18","0.0002","13.2303","0.0007","27.9383","0.0013","90","","90.741","0.003","90","","2653.7","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[iodidocopper(I)]-{μ-N-[(pyridin-2- yl-κN)methylidene]pyridin-3-amine-κ^2^N^3^:N^1^}] acetonitrile monosolvate]","","- C12 H13.5 Cu I N3 -","- C11 H9 Cu I N3 -","- C88 H72 Cu8 I8 N24 -","8","2","SU2480","Mahmoudi, Ali; Dehghanpour, Saeed; Babakhodaverdi, Mojtaba","catena-Poly[[[iodidocopper(I)]-{μ-N-[(pyridin-2-yl-κN)methylidene]pyridin-3-amine-κ^2^N^3^:N^1^}] acetonitrile hemisolvate]","Acta Crystallographica Section E","2012","68","10","m1277","m1278","10.1107/S1600536812037270","","","0.71073","MoKα","","0.1273","0.0604","","","0.1476","0.1778","","","","","","1.017","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236629","11.2806","0.0004","16.3703","0.0007","9.0253","0.0003","90","","90","","90","","1666.67","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[diaqua[μ-1,4-bis(1H-imidazol-1-yl)benzene- κ^2^N^3^:N^3'^](μ-fumarato- κ^2^O^1^:O^4^)nickel(II)]","","- C16 H16 N4 Ni O6 -","- C16 H16 N4 Ni O6 -","- C64 H64 N16 Ni4 O24 -","4","0.5","SU2481","Bian, Chang-Xin; Yao, Xiao-Qiang; Song, Yu-Min","Poly[diaqua[μ-1,4-bis(1H-imidazol-1-yl)benzene-κ^2^N^3^:N^3'^](μ-fumarato-κ^2^O^1^:O^4^)nickel(II)]","Acta Crystallographica Section E","2012","68","10","m1286","m1287","10.1107/S1600536812038895","","","0.71073","MoKα","","0.0355","0.0304","","","0.0893","0.0926","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236630","15.966","0.0007","6.8902","0.0003","12.152","0.0006","90","","103.381","0.005","90","","1300.54","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro- 1,3-thiazole","","- C14 H17 N O S -","- C14 H17 N O S -","- C56 H68 N4 O4 S4 -","4","1","SU2484","Maji, Biplab; Mayr, Herbert; Mayer, Peter","(Z)-2-[Methoxy(phenyl)methylidene]-3,4,5-trimethyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section E","2012","68","9","o2644","","10.1107/S1600536812034137","","","0.71073","MoKα","","0.0491","0.0362","","","0.1003","0.1043","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236631","9.5947","0.0015","6.6293","0.0008","12.34","0.002","90","","92.221","0.005","90","","784.3","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C36 H42 N2 O6 -","2","1","SU2485","Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad","2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2636","","10.1107/S1600536812034083","","","0.71073","MoKα","","0.0964","0.0541","","","0.1198","0.142","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236632","13.9124","0.0018","5.4112","0.0007","17.409","0.002","90","","92.444","0.007","90","","1309.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-[(E)-(2-{2-[(2-{[(E)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol","","- C28 H22 Br2 N2 O2 S2 -","- C28 H22 Br2 N2 O2 S2 -","- C56 H44 Br4 N4 O4 S4 -","2","0.5","SU2486","Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz","4-Bromo-2-[(E)-(2-{2-[(2-{[(E)-5-bromo-2-hydroxybenzylidene]amino}phenyl)sulfanyl]ethylsulfanyl}phenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2635","","10.1107/S1600536812034071","","","0.71073","MoKα","","0.1627","0.0524","","","0.0803","0.1057","","","","","","0.925","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236633","13.4683","0.0009","8.9062","0.0005","14.711","0.0008","90","","105.646","0.002","90","","1699.22","0.18","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","SU2487","Tsumuki, Takehiro; Murohashi, Shun; Nagasawa, Atsushi; Okamoto, Akiko; Yonezawa, Noriyuki","(3,6-Dimethoxynaphthalen-2-yl)(naphthalen-2-yl)methanone","Acta Crystallographica Section E","2012","68","9","o2653","","10.1107/S1600536812034186","","","0.71075","MoKα","","0.0415","0.0377","","","0.1055","0.1088","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236634","13.353","0.005","15.986","0.005","10.023","0.005","90","","104.696","0.005","90","","2069.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","{4,4'-Dimethyl-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C21 H26 Cu N2 O3 -","- C21 H26 Cu N2 O3 -","- C84 H104 Cu4 N8 O12 -","4","0.5","SU2488","Kargar, Hadi; Kia, Reza; Ganji, Fatemeh; Mirkhani, Valiollah","{4,4'-Dimethyl-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","9","m1172","","10.1107/S1600536812034502","","","0.71073","MoKα","","0.1364","0.0843","","","0.1885","0.2087","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236635","10.7929","0.001","10.8527","0.001","12.7815","0.0013","97.745","0.008","104.041","0.007","115.635","0.007","1259.3","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6- dihydropyridazin-1-yl)propan-1-one","","- C29 H27 Cl N4 O2 -","- C29 H27 Cl N4 O2 -","- C58 H54 Cl2 N8 O4 -","2","1","SU2489","Aydın, Abdullah; Akkurt, Mehmet; Doğruer, Deniz S.; Büyükgüngör, Orhan","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2720","","10.1107/S160053681203543X","","","0.71073","MoKα","","0.0546","0.0406","","","0.1035","0.1109","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236636","8.6455","0.0002","10.7338","0.0003","12.331","0.0003","90","","99.055","0.001","90","","1130.04","0.05","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,8R,15S,19R)-17-Benzyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca- 2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","","","- C26 H24 Cl3 N -","- C26 H24 Cl3 N -","- C52 H48 Cl6 N2 -","2","1","SU2490","Bratko, Ielyzaveta; Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","(1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate","Acta Crystallographica Section E","2012","68","10","o2881","","10.1107/S1600536812037749","","","0.71073","MoKα","","0.0465","0.0419","","","0.1137","0.1186","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236637","10.222","0.002","7.128","0.002","16.537","0.004","90","","90","","90","","1204.9","0.5","100","0.5","100","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","1","SU2491","Millican, Jasmine N.; Fronczek, Frank R.; Watkins, Steve F.","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100K","Acta Crystallographica Section E","2012","68","9","o2652","","10.1107/S1600536812034034","","","0.71073","MoKα","","","0.0505","","","","0.1229","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236638","10.881","0.0019","5.2783","0.0009","12.751","0.002","90","","114.333","0.003","90","","667.27","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Chloro-1H-pyrrolo[2,3-d]pyrimidine","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C24 H16 Cl4 N12 -","4","1","SU2492","Dong, Su-Lan; Cheng, Xiaochun","4-Chloro-1H-pyrrolo[2,3-d]pyrimidine","Acta Crystallographica Section E","2012","68","9","o2666","","10.1107/S1600536812034095","","","0.71073","MoKα","","0.0547","0.0516","","","0.1424","0.1446","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236639","6.4527","0.0002","11.2213","0.0004","16.9371","0.0007","90","","100.002","0.002","90","","1207.74","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","SU2493","Anuradha, G.; Gopalsamy, Vasuki; Veera Reddy, A.; Laxminarasimhulu, G.","3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide","Acta Crystallographica Section E","2012","68","10","o2957","","10.1107/S160053681203838X","","","0.71073","MoKα","","0.0858","0.0498","","","0.1461","0.172","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236640","25.836","0.003","10.482","0.0012","22.544","0.003","90","","90","","90","","6105.2","1.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium tetrakis(η^2^-ethylene)cobaltate(-I)","","- C26 H52 Co K N2 O6 -","- C26 H52 Co K N2 O6 -","- C208 H416 Co8 K8 N16 O48 -","8","1","SU2495","Brennessel, William W.; Ellis, John E.","(2.2.2-Cryptand)potassium tetrakis(η^2^-ethylene)cobaltate({-}I)","Acta Crystallographica Section E","2012","68","10","m1257","m1258","10.1107/S1600536812038287","","","0.71073","MoKα","","0.0702","0.035","","","0.0645","0.0734","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236641","12.84","0.005","15.457","0.005","22.173","0.005","90","","102.397","0.005","90","","4298","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Bis(3,5-dichloroalicylidene)-2,2-dimethyl-1,3-propandiamine]dioxomolybdenum(VI)","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","","- C19 H16 Cl4 Mo N2 O4 -","- C19 H16 Cl4 Mo N2 O4 -","- C152 H128 Cl32 Mo8 N16 O32 -","8","2","SU2496","Kargar, Hadi; Kubicki, Maciej","{4,4',6,6'-Tetrachloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","Acta Crystallographica Section E","2012","68","10","m1251","m1252","10.1107/S160053681203807X","","","1.54178","CuKα","","0.028","0.0274","","","0.0785","0.079","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236642","9.6054","0.0007","36.567","0.002","14.4207","0.001","90","","105.038","0.003","90","","4891.7","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tris(η^5^-cyclopentadienyl)-[(tris-η^6^)-(9,10-dihydroanthracene-9,10-endo-\ 3',4'-(N-benzyl)-pyrrolidine)]-triruthenium(II) tris(hexafluorophosphate)","Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10- endo-3',4'-(N-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acteone disolvate","","- C46 H50 F18 N O2 P3 Ru3 -","- C46 H50 F18 N O2 P3 Ru3 -","- C184 H200 F72 N4 O8 P12 Ru12 -","4","1","SU2499","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","Tris(η^5^-cyclopentadienyl)-tris[η^6^-[9,10-dihydroanthracene-9,10-endo-3',4'-(N-benzyl)pyrrolidine]]triruthenium(II) tris(hexafluorophosphate) acetone disolvate","Acta Crystallographica Section E","2012","68","10","m1313","m1314","10.1107/S1600536812040652","","","0.71073","MoKα","","0.0999","0.0468","","","0.0793","0.0934","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236643","17.64","0.001","11.0295","0.0006","11.3791","0.0006","90","","99.133","0.001","90","","2185.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propan-2-yl r-4-(4-fluorophenyl)-3-hydroxy-c-6-methyl-2-phenyl- 4,5-dihydro-2H-indazole-t-5-carboxylate","","- C24 H23 F N2 O3 -","- C24 H23 F N2 O3 -","- C96 H92 F4 N8 O12 -","4","1","SU2500","Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A. G.","Propan-2-yl r-4-(4-fluorophenyl)-3-hydroxy-c-6-methyl-2-phenyl-4,5-dihydro-2H-indazole-t-5-carboxylate","Acta Crystallographica Section E","2012","68","10","o3021","o3022","10.1107/S1600536812039955","","","0.71073","MoKα","","0.0676","0.0508","","","0.1242","0.1352","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236644","3.8874","0.001","9.782","0.003","13.078","0.003","111.569","0.019","90.83","0.02","95.01","0.02","460.1","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Methyl 2-oxo-2H-chromene-3-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C22 H16 O8 -","2","1","SU2501","Saeed, Aamer; Ibrar, Aalia; Arshad, Muhammad; Bolte, Michael","Methyl 2-oxo-2H-chromene-3-carboxylate","Acta Crystallographica Section E","2012","68","10","o3024","","10.1107/S1600536812040044","","","0.71073","MoKα","","0.0552","0.0431","","","0.1157","0.1225","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236645","9.9428","0.0012","7.3693","0.0009","19.743","0.002","90","","95.525","0.008","90","","1439.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,4-dinitrophenyl)sulfane","","- C12 H6 N4 O8 S -","- C12 H6 N4 O8 S -","- C48 H24 N16 O32 S4 -","4","1","SU2502","Buvaneswari, M.; Kalaivani, D.; Nethaji, M.","Bis(2,4-dinitrophenyl)sulfane","Acta Crystallographica Section E","2012","68","11","o3116","","10.1107/S1600536812041803","","","0.71073","MoKα","","0.1113","0.0463","","","0.089","0.1099","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236646","9.6741","0.0004","12.6695","0.0007","14.3601","0.0007","68.354","0.005","75.273","0.004","84.264","0.004","1582.16","0.15","180","","180","","","","","","","","","6","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate","","- C14 H44 Cl5 La N4 O11 -","- C14 H44 Cl5 La N4 O11 -","- C28 H88 Cl10 La2 N8 O22 -","2","1","SU2504","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate","Acta Crystallographica Section E","2012","68","11","m1321","m1322","10.1107/S1600536812040901","","","0.71073","MoKα","","0.028","0.0233","","","0.0533","0.0564","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236647","7.4099","0.0006","8.4298","0.0007","10.0254","0.0008","100.353","0.001","108.975","0.001","98.679","0.001","567.62","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^O:O')-bis[(3-pyridinecarboxaldehyde- κN')]dicopper(II)(Cu—Cu)","","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","- C20 H22 Cu2 N2 O10 -","1","0.5","SU2505","Cruz-Enriquez, Adriana; Baez-Castro, Alberto; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, Jose J.","Tetrakis(μ-acetato-κ^2^O:O')-bis[(3-pyridinecarboxaldehyde-κN')]dicopper(II)(Cu{—Cu})","Acta Crystallographica Section E","2012","68","11","m1339","m1340","10.1107/S1600536812041074","","","0.71073","MoKα","","0.0278","0.0271","","","0.0676","0.0681","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236648","9.5172","0.0004","10.7739","0.0005","11.9976","0.0005","74.855","0.004","69.78","0.004","85.075","0.004","1114.28","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaqua\ dichloridodineodymium(III)] pentachloride dihydrate","","- C21 H57 Cl9 N6 Nd2 O12 -","- C21 H57 Cl9 N6 Nd2 O12 -","- C21 H57 Cl9 N6 Nd2 O12 -","1","0.5","SU2506","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","Tris[4-(dimethylamino)pyridinium][(bis-μ-dichlorido)-decaaquadichloridodineodymium(III)] pentachloride dihydrate","Acta Crystallographica Section E","2012","68","11","m1342","m1343","10.1107/S1600536812041724","","","0.71073","MoKα","","0.0356","0.0289","","","0.0633","0.0676","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236649","18.3169","0.0007","9.6142","0.0003","23.1656","0.0008","90","","99.0261","0.0007","90","","4029","0.2","296","","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Methoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","2","SU2509","Akkurt, Mehmet; Marzouk, Adel A.; Abbasov, Vagif. M.; Abdelhamid, Antar A.; Gurbanov, Atash V.","2-(4-Methoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole","Acta Crystallographica Section E","2012","68","11","o3113","o3114","10.1107/S1600536812041979","","","0.71073","MoKα","","0.0813","0.0584","","","0.1593","0.181","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236650","9.1568","0.0008","11.4452","0.001","11.4928","0.0011","90","","110.84","0.004","90","","1125.66","0.18","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Di-tert-butyl N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}iminodiacetate","","- C20 H29 N5 O4 -","- C20 H29 N5 O4 -","- C40 H58 N10 O8 -","2","1","SU2510","François, Alison; Marty, Louise; Picard, Claude; Mallet-Ladeira, Sonia; Benoist, Eric","Di-tert-butyl N-{[1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}iminodiacetate","Acta Crystallographica Section E","2012","68","11","o3162","","10.1107/S1600536812042596","","","0.71073","MoKα","","0.1306","0.0585","","","0.1016","0.122","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236651","7.8775","0.0003","9.3601","0.0004","15.2593","0.0006","105.831","0.003","101.498","0.003","90.919","0.003","1057.77","0.08","180","","180","","","","","","","","","6","P -1","-P 1","2","","4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate","","- C7 H29 Cl4 Er N2 O9 -","- C7 H29 Cl4 Er N2 O9 -","- C14 H58 Cl8 Er2 N4 O18 -","2","1","SU2511","Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude; Zeghouan, Ouahida","4-(Dimethylamino)pyridinium octaaquaerbium(III) tetrachloride monohydrate","Acta Crystallographica Section E","2012","68","11","m1388","m1389","10.1107/S1600536812043048","","","0.71073","MoKα","","0.0166","0.0151","","","0.0369","0.0376","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236652","22.592","0.0014","13.8299","0.0008","17.9092","0.0012","90","","95.269","0.008","90","","5572","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-(2,2'-Bipyridine-κ^2^N,N')bis(isonicotinamide- κN^1^)palladium(II) bis(hexafluoridophosphate)","","- C22 H20 F12 N6 O2 P2 Pd -","- C22 H20 F12 N6 O2 P2 Pd -","- C176 H160 F96 N48 O16 P16 Pd8 -","8","1","SU2513","Adrian, Rafael A.; Quintela, Brayan; Powell, Douglas R.; Ng, Seik Weng; Tiekink, Edward R. T.","cis-(2,2'-Bipyridine-κ^2^N,N')bis(isonicotinamide-κN^1^)palladium(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2012","68","11","m1390","m1391","10.1107/S1600536812043036","","","1.54178","CuKα","","0.074","0.0523","","","0.1332","0.1466","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236653","6.8957","0.0003","10.2716","0.0005","12.7297","0.0006","74.843","0.004","87.579","0.004","73.304","0.004","833.06","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate","","- C16 H19 N3 O4 S -","- C16 H19 N3 O4 S -","- C32 H38 N6 O8 S2 -","2","1","SU2516","Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Kantar, Esen Nur; Belder, Ayşe","Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2012","68","11","o3213","o3214","10.1107/S1600536812043772","","","1.54184","CuKα","","0.0364","0.0359","","","0.0983","0.0988","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236654","6.945","0.001","5.542","0.001","17.238","0.003","90","","90","","90","","663.48","0.19","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromobutane-2,3-dione","","- C4 H4 Br2 O2 -","- C4 H4 Br2 O2 -","- C16 H16 Br8 O8 -","4","0.5","SU2517","Zai, De-Xin","1,4-Dibromobutane-2,3-dione","Acta Crystallographica Section E","2012","68","11","o3245","","10.1107/S1600536812044200","","","0.71073","MoKα","","0.1332","0.0648","","","0.0869","0.1076","","","","","","0.927","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236655","9.023","0.0012","9.367","0.0012","16.269","0.002","90","","101.453","0.003","90","","1347.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2,6-Diisopropylphenyl)thioamide","","- C13 H19 N S -","- C13 H19 N S -","- C52 H76 N4 S4 -","4","1","TK5134","Omondi, Bernard; Levendis, Demetrius C.","N-(2,6-Diisopropylphenyl)thioamide","Acta Crystallographica Section E","2012","68","9","o2604","","10.1107/S1600536812033685","","","0.71073","MoKα","","0.1034","0.0537","","","0.1352","0.1603","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236656","13.765","0.003","5.9378","0.0012","16.635","0.004","90","","112.914","0.012","90","","1252.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole","","- C4 H5 N7 -","- C4 H5 N7 -","- C32 H40 N56 -","8","2","TK5136","Liu, Bing; Tomé, João P. C.; Cunha-Silva, Luís; Almeida Paz, Filipe A.","5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","9","o2700","o2701","10.1107/S1600536812034691","","","0.71073","MoKα","","0.1635","0.073","","","0.1714","0.2255","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236657","8.2846","0.0008","9.7782","0.0009","16.5355","0.0014","90","","102.344","0.002","90","","1308.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Di-2-pyridylamine-κ^2^N^2^,N^2'^)diiodidopalladium(II)","","- C10 H9 I2 N3 Pd -","- C10 H9 I2 N3 Pd -","- C40 H36 I8 N12 Pd4 -","4","1","TK5137","Ha, Kwang","(Di-2-pyridylamine-κ^2^N^2^,N^2'^)diiodidopalladium(II)","Acta Crystallographica Section E","2012","68","9","m1144","","10.1107/S1600536812033946","","","0.71073","MoKα","","0.0534","0.0284","","","0.0524","0.0649","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236658","9.035","0.002","10.137","0.003","18.789","0.005","94.005","0.005","97.749","0.004","114.289","0.004","1539.2","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Tetrabutylammonium sesquihydrogen(phenylarsonate)","Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)","","- C28 H49 As2 N O6 -","- C28 H49 As2 N O6 -","- C56 H98 As4 N2 O12 -","2","1","TK5138","Reck, Lukas; Schmitt, Wolfgang","Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)","Acta Crystallographica Section E","2012","68","9","m1212","m1213","10.1107/S1600536812035362","","","0.71073","MoKα","","0.0294","0.0256","","","0.0677","0.0696","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236659","7.3059","0.0002","7.3059","0.0002","47.3659","0.0016","90","","90","","90","","2528.21","0.13","100","2","100","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","trans-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate","","- C18 H20 Cl6 N8 Ru -","- C18 H20 Cl6 N8 Ru -","- C72 H80 Cl24 N32 Ru4 -","4","0.25","TK5139","Nesterov, Vladimir N.; Khan, Wajiha; Rangel, Alexandra E.; Smucker, Bradley W.","trans-Dichloridotetrapyrazineruthenium(II) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","9","m1193","","10.1107/S1600536812035817","","","0.71073","MoKα","","0.0168","0.0162","","","0.0398","0.0402","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236660","10.1077","0.0007","12.5703","0.0011","13.1586","0.0017","90","","102.886","0.01","90","","1629.8","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-4-Hydroxy-N'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","","- C15 H15 I N2 O4 -","- C15 H15 I N2 O4 -","- C60 H60 I4 N8 O16 -","4","1","TK5140","Mahboubi Anarjan, Parisa; Monfared, Hassan Hosseini; Arslan, N. Burcu; Kazak, Canan; Bikas, Rahman","(E)-4-Hydroxy-N'-(2-hydroxy-5-iodobenzylidene)benzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2698","","10.1107/S1600536812034848","","","0.71073","MoKα","","0.0383","0.0361","","","0.0864","0.0899","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236661","8.7527","0.0004","10.1342","0.0004","17.0211","0.0006","90","","104.187","0.004","90","","1463.75","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzimidazole","2-(4-Fluorophenyl)-1-phenyl-1H-benzimidazole","","- C19 H13 F N2 -","- C19 H13 F N2 -","- C76 H52 F4 N8 -","4","1","TK5141","Jayamoorthy, K.; Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Butcher, R. J.","2-(4-Fluorophenyl)-1-phenyl-1H-benzimidazole","Acta Crystallographica Section E","2012","68","9","o2708","","10.1107/S1600536812035155","","","0.71073","MoKα","","0.091","0.0631","","","0.1428","0.1598","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236662","29.848","0.004","7.9668","0.0011","26.325","0.004","90","","119.94","0.002","90","","5424.5","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrole","2,4,6-Trimethyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","","- C15 H18 N2 -","- C15 H18 N2 -","- C240 H288 N32 -","16","2","TK5142","Su, Bi-yun; Li, Lei; Wang, Jia-Xiang; Li, Xuan-Yan","2,4,6-Trimethyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","10","o2889","","10.1107/S1600536812037774","","","0.71073","MoKα","","0.1255","0.0568","","","0.13","0.1592","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236663","6.3441","0.0001","11.1354","0.0002","13.7754","0.0003","90","","90","","90","","973.15","0.03","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Amino-3-anilino-1H-pyrazole-4-carbonitrile","","- C10 H9 N5 -","- C10 H9 N5 -","- C40 H36 N20 -","4","1","TK5143","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; El-Remaily, Mahmoud A. A.; Abdelhamid, Antar A.","5-Amino-3-anilino-1H-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2784","","10.1107/S1600536812036045","","","0.71073","MoKα","","0.0377","0.033","","","0.083","0.0859","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236664","18.158","0.002","9.5046","0.0013","24.066","0.003","90","","100.825","0.002","90","","4079.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(dimethylformamide)tris(μ~4~-terephthalato)trimagnesium]","","- C36 H40 Mg3 N4 O16 -","- C36 H40 Mg3 N4 O16 -","- C144 H160 Mg12 N16 O64 -","4","1","TK5144","Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Poly[tetrakis(dimethylformamide)tris(μ~4~-terephthalato)trimagnesium]","Acta Crystallographica Section E","2012","68","10","m1291","m1292","10.1107/S1600536812038949","","","0.71073","MoKα","","0.0905","0.0662","","","0.1384","0.1494","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236665","8.5695","0.0002","16.1634","0.0005","23.8325","0.0007","90","","92.399","0.002","90","","3298.2","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1H)-dione","","- C37 H30 Cl4 N2 O2 -","- C37 H30 Cl4 N2 O2 -","- C148 H120 Cl16 N8 O8 -","4","1","TK5147","Suresh, J.; Vishnupriya, R.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-(2,4-Dichlorobenzylidene)-1'-(2,4-dichlorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione","Acta Crystallographica Section E","2012","68","10","o2906","","10.1107/S1600536812037956","","","0.71073","MoKα","","0.0563","0.0411","","","0.0945","0.1047","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236666","9.8","0.003","14.2392","0.0004","14.7772","0.0005","90","","90","","90","","2062.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κ^2^O,O')[2'-(di-tert-butylphosphanyl)-1,1'- biphenyl-κ^2^P,C^2^]palladium(II)","","- C22 H29 O2 P Pd -","- C22 H29 O2 P Pd -","- C88 H116 O8 P4 Pd4 -","4","1","TK5150","Arderne, Charmaine; Holzapfel, Cedric W.","(Acetato-κ^2^O,O')[2'-(di-tert-butylphosphanyl)-1,1'-biphenyl-κ^2^P,C^2^]palladium(II)","Acta Crystallographica Section E","2012","68","10","m1308","","10.1107/S1600536812040068","","","0.71073","MoKα","","0.0144","0.0139","","","0.0339","0.0342","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236667","9.2327","0.0009","9.8708","0.0011","10.6787","0.0014","79.604","0.01","70.351","0.011","87.848","0.008","901.2","0.19","123","2","123","2","","","","","","","","3","P -1","-P 1","2","pyrazine","2-Ethyl-3,5,6-triphenylpyrazine","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","1","TK5151","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Butcher, R. J.","2-Ethyl-3,5,6-triphenylpyrazine","Acta Crystallographica Section E","2012","68","10","o3003","","10.1107/S1600536812039827","","","1.54184","CuKα","","0.0807","0.0627","","","0.1757","0.1981","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236668","8.4913","0.0003","16.6782","0.0006","20.5435","0.0007","90","","100.028","0.002","90","","2864.92","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5''-Benzylidene-1''-methyl-1'-phenyl-1',2',3',5',6',7',8',8a'- octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]- 2,4''(1H)-dione","","- C37 H34 N2 O2 -","- C37 H34 N2 O2 -","- C148 H136 N8 O8 -","4","1","TK5152","Suresh, J.; Nagalakshmi, R. A.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-Benzylidene-1''-methyl-1'-phenyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione","Acta Crystallographica Section E","2012","68","10","o2981","","10.1107/S1600536812039591","","","0.71073","MoKα","","0.0932","0.0533","","","0.1316","0.1567","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236669","8.892","0.001","9.1951","0.001","13.1515","0.0014","85.399","0.002","71.947","0.002","77.442","0.002","997.81","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-[1-(3-Hydroxybenzyl)-1H-benzimidazol-2-yl]phenol dimethyl sulfoxide monosolvate","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C44 H44 N4 O6 S2 -","2","1","TK5153","Quezada-Miriel, Magdalena; Avila-Sorrosa, Alcives; German-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David","3-[1-(3-Hydroxybenzyl)-1H-benzimidazol-2-yl]phenol dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","10","o3053","o3054","10.1107/S1600536812040275","","","0.71073","MoKα","","0.0516","0.0418","","","0.1071","0.1131","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236670","4.6306","0.0003","18.1105","0.0012","15.3748","0.001","90","","98.532","0.001","90","","1275.1","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-Diiodoazobenzene","(E)-bis(2-iodophenyl)diazene","","- C12 H8 I2 N2 -","- C12 H8 I2 N2 -","- C48 H32 I8 N8 -","4","1","TK5154","Elder, Philip J. W.; Vargas-Baca, Ignacio","2,2'-Diiodoazobenzene","Acta Crystallographica Section E","2012","68","11","o3127","","10.1107/S1600536812040718","","","0.71073","MoKα","","0.0398","0.0272","","","0.0546","0.0594","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236671","24.066","0.002","10.0715","0.0008","14.5969","0.0011","90","","90","","90","","3538","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(μ~1~-Methanolato-κ^1^O)-μ~1~-methoxo-κ^1^-O(μ~2~-2-amino-1- methyl-5H-imidazol-4-one-κ^2^N:N')- hexacarbonyldirhenium(I)","","- C12 H12 N3 O9 Re2 -","- C12 H12 N3 O9 Re2 -","- C96 H96 N24 O72 Re16 -","8","1","TK5155","Schutte, M.; Visser, H. G.; Roodt, A.","(μ~1~-Methanolato-κ^1^O)-μ~1~-methoxo-κ^1^O-(μ~2~-2-amino-1-methyl-5H-imidazol-4-one-κ^2^N:N')-hexacarbonyldirhenium(I)","Acta Crystallographica Section E","2012","68","11","m1359","m1360","10.1107/S1600536812041700","","","0.71073","MoKα","","0.0335","0.03","","","","0.0784","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236672","8.1963","0.0002","10.1554","0.0003","11.0057","0.0003","90","","107.435","0.003","90","","873.99","0.04","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^O,N: O',N')(nitrato-κO)cadmium]","","- C5 H5 Cd N3 O6 -","- C5 H5 Cd N3 O6 -","- C20 H20 Cd4 N12 O24 -","4","1","TK5156","In-noi, Orrasa; Chainok, Kittipnog; Harding, David J.","Poly[aqua(μ~2~-pyrimidine-2-carboxylato-κ^4^O,N:O',N')(nitrato-κO)cadmium]","Acta Crystallographica Section E","2012","68","11","m1349","m1350","10.1107/S1600536812041645","","","0.71073","MoKα","","0.0344","0.0282","","","0.0672","0.0697","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236673","11.0708","0.0002","10.0435","0.0002","17.574","0.0004","90","","104.973","0.001","90","","1887.7","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-Chloropropyl)triphenylphosphonium bromide","(3-Chloropropyl)triphenylphosphonium bromide","","- C21 H21 Br Cl P -","- C21 H21 Br Cl P -","- C84 H84 Br4 Cl4 P4 -","4","1","TK5158","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Dayananda, A. S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","(3-Chloropropyl)triphenylphosphonium bromide","Acta Crystallographica Section E","2012","68","11","o3115","","10.1107/S1600536812042122","","","0.71073","MoKα","","0.0393","0.0344","","","0.1037","0.1074","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236674","30.7475","0.0016","5.8877","0.0003","15.4364","0.0008","90","","105.47","0.005","90","","2693.2","0.2","249","2","249","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[4-Chloro-3-(trifluoromethyl)phenyl]-4-phenyl-1H-1,2,3-triazole","","- C15 H9 Cl F3 N3 -","- C15 H9 Cl F3 N3 -","- C120 H72 Cl8 F24 N24 -","8","1","TK5159","Altimari, Jarrad M.; Healy, Peter C.; Henderson, Luke C.","1-[4-Chloro-3-(trifluoromethyl)phenyl]-4-phenyl-1H-1,2,3-triazole","Acta Crystallographica Section E","2012","68","11","o3159","","10.1107/S1600536812042705","","","0.7107","MoKα","","0.0548","0.0411","","","0.0851","0.0911","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236675","15.355","0.003","11.139","0.002","11.546","0.002","90","","111.38","0.03","90","","1838.9","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4,5-Trimethoxyphenol","","- C9 H12 O4 -","- C9 H12 O4 -","- C72 H96 O32 -","8","2","TK5160","Jia, Xiao-Chuan; Li, Jing; Yu, Zhi-Rui; Zhang, Hui; Zhou, Lei","3,4,5-Trimethoxyphenol","Acta Crystallographica Section E","2012","68","11","o3160","","10.1107/S1600536812042997","","","0.71073","MoKα","","0.0566","0.0506","","","0.1186","0.1229","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236676","11.4824","0.0004","6.9072","0.0002","14.4978","0.0005","90","","113.128","0.0015","90","","1057.42","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1H)-one","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","TK5161","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1H)-one","Acta Crystallographica Section E","2012","68","11","o3198","","10.1107/S1600536812043279","","","0.71073","MoKα","","0.1011","0.0769","","","0.2577","0.2715","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236677","16.5055","0.0004","8.8068","0.0002","16.669","0.0004","90","","90","","90","","2423.02","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1H,3H)-dione monohydrate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","TK5162","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1H,3H)-dione monohydrate","Acta Crystallographica Section E","2012","68","11","o3199","o3200","10.1107/S1600536812043280","","","0.71073","MoKα","","0.0685","0.0442","","","0.1147","0.1274","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236678","10.75","0.002","15.194","0.003","13.699","0.003","90","","125.29","0.03","90","","1826.4","0.9","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","fac-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde- κ^2^O,P]rhenium(I)","","- C16 H19 Br O4 P Re -","- C16 H19 Br O4 P Re -","- C64 H76 Br4 O16 P4 Re4 -","4","1","VN2046","Apostolidis, Christos; Ahlmann, Martin; Walter, Olaf","fac-Bromidotricarbonyl[2-(diisopropylphosphanyl)benzaldehyde-κ^2^O,P]rhenium(I)","Acta Crystallographica Section E","2012","68","9","m1201","","10.1107/S1600536812035957","","","0.71073","MoKα","","0.0212","0.0184","","","0.0445","0.0453","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236679","7.836","0.003","8.051","0.003","8.733","0.003","85.44","0.03","73.85","0.03","65.12","0.04","479.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,2'-[(1E,2E)-1,2-Bis(hydroxyimino)ethane-1,2-diyl]dipyridinium hexachloridorhenate(IV)","","- C12 H12 Cl6 N4 O2 Re -","- C12 H12 Cl6 N4 O2 Re -","- C12 H12 Cl6 N4 O2 Re -","1","0.5","VN2047","Krawczyk, Monika K.; Krawczyk, Marta S.; Siczek, Miłosz; Lis, Tadeusz","2,2'-[(1E,2E)-1,2-Bis(hydroxyimino)ethane-1,2-diyl]dipyridinium hexachloridorhenate(IV)","Acta Crystallographica Section E","2012","68","9","m1174","m1175","10.1107/S1600536812035052","","","0.71073","MoKα","","0.0288","0.0254","","","0.0379","0.0385","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236680","10.4952","0.0005","10.5143","0.0005","19.3506","0.0009","82.722","0.001","82.834","0.001","81.658","0.001","2083.37","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrabutylammonium tetrakis(trimethylsilanolato-κO)ferrate(III)","","- C28 H72 Fe N O4 Si4 -","- C28 H72 Fe N O4 Si4 -","- C56 H144 Fe2 N2 O8 Si8 -","2","1","VN2048","Hay, Michael; Staples, Richard; Lee, Andre","Tetrabutylammonium tetrakis(trimethylsilanolato-κO)ferrate(III)","Acta Crystallographica Section E","2012","68","9","m1186","","10.1107/S1600536812035337","","","0.71073","MoKα","","0.0642","0.0406","","","0.0815","0.0877","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236681","8.1593","0.0004","11.2985","0.0005","18.9456","0.0009","77.205","0.004","84.015","0.004","89.802","0.004","1693.55","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,9-DM-1,10-phen.Hg(SCN)2","(2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(thiocyanato- κS)mercury(II)","","- C16 H12 Hg N4 S2 -","- C16 H12 Hg N4 S2 -","- C64 H48 Hg4 N16 S8 -","4","2","VN2049","Warad, Ismail; Hadda, Taibi Ben; Hammouti, Belkheir; Haddad, Salim F.","(2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(thiocyanato-κS)mercury(II)","Acta Crystallographica Section E","2012","68","10","m1259","","10.1107/S1600536812038160","","","0.71073","MoKα","","0.045","0.0325","","","0.0606","0.0657","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236682","7.7552","0.0003","16.1249","0.0008","17.7178","0.0007","75.531","0.004","85.173","0.003","88.398","0.004","2137.71","0.16","136","2","136","2","","","","","","","","5","P -1","-P 1","2","","Diaquatris(nitrato-κ^2^O,O'){2,2'-[pyridine-2,6- diylbis(methyleneoxy)]dibenzaldehyde-κO^1^}dysprosium(III)‒ 2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)","","- C42 H38 Dy N5 O19 -","- C42 H38 Dy N5 O19 -","- C84 H76 Dy2 N10 O38 -","2","1","VN2050","Rodríguez de Luna, Sara Luisa; Elizondo, Perla; Bernès, Sylvain; Flores-Alamo, Marcos; López, Leyda E.","Diaquatris(nitrato-κ^2^O,O'){2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde-κO^1^}dysprosium(III)‒2,2'-[pyridine-2,6-diylbis(methyleneoxy)]dibenzaldehyde (1/1)","Acta Crystallographica Section E","2012","68","10","m1239","m1240","10.1107/S160053681203680X","","","0.71073","MoKα","","0.0382","0.0304","","","0.0619","0.0662","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236683","7.1927","0.0008","37.159","0.004","17.925","0.002","90","","90","","90","","4790.9","0.9","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Lithium pentasodium nonamolybdate","","- Li Mo9 Na5 O30 -","- Li Mo9 Na5 O30 -","- Li8 Mo72 Na40 O240 -","8","0.5","VN2054","Hamza, Hamadi; Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed","LiNa~5~Mo~9~O~30~","Acta Crystallographica Section E","2012","68","11","i80","i81","10.1107/S1600536812041876","","","0.71073","MoKα","","0.035","0.0347","","","0.0954","0.0957","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236684","8.146","0.0007","8.809","0.0009","15.167","0.0013","100.434","0.001","91.106","0.001","104.482","0.002","1033.96","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)- κ^4^O^1^,O^2^:O^1^,O^1'^; κ^4^O^1^,O^1'^:O^1^,O^2^-bis[triaqua(6-carboxy-2- nitrobenzoato-κ^2^O^1^,O^6^)neodymium(III)] dihydrate","","- C32 H30 N4 Nd2 O32 -","- C32 H30 N4 Nd2 O32 -","- C32 H30 N4 Nd2 O32 -","1","0.5","VN2055","Chang, Yin-cheng; Pei, Zhi-chao; Shuai, Qi","Bis(μ-3-nitrobenzene-1,2-dicarboxylato)-κ^4^O^1^,O^2^:O^1^,O^1'^;κ^4^O^1^,O^1'^:O^1^,O^2^-bis[triaqua(6-carboxy-2-nitrobenzoato-κ^2^O^1^,O^6^)neodymium(III)] dihydrate","Acta Crystallographica Section E","2012","68","11","m1379","","10.1107/S1600536812042754","","","0.71073","MoKα","","0.0386","0.0334","","","0.0739","0.076","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236685","6.3133","0.0016","5.3677","0.0014","4.9685","0.0012","90","","90","","90","","168.37","0.07","295","","295","","","","","","","","","4","P m n 21","P 2ac -2","31","","dilithium manganese(II) silicate","","- Li2 Mn O4 Si -","- Li2 Mn O4 Si -","- Li4 Mn2 O8 Si2 -","2","0.5","WM2658","Sato, Mineo; Ishigaki, Tadashi; Uematsu, Kazuyoshi; Toda, Kenji; Okawa, Hirokazu","Redetermination of the low-temperature polymorph of Li~2~MnSiO~4~ from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","9","i68","i69","10.1107/S1600536812035040","","","0.71069","MoKα","","0.0146","0.0145","","","0.0366","0.0366","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236686","6.2006","0.0012","9.77","0.002","11.259","0.003","90","","115.33","0.02","90","","616.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]","","- C10 H8 Ca O11 Zn -","- C10 H8 Ca O11 Zn -","- C20 H16 Ca2 O22 Zn2 -","2","0.5","WM2661","Jia, Yong-Yan; Chen, Bo; Yuan, Yu-Xia","Poly[[diaqua(μ~8~-benzene-1,2,4,5-tetracarboxylato)calciumzinc] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1150","","10.1107/S1600536812034113","","","0.71073","MoKα","","0.0304","0.0274","","","0.0938","0.0986","","","","","","0.838","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236687","12.9161","0.0002","13.987","0.0002","21.8215","0.0003","90","","99.238","0.001","90","","3891.09","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(thiourea-κS) μ~2~-oxalatobistriphenyldistannate(IV)","μ~2~-Oxalato-bis[triphenyl(thiourea-κS)tin(IV)]","","- C40 H38 N4 O4 S2 Sn2 -","- C40 H38 N4 O4 S2 Sn2 -","- C160 H152 N16 O16 S8 Sn8 -","4","0.5","WM2662","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Kohn, Gabrielle","μ~2~-Oxalato-bis[triphenyl(thiourea-κS)tin(IV)]","Acta Crystallographica Section E","2012","68","11","m1337","","10.1107/S1600536812040706","","","0.71073","MoKα","","0.0427","0.0298","","","0.0612","0.066","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236688","8.5839","0.0017","12.95","0.003","14.975","0.005","90","","114.34","0.02","90","","1516.7","0.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole- κ^2^N^1^,N^5^]diaquacobalt(II) bis(perchlorate)","","- C24 H24 Cl2 Co N12 O10 -","- C24 H24 Cl2 Co N12 O10 -","- C48 H48 Cl4 Co2 N24 O20 -","2","0.5","WM2664","Feng, Mi; Ji, Yu-Fei; Liang, Sheng-Li; Liu, Zhi-Liang","Bis[4-amino-3,5-bis(pyridin-2-yl)-4H-1,2,4-triazole-κ^2^N^1^,N^5^]diaquacobalt(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","10","m1272","m1273","10.1107/S1600536812038573","","","0.71073","MoKα","","0.0574","0.0495","","","0.116","0.1213","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236689","11.482","0.007","17.648","0.01","20.771","0.012","90","","90","","90","","4209","4","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Acetyldicarbonyl(η^5^- cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","","- C22 H21 Mo O3 P -","- C22 H21 Mo O3 P -","- C176 H168 Mo8 O24 P8 -","8","1","WM2666","Whited, Matthew T.; Boerma, Joseph W.; McClellan, Michael J.; Padilla, Christian E.; Janzen, Daron E.","trans-Acetyldicarbonyl(η^5^-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2012","68","9","m1158","m1159","10.1107/S1600536812034307","","","0.71075","MoKα","","","0.0318","","","","0.0723","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236690","9.5791","0.0019","20.633","0.0014","6.7649","0.0015","90","","91.687","0.001","90","","1336.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^- bis[aqua(2,2'-bipyridine-κN)(nitrato-κ^2^O,O')lead(II)]","","- C22 H20 N6 O12 Pb2 -","- C22 H20 N6 O12 Pb2 -","- C44 H40 N12 O24 Pb4 -","2","0.5","WM2667","Pan, Gang-Hong; Tang, Jin-Niu; Huang, Zhong-Jing; Li, Long; Zhang, Chun-Mei","μ-Oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^-bis[aqua(2,2'-bipyridine-κN)(nitrato-κ^2^O,O')lead(II)]","Acta Crystallographica Section E","2012","68","10","m1310","","10.1107/S1600536812040196","","","0.71073","MoKα","","0.0358","0.0309","","","0.0791","0.0818","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236691","13.1915","0.0006","15.789","0.0008","22.2514","0.0013","90","","101.702","0.003","90","","4538.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)","","- C19 H16 Br4 Mo N2 O4 -","- C19 H16 Br4 Mo N2 O4 -","- C152 H128 Br32 Mo8 N16 O32 -","8","2","WM2668","Kargar, Hadi; Tahir, Muhammad Nawaz","Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molybdenum(VI)","Acta Crystallographica Section E","2012","68","10","m1297","m1298","10.1107/S1600536812039785","","","0.71073","MoKα","","0.1197","0.0483","","","0.0843","0.1011","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236692","8.9726","0.0007","10.0569","0.0008","18.3689","0.0015","82.573","0.001","83.802","0.001","82.222","0.001","1621.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Acetonitrile-1κN)[μ-N-(pyridin-2-ylcarbonyl)pyridine-2-\ carboxamidato-1:2κ^5^N,N',N'':O,O']\ [N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato- 2κ^3^N,N',N'']bis(trifluoromethanesulfonato-\ 1κO)dicopper(II)","","- C28 H19 Cu2 F6 N7 O10 S2 -","- C28 H19 Cu2 F6 N7 O10 S2 -","- C56 H38 Cu4 F12 N14 O20 S4 -","2","1","WM2669","Campos-Gaxiola, José J.; Morales-Morales, David; Höpfl, Herbert; Parra-Hake, Miguel; Reyes-Martínez, Reyna","Two coordination modes of Cu^II^ in a binuclear complex with N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate ligands","Acta Crystallographica Section E","2012","68","10","m1280","m1281","10.1107/S1600536812038330","","","0.71073","MoKα","","0.0352","0.0328","","","0.0856","0.0873","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236693","17.34","0.0009","19.4464","0.001","11.2787","0.0006","90","","96.634","0.003","90","","3777.7","0.3","293","2","293","2","","","","","","","","5","A 1 a 1","A -2ya","9","robertsite","Dicalcium trimanganese dioxide tris(phosphate) trihydrate","","- Ca2 H6 Mn3 O17 P3 -","- Ca2 Mn3 O17 P3 -","- Ca24 Mn36 O204 P36 -","12","3","WM2672","Andrade, Marcelo B.; Morrison, Shaunna M.; Di Domizio, Adrien J.; Feinglos, Mark N.; Downs, Robert T.","Robertsite, Ca~2~Mn^III^~3~O~2~(PO~4~)~3~·3H~2~O","Acta Crystallographica Section E","2012","68","10","i74","i75","10.1107/S160053681203735X","","","0.71073","MoKα","","0.0688","0.0449","","","0.0957","0.1066","","","","","","1.019","","","","has coordinates,has Fobs","287555","2023-11-12","10:38:26",""
"2236694","9.244","0.001","10.5285","0.0012","15.971","0.002","76.085","0.002","89.651","0.002","74.949","0.002","1454.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","(18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate(-I)","","- C30 H44 Fe K O6 -","- C30 H44 Fe K O6 -","- C60 H88 Fe2 K2 O12 -","2","1","WM2674","Brennessel, William W.; Ellis, John E.","(18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate({-}I)","Acta Crystallographica Section E","2012","68","10","m1230","m1231","10.1107/S160053681203704X","","","0.71073","MoKα","","0.0418","0.0311","","","0.069","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236695","16.1963","0.0008","18.9088","0.0008","21.1989","0.0011","90","","93.22","0.004","90","","6482","0.5","175","","175","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibutylammonium bis(hydrogen methylphosphonato-κO)triphenylstannate(IV)","","- C28 H43 N O6 P2 Sn -","- C28 H43 N O6 P2 Sn -","- C224 H344 N8 O48 P16 Sn8 -","8","2","WM2676","Diop, Tidiane; Diop, Libasse; Fall, Djibril; van der Lee, Arie","Dibutylammonium bis(hydrogen methylphosphonato-κO)triphenylstannate(IV)","Acta Crystallographica Section E","2012","68","10","m1284","m1285","10.1107/S1600536812038445","","","0.71073","MoKα","","0.1015","0.0672","","0.0791","0.0674","0.0674","","","","","","0.9916","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236696","12.53","0.004","6.3056","0.0018","8.562","0.003","90","","90","","90","","676.5","0.4","293","2","293","2","","","","","","","Christmas Mine, Gila County, Arizona, USA","5","A b a 2","A 2 -2ab","41","Junitoite","calcium dizinc disilicate monohydrate","Junitoite","- Ca H2 O8 Si2 Zn2 -","- Ca H2 O8 Si2 Zn2 -","- Ca4 H8 O32 Si8 Zn8 -","4","","WM2677","Yang, Hexiong; Jenkins, Neil G.; Downs, Robert T.","Redetermination of junitoite, CaZn~2~Si~2~O~7~·H~2~O","Acta Crystallographica Section E","2012","68","10","i73","i73","10.1107/S1600536812037622","","","0.71073","MoKα","","0.0189","0.0173","","","0.0426","0.0436","","","","","","1.066","","","","has coordinates,has Fobs","287670","2023-11-17","14:28:49",""
"2236697","11.6491","0.0005","4.9175","0.0002","4.6746","0.0002","90","","90","","90","","267.78","0.02","293","2","293","2","","","","","","","Yukspor Mountain, Khibiny Massif, Kola Peninsula, Russia","4","P m n 21","P 2ac -2","31","Clinobarylite","Barium diberyllium disilicate","Barylite","- Ba Be2 O7 Si2 -","- Ba Be2 O7 Si2 -","- Ba2 Be4 O14 Si4 -","2","0.5","WM2678","Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong","Redetermination of clinobarylite, BaBe~2~Si~2~O~7~","Acta Crystallographica Section E","2012","68","10","i78","i79","10.1107/S1600536812040457","","","0.71073","MoKα","","0.0114","0.011","","","0.0259","0.026","","","","","","1.078","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:40",""
"2236698","14.1153","0.0012","8.8505","0.0008","13.5704","0.0011","90","","111.761","0.002","90","","1574.5","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]","","- C8 H22 N2 O12 Zn -","- C8 H22 N2 O12 Zn -","- C32 H88 N8 O48 Zn4 -","4","0.5","WM2679","Jin, Shouwen; Huang, Yanfei; Wei, Shuaishuai; Zhou, Yong; Zhou, Yingping","Poly[diammonium [(μ~4~-butane-1,2,3,4-tetracarboxylato)zincate] tetrahydrate]","Acta Crystallographica Section E","2012","68","10","m1268","m1269","10.1107/S1600536812038883","","","0.71073","MoKα","","0.0656","0.0587","","","0.1483","0.1556","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236699","9.8405","0.0002","4.7502","0.0001","19.1008","0.0004","90","","90","","90","","892.85","0.03","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dibarium tritelluridocadmate","","- Ba2 Cd Te3 -","- Ba2 Cd Te3 -","- Ba8 Cd4 Te12 -","4","0.5","WM2681","Yang, Min; Xia, Sheng-Qing; Tao, Xu-Tang","Redetermination of Ba~2~CdTe~3~ from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","10","i77","","10.1107/S1600536812038974","","","0.71073","MoKα","","0.0393","0.0249","","","0.038","0.0406","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236700","18.6794","0.0004","7.5317","0.0002","21.9757","0.0005","90","","90","","90","","3091.71","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(benzene-1,2-diamine-κ^2^N,N')(sulfato-κO)copper(II) monohydrate","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5 S -","- C96 H128 Cu8 N32 O40 S8 -","8","1","WM2682","Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa","Bis(benzene-1,2-diamine-κ^2^N,N')(sulfato-κO)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","11","m1411","m1412","10.1107/S1600536812041967","","","0.71073","MoKα","","0.047","0.0343","","","0.09","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236701","7.045","0.0007","13.1609","0.0014","12.5545","0.0012","90","","101.153","0.008","90","","1142.1","0.2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[(μ-anilido)(μ-1,2-dimethoxyethane- κ^3^-O,O':O)sodium]","","- C10 H16 N Na O2 -","- C10 H16 N Na O2 -","- C40 H64 N4 Na4 O8 -","4","1","WM2683","Liebing, Phil; Wagner, Christoph; Merzweiler, Kurt","catena-Poly[(μ-anilido)(μ-1,2-dimethoxyethane-κ^3^-O,O':O)sodium]","Acta Crystallographica Section E","2012","68","10","m1315","","10.1107/S1600536812040500","","","0.71073","MoKα","","0.0526","0.0326","","","0.0746","0.0783","","","","","","0.852","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236702","9.9371","0.0004","10.3072","0.0004","10.444","0.0005","99.624","0.004","90.54","0.003","97.895","0.004","1044.09","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one-κ^3^O: O',O'')]diaquatetrakis(pyridine-κN)dicopper(II) diperchlorate","","- C36 H38 Cl2 Cu2 N4 O18 -","- C36 H38 Cl2 Cu2 N4 O18 -","- C36 H38 Cl2 Cu2 N4 O18 -","1","0.5","WM2685","Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra; Daran, Jean-Claude","Bis[μ-(3-acetyl-2-hydroxy-6-methyl-4H-pyran-4-one-κ^3^O:O',O'')]diaquatetrakis(pyridine-κN)dicopper(II) diperchlorate","Acta Crystallographica Section E","2012","68","11","m1356","m1357","10.1107/S1600536812041608","","","0.71073","MoKα","","0.0656","0.0537","","","0.1351","0.1397","","","","","","1.123","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236703","8.7443","0.0017","18.144","0.004","16.643","0.003","90","","99.23","0.03","90","","2606.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κN,O:O) -dichlorido(ethanol-κO)bis[N-hydroxy-1-(pyridin-2-yl)methanimine- κ^2^N,N']dicobalt(II)","","- C20 H22 Cl3 Co2 N5 O5 -","- C20 H22 Cl3 Co2 N5 O5 -","- C80 H88 Cl12 Co8 N20 O20 -","4","1","WM2687","Chen, Lei","(μ~2~-Chlorido)-(μ~2~-pyridine-2-carboxylato-1:2κN,O:O)-dichlorido(ethanol-κO)bis[N-hydroxy-1-(pyridin-2-yl)methanimine-κ^2^N,N']dicobalt(II)","Acta Crystallographica Section E","2012","68","11","m1365","m1366","10.1107/S1600536812041736","","","0.71073","MoKα","","0.0684","0.0355","","","0.1226","0.1652","","","","","","1.181","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236704","4.966","0.002","4.966","0.002","24.37","0.01","90","","90","","120","","520.5","0.4","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Disprosium trinickel","","- Dy Ni3 -","- Dy Ni3 -","- Dy9 Ni27 -","9","0.25","WM2688","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Redetermination of dysprosium trinickel from single-crystal X-ray data","Acta Crystallographica Section E","2012","68","11","i83","","10.1107/S1600536812043747","","","0.71069","MoKα","","0.0302","0.0224","","","0.0423","0.0434","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236705","6.5789","0.0005","8.5071","0.0006","7.0212","0.0005","90","","115.447","0.004","90","","354.83","0.05","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Durangite","Sodium aluminium arsenate fluoride","","- Al0.91 As F0.73 Fe0.09 H0.27 Li0.05 Na0.95 O4.27 -","- Al0.91 As F0.73 Fe0.09 Li0.05 Na0.95 O4.27 -","- Al3.64 As4 F2.92 Fe0.36 Li0.2 Na3.8 O17.08 -","4","0.5","WM2690","Downs, Gordon W.; Yang, Betty N.; Thompson, Richard M.; Wenz, Michelle D.; Andrade, Marcelo B.","Redetermination of durangite, NaAl(AsO~4~)F","Acta Crystallographica Section E","2012","68","11","i86","i87","10.1107/S160053681204384X","","","0.71073","MoKα","","0.0126","0.0125","","","0.0325","0.0326","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236706","11.8847","0.0002","18.2884","0.0003","15.3949","0.0002","90","","107.38","0.001","90","","3193.35","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[dibutylammonium [nonamethylbis(μ~3~-sulfato- κ^3^O:O':O'')tristannate(IV)]]","","- C17 H47 N O8 S2 Sn3 -","- C17 H47 N O8 S2 Sn3 -","- C68 H188 N4 O32 S8 Sn12 -","4","1","WM2692","Diop, Tidiane; Diop, Libasse; van der Lee, Arie","Poly[dibutylammonium [nonamethylbis(μ~3~-sulfato-κ^3^O:O':O'')tristannate(IV)]]","Acta Crystallographica Section E","2012","68","11","m1380","m1381","10.1107/S1600536812042894","","","0.71073","MoKα","","0.0278","0.0202","","","0.0411","0.0445","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236707","8.9008","0.0006","11.2078","0.0006","16.5565","0.0009","90","","102.147","0.006","90","","1614.67","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Bis[4-amino-N-(pyrimidin-2-yl- κN)benzenesulfonamidato-κN]bis(N,N- dimethylformamide-κO)cobalt(II)","","- C26 H32 Co N10 O6 S2 -","- C26 H32 Co N10 O6 S2 -","- C52 H64 Co2 N20 O12 S4 -","2","0.5","WM2693","Guo, Jing Jing; Wang, Wei; Zhang, Yi Dong; Yang, Li; Zhang, Shu Hua","trans-Bis[4-amino-N-(pyrimidin-2-yl-κN)benzenesulfonamidato-κN]bis(N,N-dimethylformamide-κO)cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1398","m1399","10.1107/S160053681204336X","","","0.71073","MoKα","","0.0482","0.0399","","","0.0901","0.0954","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236708","14.1389","0.0019","10.3358","0.0015","11.3552","0.0015","90","","103.426","0.008","90","","1614.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","WN2484","Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad","2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one","Acta Crystallographica Section E","2012","68","9","o2637","","10.1107/S1600536812033442","","","0.71073","MoKα","","0.1699","0.0624","","","0.1183","0.1588","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236709","9.774","0.005","10.698","0.005","21.578","0.005","90","0.005","93.735","0.005","90","0.005","2251.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,2'-[(4-Ethoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","WN2485","Sureshbabu, N.; Sughanya, V.","2,2'-[(4-Ethoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2012","68","9","o2638","","10.1107/S1600536812033934","","","0.71073","MoKα","","0.0568","0.0416","","","0.1095","0.1221","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236710","7.1775","0.0011","8.1099","0.0013","12.49","0.002","103.529","0.015","91.933","0.014","106.971","0.014","672","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","Dihydropyrimidin-2(1H)-thione","1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin- 5-yl]ethanone","","- C13 H13 F N2 O S -","- C13 H13 F N2 O S -","- C26 H26 F2 N4 O2 S2 -","2","1","WN2486","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Butcher, R. J.","1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2625","","10.1107/S1600536812033727","","","1.54184","CuKα","","0.0937","0.0796","","","0.2198","0.2327","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236711","26.8413","0.0005","9.5657","0.0002","12.0764","0.0002","90","","90.37","0.002","90","","3100.62","0.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dihydropyrimidin-2(1H)-thione","1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4- tetrahydropyrimidin-5-yl]ethanone","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C128 H160 N16 O8 S8 -","8","1","WN2487","Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Falola, Oluwaseun O.; Butcher, R.J.","1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2641","","10.1107/S1600536812034046","","","1.54184","CuKα","","0.0449","0.0414","","","0.1095","0.1134","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236712","7.4057","0.0009","5.91","0.0007","25.165","0.003","90","","93.402","0.003","90","","1099.5","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2-phenyl-1,3-benzothiazole","","- C13 H8 Cl N S -","- C13 H8 Cl N S -","- C52 H32 Cl4 N4 S4 -","4","1","WN2488","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmed, Shakil","5-Chloro-2-phenyl-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","9","o2799","","10.1107/S1600536812036057","","","0.71073","MoKα","","0.0426","0.0347","","","0.0871","0.0928","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236713","8.323","0.005","10.002","0.005","30.068","0.005","90","","90","","90","","2503","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[4-(1H-1,2,4-Triazol-1-yl)phenyl]-1H-benzimidazole","","- C15 H11 N5 -","- C15 H11 N5 -","- C120 H88 N40 -","8","1","XU5598","Cheng, Long-Huai; Zheng, Zheng; Han, Zhi-Li; Wu, Zhi-Chao; Zhou, Hong-Ping","2-[4-(1H-1,2,4-Triazol-1-yl)phenyl]-1H-benzimidazole","Acta Crystallographica Section E","2012","68","10","o2890","","10.1107/S1600536812037816","","","0.71069","MoKα","","0.0743","0.049","","","0.1462","0.1711","","","","","","1.147","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236714","8.1617","0.0002","18.3365","0.0004","9.7047","0.0003","90","","103.573","0.003","90","","1411.81","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN^1^)copper(II)","","- C26 H24 Cu I2 N4 O8 -","- C26 H24 Cu I2 N4 O8 -","- C52 H48 Cu2 I4 N8 O16 -","2","0.5","XU5599","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN^1^)copper(II)","Acta Crystallographica Section E","2012","68","9","m1162","m1163","10.1107/S1600536812034587","","","0.71073","MoKα","","0.023","0.0212","","","0.0574","0.0582","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236715","7.6268","0.0009","18.277","0.002","15.1626","0.0018","90","","96.948","0.002","90","","2098.1","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-Dibromidobis(2-phenylpyridine-κN)platinum(II)","","- C22 H18 Br2 N2 Pt -","- C22 H18 Br2 N2 Pt -","- C88 H72 Br8 N8 Pt4 -","4","1","XU5600","Ha, Kwang","cis-Dibromidobis(2-phenylpyridine-κN)platinum(II)","Acta Crystallographica Section E","2012","68","9","m1169","","10.1107/S160053681203471X","","","0.71073","MoKα","","0.0347","0.0276","","","0.0626","0.068","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236716","12.3996","0.0002","21.0115","0.0004","26.7059","0.0005","90","","90","","90","","6957.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[{1-[(E)-phenyl(pyridin-2-yl- κN)methylidene]semicarbazidato-κ^2^N^1^,O}copper(II)]- μ-dicyanamido-κ^2^N^1^:N^5^] monohydrate]","","- C15 H13 Cu N7 O2 -","- C15 H13 Cu N7 O2 -","- C240 H208 Cu16 N112 O32 -","16","2","XU5601","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","catena-Poly[[[{1-[(E)-phenyl(pyridin-2-yl-κN)methylidene]semicarbazidato-κ^2^N^1^,O}copper(II)]-μ-dicyanamido-κ^2^N^1^:N^5^] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1176","","10.1107/S1600536812035283","","","0.71073","MoKα","","0.0933","0.0497","","","0.1263","0.1664","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236717","7.1265","0.0009","9.5249","0.0014","18.654","0.002","90","","97.24","0.004","90","","1256.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ-2-[(pyrazin-2-yl- κ^2^N^1^:N^4^)aminomethyl]phenol] nitrate]","","- C11 H11 Ag N4 O4 -","- C11 H11 Ag N4 O4 -","- C44 H44 Ag4 N16 O16 -","4","1","XU5602","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","catena-Poly[[silver(I)-μ-2-[(pyrazin-2-yl-κ^2^N^1^:N^4^)aminomethyl]phenol] nitrate]","Acta Crystallographica Section E","2012","68","9","m1171","","10.1107/S1600536812034769","","","0.71073","MoKα","","0.0651","0.0426","","","0.1074","0.1252","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236718","13.9414","0.0014","7.6013","0.0008","13.8261","0.0015","90","","113.011","0.002","90","","1348.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3H-indol-1-ium-1-yl)butyl]- 3H-indol-1-ium diiodide","","- C26 H34 I2 N2 -","- C26 H34 I2 N2 -","- C52 H68 I4 N4 -","2","0.5","XU5603","Wu, Di; Shen, Li-Xia; Niu, Yun-Yin; Ng, Seik Weng","2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3H-indol-1-ium-1-yl)butyl]-3H-indol-1-ium diiodide","Acta Crystallographica Section E","2012","68","9","o2714","","10.1107/S1600536812035234","","","0.71073","MoKα","","0.0328","0.0268","","","0.0824","0.087","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236719","10.054","0.002","12.329","0.003","13.908","0.003","99.77","0.03","92.17","0.03","95.98","0.03","1687","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyclohexylaminium) 2-carboxymethyl-2-hydroxysuccinate ethanol monosolvate","","- C32 H60 N2 O8 -","- C32 H60 N2 O8 -","- C64 H120 N4 O16 -","2","1","XU5604","Foroughian, Mahsa; Notash, Behrouz; Shafiee, Abbas; Aghabozorg, Hossein; Foroumadi, Alireza","Bis(dicyclohexylaminium) 2-carboxymethyl-2-hydroxysuccinate ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2792","o2793","10.1107/S1600536812035684","","","0.71073","MoKα","","0.0889","0.0626","","","0.1257","0.1362","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236720","7.3661","0.0004","9.5504","0.0005","12.8501","0.0007","90","","90","","90","","903.99","0.08","135","0.1","135","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyrrolidine-2,5-dione","","- C4 H5 N O2 -","- C4 H5 N O2 -","- C32 H40 N8 O16 -","8","1","XU5605","Yu, Min; Huang, Xing; Gao, Feng","Pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","9","o2738","","10.1107/S1600536812035672","","","0.7107","MoKα","","0.0506","0.0392","","","0.0891","0.0969","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236721","13.6224","0.0003","4.1923","0.0002","10.218","0.0003","90","","90","","90","","583.54","0.04","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)]","","- C12 H6 N2 O4 Pb -","- C12 H6 N2 O4 Pb -","- C24 H12 N4 O8 Pb2 -","2","0.5","XU5606","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Çevik, Sabri; Necefoğlu, Hacali; Hökelek, Tuncer","Poly[(μ~5~-2,2'-bipyridine-5,5'-dicarboxylato)lead(II)]","Acta Crystallographica Section E","2012","68","9","m1196","m1197","10.1107/S1600536812035647","","","0.71073","MoKα","","0.0191","0.0186","","","0.0544","0.0549","","","","","","1.24","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236722","27.1839","0.0015","10.2809","0.0005","18.7045","0.0011","90","","107.92","0.01","90","","4973.8","0.5","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'- dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","","- C30 H27 F2 N3 O2 -","- C30 H27 F2 N3 O2 -","- C240 H216 F16 N24 O16 -","8","2","XU5607","Swamy, V. Rajni; Ramaswamy, S.; Srinivasan, N.; Kumar, R. Ranjith; Krishnakumar, R.V.","5-(4-Fluorobenzylidene)-4'-(4-fluorophenyl)-1,1'-dimethyldispiro[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione","Acta Crystallographica Section E","2012","68","10","o2839","o2840","10.1107/S1600536812037245","","","0.71073","MoKα","","0.0564","0.0381","","","0.0907","0.1","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236723","4.483","0.006","12.521","0.018","13.71","0.02","90","","90","","90","","769.6","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Chloromethyl-2-hydroxybenzaldehyde","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","XU5608","Fu, Wei-Wei","3-Chloromethyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2012","68","10","o2928","","10.1107/S1600536812038421","","","0.71073","MoKα","","0.0619","0.0334","","","0.1108","0.133","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236724","10.3684","0.0002","15.0571","0.0003","10.0976","0.0002","90","","103.832","0.002","90","","1530.7","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-(3-aminopyridine)-κ^2^N:N'-μ-chlorido- chlorido(N,N'-dimethylformamide-κO)nickel(II)] N,N'-dimethylformamide monosolvate]","","- C11 H20 Cl2 N4 Ni O2 -","- C11 H20 Cl2 N4 Ni O2 -","- C44 H80 Cl8 N16 Ni4 O8 -","4","1","XU5609","Yeh, Chun-Wei; Jou, Chi-Hsiung; Tsou, Chi-Hui; Suen, Maw-Cherng","Poly[[μ-(3-aminopyridine)-κ^2^N:N'-μ-chlorido-chlorido(N,N'-dimethylformamide-κO)nickel(II)] N,N'-dimethylformamide monosolvate]","Acta Crystallographica Section E","2012","68","9","m1204","m1205","10.1107/S1600536812036215","","","0.71073","MoKα","","0.0313","0.0248","","","0.0569","0.0579","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236725","11.8413","0.0006","14.2791","0.0007","13.5751","0.0006","90","","102.501","0.002","90","","2240.9","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^N^1^,O]- 5-methoxyphenolato-κO^1^}chloridocopper(II)","","- C9 H10 Cl Cu N3 O3 -","- C9 H10 Cl Cu N3 O3 -","- C72 H80 Cl8 Cu8 N24 O24 -","8","2","XU5610","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","{2-[(2-Carbamoylhydrazin-1-ylidene)methyl-κ^2^N^1^,O]-5-methoxyphenolato-κO^1^}chloridocopper(II)","Acta Crystallographica Section E","2012","68","9","m1194","","10.1107/S160053681203574X","","","0.71073","MoKα","","0.0725","0.0402","","","0.0939","0.1097","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236726","11.2462","0.0012","7.2344","0.001","18.519","0.002","90","","96.653","0.005","90","","1496.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-azido-κ^4^N^1^:N^1'^-bis({1-[(E)-phenyl(pyridin- 2-yl-κN)methylidene]thiosemicarbazidato- κ^2^N^1^,S}copper(II))","","- C26 H22 Cu2 N14 S2 -","- C26 H22 Cu2 N14 S2 -","- C52 H44 Cu4 N28 S4 -","2","0.5","XU5611","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","Di-μ-azido-κ^4^N^1^:N^1'^-bis({1-[(E)-phenyl(pyridin-2-yl-κN)methylidene]thiosemicarbazidato-κ^2^N^1^,S}copper(II))","Acta Crystallographica Section E","2012","68","9","m1195","","10.1107/S1600536812035751","","","0.71073","MoKα","","0.0587","0.0448","","","0.1218","0.1337","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236727","8.734","0.0017","9.871","0.002","15","0.003","76.14","0.03","83.91","0.03","83.09","0.03","1242.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 3,3'-(phenylmethylene)bis(1H-indole-2-carboxylate)","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C58 H52 N4 O8 -","2","1","XU5612","Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Xu, Hong; Zhang, Ji-Dong","Diethyl 3,3'-(phenylmethylene)bis(1H-indole-2-carboxylate)","Acta Crystallographica Section E","2012","68","9","o2764","","10.1107/S1600536812036239","","","0.71073","MoKα","","0.1013","0.0587","","","0.1283","0.1444","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236728","7.8102","0.0012","30.032","0.005","8.2054","0.0013","90","","103.739","0.002","90","","1869.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorobenzoyl)-6-(4-chlorophenyl)-2,4-dimethylbenzonitrile","","- C22 H15 Cl2 N O -","- C22 H15 Cl2 N O -","- C88 H60 Cl8 N4 O4 -","4","1","XU5613","Wang, Xin; Zhang, Yi-Min; Jia, Xue-Fei","3-(4-Chlorobenzoyl)-6-(4-chlorophenyl)-2,4-dimethylbenzonitrile","Acta Crystallographica Section E","2012","68","9","o2787","","10.1107/S1600536812036409","","","0.71073","MoKα","","0.1018","0.0472","","","0.0928","0.1205","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236729","9.7188","0.0016","10.8189","0.0018","11.5132","0.0019","75.5","0.003","68.681","0.003","84.315","0.003","1091.8","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","3-(9H-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one","","- C29 H24 O -","- C29 H24 O -","- C58 H48 O2 -","2","1","XU5614","Hu, Wei-Bing; Cui, Zhi-Cai; Liu, Xin-Ping; Feng, Fu","3-(9H-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one","Acta Crystallographica Section E","2012","68","9","o2820","","10.1107/S1600536812036847","","","0.71073","MoKα","","0.0724","0.0486","","","0.128","0.1382","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236730","16.4392","0.0005","7.2726","0.0002","15.8433","0.0005","90","","108.652","0.001","90","","1794.67","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclohexyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C88 H96 O8 S4 -","4","1","XU5615","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","10","o2836","","10.1107/S1600536812037294","","","0.71073","MoKα","","0.0827","0.0635","","","0.1879","0.2041","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236731","8.1685","0.0016","10.452","0.002","12.231","0.002","69.58","0.03","79.94","0.03","72.42","0.03","930.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Acetato-κ^2^O,O')(acetato-κO)bis(2-amino-3- methylpyridine-κN^1^)cobalt(II)","","- C16 H22 Co N4 O4 -","- C16 H22 Co N4 O4 -","- C32 H44 Co2 N8 O8 -","2","1","XU5616","Tadjarodi, Azadeh; Bijanzad, Keyvan; Notash, Behrouz","(Acetato-κ^2^O,O')(acetato-κO)bis(2-amino-3-methylpyridine-κN^1^)cobalt(II)","Acta Crystallographica Section E","2012","68","10","m1260","m1261","10.1107/S1600536812038664","","","0.71073","MoKα","","0.113","0.051","","","0.0822","0.0955","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236732","8.2667","0.0004","12.9008","0.0007","13.5579","0.0008","84.047","0.005","77.566","0.005","71.684","0.005","1339.45","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-(Naphthalene-2-carboxamido)pyridin-1-ium thiocyanate‒ N-(pyridin-4-yl)naphthalene-2-carboxamide (1/1)","","- C33 H25 N5 O2 S -","- C33 H25 N5 O2 S -","- C66 H50 N10 O4 S2 -","2","1","XU5617","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","4-(Naphthalene-2-carboxamido)pyridin-1-ium thiocyanate‒N-(pyridin-4-yl)naphthalene-2-carboxamide (1/1)","Acta Crystallographica Section E","2012","68","10","o3002","","10.1107/S1600536812039864","","","1.54178","CuKα","","0.0518","0.047","","","0.1321","0.1369","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236733","10.1103","0.0007","11.702","0.0008","15.706","0.0011","71.54","0.03","75.05","0.03","71.37","0.03","1644.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Diphenylphosphanyl-1,5-naphthyridine","","- C20 H15 N2 P -","- C20 H15 N2 P -","- C80 H60 N8 P4 -","4","2","XU5619","Wu, Ya-Ming","4-Diphenylphosphanyl-1,5-naphthyridine","Acta Crystallographica Section E","2012","68","10","o3011","","10.1107/S1600536812039992","","","0.71073","MoKα","","0.0694","0.0473","","","0.1331","0.1511","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236734","10.7893","0.0007","10.873","0.0006","9.2407","0.0006","90","","109.022","0.007","90","","1024.85","0.12","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene","","- C14 H16 -","- C14 H16 -","- C56 H64 -","4","1","XU5620","Tsai, Hsing-Yang; Luo, Ming-Hui; Lin, Wei-Chi; Chang, Che-Wei; Chen, Kew-Yu","Pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene","Acta Crystallographica Section E","2012","68","10","o2945","","10.1107/S1600536812038780","","","0.71073","MoKα","","0.0742","0.0534","","","0.1483","0.1574","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236735","7.5523","0.0008","8.4635","0.0009","17.5004","0.0017","103.282","0.007","91.659","0.007","108.382","0.007","1026.89","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-Dimethylphenyl)-4-methyl-N-(4- methylphenylsulfonyl)benzenesulfonamide","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C44 H46 N2 O8 S4 -","2","1","XU5622","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","N-(2,3-Dimethylphenyl)-4-methyl-N-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o3013","","10.1107/S1600536812039773","","","0.71073","MoKα","","0.13","0.0548","","","0.1035","0.129","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236736","11.8883","0.0003","13.3578","0.0003","23.9669","0.0006","90","","98.596","0.001","90","","3763.23","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1-{(E)-[Phenyl(pyridin-2-yl-κN)methylidene]amino- κN}pyrrolidin-2-one-κO)bis(thiocyanato-κN)copper(II)","","- C18 H15 Cu N5 O S2 -","- C18 H15 Cu N5 O S2 -","- C144 H120 Cu8 N40 O8 S16 -","8","1","XU5623","Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng","(1-{(E)-[Phenyl(pyridin-2-yl-κN)methylidene]amino-κN}pyrrolidin-2-one-κO)bis(thiocyanato-κN)copper(II)","Acta Crystallographica Section E","2012","68","10","m1302","","10.1107/S1600536812039918","","","0.71073","MoKα","","0.0806","0.0643","","","0.1608","0.1686","","","","","","1.159","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236737","13.0169","0.0006","8.5548","0.0003","15.9964","0.0008","90","","93.393","0.004","90","","1778.19","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Trichlorido(6-methyl-2,2'-bipyridine-κ^2^N,N')(dimethyl sulfoxide-κO)indium (III)","","- C13 H16 Cl3 In N2 O S -","- C13 H16 Cl3 In N2 O S -","- C52 H64 Cl12 In4 N8 O4 S4 -","4","1","XU5625","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Golabi, Elyas; Gholamzadeh, Mohammad Amin","Trichlorido(6-methyl-2,2'-bipyridine-κ^2^N,N')(dimethylsulfoxide-κO)indium(III)","Acta Crystallographica Section E","2012","68","11","m1327","m1328","10.1107/S1600536812041049","","","0.71073","MoKα","","0.0468","0.0334","","","0.0721","0.0757","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236738","5.0913","0.001","11.769","0.002","12.268","0.003","91.058","0.016","94.541","0.016","101.648","0.015","717.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-(2-Phenoxyphenyl)pyrazine-2-carboxamide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C34 H26 N6 O4 -","2","1","XU5626","Noroozi Tisseh, Mehri; Kargar Razi, Maryam; Khavasi, Hamid Reza","N-(2-Phenoxyphenyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2012","68","11","o3161","","10.1107/S1600536812041050","","","0.71073","MoKα","","0.0984","0.0618","","","0.1209","0.1324","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236739","9.8457","0.0005","10.0057","0.0005","12.5185","0.0006","72.413","0.005","78.428","0.004","89.129","0.004","1150.34","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-(3,5-Dinitrobenzoyl)-1,1-dimethylthiourea‒N,N-dimethyl- 3,5-dinitrobenzamide (1/1)","","- C19 H19 N7 O10 S -","- C19 H19 N7 O10 S -","- C38 H38 N14 O20 S2 -","2","1","XU5627","Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan","A co-crystal of 3-(3,5-dinitrobenzoyl)-1,1-dimethylthiourea and N,N-dimethyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","11","o3108","","10.1107/S1600536812041864","","","1.54184","CuKα","","0.0456","0.0408","","","0.1084","0.1132","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236740","13.589","0.0006","8.616","0.0003","13.9435","0.0006","90","","116.738","0.006","90","","1457.98","0.13","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-Hydroxyindan-1-one","","- C9 H8 O2 -","- C9 H8 O2 -","- C72 H64 O16 -","8","1","XU5628","Chang, Che-Wei; Fang, Sin-Kai; Luo, Ming-Hui; Tsai, Hsing-Yang; Chen, Kew-Yu","4-Hydroxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3097","","10.1107/S1600536812041669","","","0.71073","MoKα","","0.057","0.0399","","","0.11","0.115","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236741","7.655","0.0006","10.2577","0.0009","18.003","0.0016","90","","95.779","0.007","90","","1406.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","","- C12 H12 Br2 Co N2 -","- C12 H12 Br2 Co N2 -","- C48 H48 Br8 Co4 N8 -","4","1","XU5630","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Dibromido(6,6'-dimethyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1363","","10.1107/S1600536812041980","","","0.71073","MoKα","","0.0879","0.0451","","","0.0807","0.0894","","","","","","0.95","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236742","7.0314","0.0014","7.3569","0.0015","11.564","0.002","86.41","0.03","77.75","0.03","64.8","0.03","528.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaquabis(6-chloropyridine-3-carboxylato-κO)cobalt(II) tetrahydrate","","- C12 H22 Cl2 Co N2 O12 -","- C12 H22 Cl2 Co N2 O12 -","- C12 H22 Cl2 Co N2 O12 -","1","0.5","XU5631","Xia, Qiao-Hua; Zhang, Yue; Liu, Li; Shi, Lin-Fang; Li, Bing","Tetraaquabis(6-chloropyridine-3-carboxylato-κO)cobalt(II) tetrahydrate","Acta Crystallographica Section E","2012","68","11","m1394","","10.1107/S160053681204319X","","","0.71073","MoKα","","0.0355","0.0292","","","0.0709","0.0848","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236743","7.3596","0.0005","16.4625","0.001","11.2599","0.0006","90","","94.955","0.005","90","","1359.12","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[(E)-{[4-nitro-2-(trifluoromethyl)phenyl]imino}methyl]phenol","","- C14 H8 Br F3 N2 O3 -","- C14 H8 Br F3 N2 O3 -","- C56 H32 Br4 F12 N8 O12 -","4","1","XU5632","Akkurt, Mehmet; Kennedy, Alan R.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Miller, Gary J.","4-Bromo-2-[(E)-{[4-nitro-2-(trifluoromethyl)phenyl]imino}methyl]phenol","Acta Crystallographica Section E","2012","68","11","o3168","","10.1107/S1600536812042262","","","0.71073","MoKα","","0.0895","0.0501","","","0.077","0.09","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236744","10.286","0.002","15.034","0.003","9.621","0.002","90","","109.022","0.004","90","","1406.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dichloro-3,6-diisopropylcyclohexa-2,5-diene-1,4-dione","","- C12 H14 Cl2 O4 -","- C12 H14 Cl2 O4 -","- C48 H56 Cl8 O16 -","4","0.5","YK2064","Li, Ping; Wang, Hai; Dong, Jian; Chen, Hong-Yu","2,5-Dichloro-3,6-diisopropylcyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section E","2012","68","9","o2672","","10.1107/S1600536812032886","","","0.71069","MoKα","","0.1001","0.0591","","","0.1763","0.1983","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236745","12.1028","0.0005","16.3934","0.0007","7.0962","0.0003","90","","90","","90","","1407.93","0.1","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C64 H52 N12 O8 S4 -","4","1","YK2066","Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood","4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide","Acta Crystallographica Section E","2012","68","9","o2615","o2616","10.1107/S1600536812033284","","","0.71073","MoKα","","0.0556","0.0485","","","0.1045","0.1118","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236746","4.973","0.0004","13.5721","0.0012","24.907","0.002","90","","90.921","0.004","90","","1680.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[(E)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4- methoxybenzohydrazide monohydrate","","- C16 H17 Br N2 O5 -","- C16 H17 Br N2 O5 -","- C64 H68 Br4 N8 O20 -","4","1","YK2067","Reshma, P. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-5-Bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","10","o2821","o2822","10.1107/S1600536812033806","","","0.71073","MoKα","","0.0513","0.035","","","0.0875","0.0942","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236747","12.8518","0.0009","7.8501","0.0005","24.1316","0.0018","90","","101.593","0.003","90","","2384.9","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Hydroxy-2-{(E)-[(3-nitrophenyl)iminio]methyl}phenolate","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C104 H80 N16 O32 -","8","1","YK2068","Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed","5-Hydroxy-2-{(E)-[(3-nitrophenyl)iminio]methyl}phenolate","Acta Crystallographica Section E","2012","68","9","o2622","","10.1107/S1600536812033740","","","0.71073","MoKα","","0.0577","0.0384","","","0.0922","0.1046","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236748","13.027","0.0009","10.1183","0.0006","7.7159","0.0005","90","","91.974","0.003","90","","1016.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine","","- C9 H6 Cl2 N2 S -","- C9 H6 Cl2 N2 S -","- C36 H24 Cl8 N8 S4 -","4","1","YK2069","Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Ullah, Fateh; Tariq, Muhammad Ilyas","N-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine","Acta Crystallographica Section E","2012","68","9","o2704","","10.1107/S1600536812035301","","","0.71073","MoKα","","0.0339","0.0286","","","0.0759","0.0799","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2236749","18.6899","0.0006","14.4941","0.0004","16.7485","0.0005","90","","95.266","0.002","90","","4517.9","0.2","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl- 2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate","","- C91 H94 N16 O9 -","- C91 H94 N16 O9 -","- C182 H188 N32 O18 -","2","0.25","YK2072","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate","Acta Crystallographica Section E","2012","68","10","o2991","o2992","10.1107/S1600536812039736","","","0.71073","MoKα","","0.0595","0.0469","","","0.1264","0.1381","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236750","12.1757","0.0013","10.6173","0.0011","17.5211","0.0014","90","","128.098","0.005","90","","1782.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-(Dimethylamino)phenyl]diphenylphosphine selenide","","- C20 H20 N P Se -","- C20 H20 N P Se -","- C80 H80 N4 P4 Se4 -","4","1","YK2075","Davis, Wade L.; Muller, Alfred","[4-(Dimethylamino)phenyl]diphenylphosphine selenide","Acta Crystallographica Section E","2012","68","11","o3153","o3154","10.1107/S1600536812042602","","","0.71073","MoKα","","0.0475","0.036","","","0.0923","0.0968","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236751","10.8832","0.0006","12.5712","0.0007","16.0206","0.0008","98.867","0.001","100.517","0.001","114.056","0.001","1903.04","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Iodido[1-(propan-2-ylidene)thiosemicarbazide- κS]bis(triphenylphosphane-κP)copper(I)","","- C40 H39 Cu I N3 P2 S -","- C40 H39 Cu I N3 P2 S -","- C80 H78 Cu2 I2 N6 P4 S2 -","2","1","ZB2025","Wattanakanjana, Yupa; Pakawatchai, Chaveng; Saithong, Saowanit; Piboonphon, Prapaporn; Nimthong, Ruthairat","Iodido[1-(propan-2-ylidene)thiosemicarbazide-κS]bis(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2012","68","11","m1417","m1418","10.1107/S1600536812044066","","","0.71073","MoKα","","0.0456","0.0356","","","0.0794","0.0835","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236752","5.6859","0.0003","7.7535","0.0005","19.9045","0.0016","81.333","0.004","84.152","0.004","87.66","0.004","862.68","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(10E,12E,14E)-9,16-Dioxooctadeca-10,12,14-trienoic acid","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","ZJ2081","Bréant, Lise; Vonthron-Sénécheau, Catherine; Brelot, Lydia; Lobstein, Annelise","(10E,12E,14E)-9,16-Dioxooctadeca-10,12,14-trienoic acid","Acta Crystallographica Section E","2012","68","9","o2624","","10.1107/S1600536812027870","","","0.71073","MoKα","","0.0962","0.0647","","","0.1652","0.1892","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236753","10.401","0.002","7.028","0.0014","17.106","0.003","90","","90","","90","","1250.4","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","N-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","","- C11 H12 Cl N2 O3 -","- C11 H12 Cl N2 O3 -","- C44 H48 Cl4 N8 O12 -","4","0.5","ZJ2083","Zhang, Feng; Fang, Zheng; Zou, Bao-Hua; Kai, Guo","N-(5-Chloro-2-nitrophenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2012","68","9","o2771","","10.1107/S1600536812027730","","","0.71073","MoKα","","0.1274","0.0636","","","0.1492","0.179","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236754","10.2028","0.0007","11.9126","0.0009","17.0553","0.0017","101.563","0.004","99.11","0.004","113.808","0.002","1790.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-N-(2-phenylethyl)-2-propyl-1H-benzimidazole- 6-carboxamide","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C80 H92 N12 O4 -","4","2","ZJ2085","Wang, Jin-Liang; Yu, Wei-Fa","4-Methyl-N-(2-phenylethyl)-2-propyl-1H-benzimidazole-6-carboxamide","Acta Crystallographica Section E","2012","68","10","o2824","","10.1107/S1600536812036707","","","0.71073","MoKα","","0.074","0.0485","","","0.1295","0.1553","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236755","14.2134","0.0004","10.2802","0.0002","24.2786","0.0007","90","","90","","90","","3547.51","0.16","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2- methylphenyl)prop-2-en-1-one","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C152 H152 Cl8 O40 -","8","1","ZJ2087","Patel, U. H.; Gandhi, S. A.; Barot, V. M.; Patel, M. C.","3-(2-Chloro-3-hydroxy-4-methoxyphenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2926","o2927","10.1107/S1600536812038275","","","0.71073","MoKα","","0.0501","0.0339","","","","0.0981","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236756","13.308","0.002","6.1629","0.0007","15.285","0.002","90","","100.8","0.01","90","","1231.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitro-N-phenylbenzenesulfonamide","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","ZJ2090","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","2-Nitro-N-phenylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2651","","10.1107/S1600536812034265","","","0.71073","MoKα","","0.0485","0.0348","","","0.0904","0.096","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236757","18.469","0.004","5.9596","0.0012","19.274","0.004","90","","99.079","0.003","90","","2094.9","0.8","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Phenylcoumarin","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","ZJ2091","Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio","3-Phenylcoumarin","Acta Crystallographica Section E","2012","68","9","o2645","","10.1107/S1600536812034277","","","0.7107","MoKα","","0.057","0.0402","","","0.0953","0.1042","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236758","5.2176","0.0001","10.3422","0.0001","14.9135","0.0002","90","","97.206","0.001","90","","798.4","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-Diethoxy-4,4'-[(E,E)- hydrazinediylidenebis(methanylylidene)]diphenol","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","ZJ2092","Al-Mehana, Wisam Naji Atiyah; Yahya, Rosiyah; Sonsudin, Faridah; Al-Mehana, Ihsan Naji Atiyah; Lo, Kong Mun","2,2'-Diethoxy-4,4'-[(E,E)-hydrazinediylidenebis(methanylylidene)]diphenol","Acta Crystallographica Section E","2012","68","10","o2990","","10.1107/S1600536812038354","","","0.71073","MoKα","","0.0384","0.0342","","","0.0939","0.0978","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236759","32.059","0.003","4.8392","0.0003","19.2682","0.0016","90","","107.269","0.006","90","","2854.5","0.4","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","ZJ2093","Akbal, Tufan; Ağar Alaman, Ayşen; Gümüş, Sümeyye; Erdönmez, Ahmet","(E)-1-[(3-Iodophenyl)iminomethyl]naphthalen-2-ol","Acta Crystallographica Section E","2012","68","10","o3027","","10.1107/S1600536812036793","","","0.71073","MoKα","","0.086","0.0422","","","0.0819","0.0943","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236760","7.899","0.001","25.061","0.003","8.1743","0.0011","90","","101.114","0.009","90","","1587.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4Z)-1-Methyl-4-[(2E)-2-(4-methylbenzylidene)hydrazin-1- ylidene]-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","1","ZJ2094","Shafiq, Muhammad; Harrison, William T. A.; Khan, Islam Ullah; Ejaz","(4Z)-1-Methyl-4-[(2E)-2-(4-methylbenzylidene)hydrazin-1-ylidene]-3,4-dihydro-1H-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","10","o2971","","10.1107/S1600536812039529","","","0.71073","MoKα","","0.1582","0.1197","","","0.3241","0.3466","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236761","9.466","0.005","10.625","0.005","11.527","0.005","63.932","0.005","84.5","0.005","75.874","0.005","1009.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H66 Cl2 P2 Pd -","- C42 H66 Cl2 P2 Pd -","- C42 H66 Cl2 P2 Pd -","1","0.5","ZJ2095","Buthelezi, Isaac; Chiririwa, Haleden; Ogutu, Hezron; Meijboom, Reinout","trans-Dichloridobis[dicyclohexyl(2,4,6-trimethylphenyl)phosphane-κP]palladium(II)","Acta Crystallographica Section E","2012","68","11","m1330","m1331","10.1107/S1600536812040810","","","0.71069","MoKα","","0.1016","0.0614","","","","0.1652","","","","","","1.015","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236762","8.9668","0.0013","10.1506","0.0015","12.0238","0.0017","90","","90","","90","","1094.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[(R)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3H)-one","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","ZJ2097","Rocha-Alonzo, Fernando; Morales-Morales, David; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Parra-Hake, Miguel","3-[(R)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3H)-one","Acta Crystallographica Section E","2012","68","11","o3240","o3241","10.1107/S1600536812043802","","","0.71073","MoKα","","0.0411","0.0336","","","0.0733","0.0758","","","","","","0.926","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236763","12.2447","0.0004","4.1135","0.0001","31.138","0.0011","90","","112.646","0.001","90","","1447.46","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato- κ^3^O,N^1^,S](pyridine-κN)nickel(II)","","- C13 H11 Br N4 Ni O S -","- C13 H11 Br N4 Ni O S -","- C52 H44 Br4 N16 Ni4 O4 S4 -","4","1","ZL2486","Pederzolli, Fernanda Rosi Soares; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato-κ^3^O,N^1^,S](pyridine-κN)nickel(II)","Acta Crystallographica Section E","2012","68","9","m1138","","10.1107/S1600536812028917","","","0.71073","MoKα","","0.0406","0.0307","","","","0.0831","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236764","8.254","0.0004","11.5489","0.0004","26.1962","0.0011","90","","90","","90","","2497.14","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C104 H96 F8 N24 O16 -","8","1","ZL2494","Nair, Yamuna; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2709","","10.1107/S1600536812035179","","","0.71073","MoKα","","0.0408","0.0319","","","0.0855","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236765","7.3987","0.0002","14.7348","0.0004","18.7286","0.0004","90","","90","","90","","2041.76","0.09","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","","- C10 H16 Cd I4 N4 O -","- C10 H16 Cd I4 N4 O -","- C40 H64 Cd4 I16 N16 O4 -","4","0.5","ZL2495","Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali","Bis(4-aminopyridinium) tetraiodidocadmate monohydrate","Acta Crystallographica Section E","2012","68","9","m1160","m1161","10.1107/S1600536812034447","","","0.71073","MoKα","","0.0268","0.025","","","0.0634","0.0643","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2236766","16.9456","0.0019","5.7029","0.0006","8.6333","0.0009","90","","90","","90","","834.31","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Methyl-1H-indole-3-carbaldehyde","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","ZL2498","Ismail, Sharifah Shafiqah; Khaledi, Hamid; Mohd Ali, Hapipah","5-Methyl-1H-indole-3-carbaldehyde","Acta Crystallographica Section E","2012","68","9","o2691","","10.1107/S1600536812034873","","","0.71073","MoKα","","0.0735","0.0378","","","0.0892","0.107","","","","","","0.979","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236767","10.0516","0.0003","17.9539","0.0006","12.4471","0.0004","90","","105.347","0.002","90","","2166.17","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (3S,3'R)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'- octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxylate","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C100 H100 N12 O16 -","4","1","ZL2499","Ganesh, G.; Yuvaraj, Panneer Selvam; Govindan, E.; Reddy, Boreddy S. R.; SubbiahPandi, A.","Methyl (3S,3'R)-1-methyl-2,2''-dioxo-1',2',3',5',6',7',8',8a'-octahydrodispiro[indoline-3,2'-indolizine-3',3''-indoline]-1'-carboxylate","Acta Crystallographica Section E","2012","68","10","o2901","","10.1107/S1600536812037531","","","0.71073","MoKα","","0.0853","0.0494","","","0.1223","0.1433","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236768","6.7625","0.0003","17.861","0.0008","7.6687","0.0004","90","","103.107","0.002","90","","902.13","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Acetyl-1,1,3,3-tetramethylguanidine","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C28 H60 N12 O4 -","4","1","ZL2504","Tiritiris, Ioannis","2-Acetyl-1,1,3,3-tetramethylguanidine","Acta Crystallographica Section E","2012","68","10","o2996","","10.1107/S1600536812039724","","","0.71073","MoKα","","0.0526","0.0458","","","0.1135","0.1171","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236769","9.3505","0.0004","22.4118","0.0009","7.6682","0.0005","90","","106.661","0.005","90","","1539.5","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione","","- C4 H6 N2 S3 -","- C4 H6 N2 S3 -","- C32 H48 N16 S24 -","8","2","ZL2506","Suarez, Sebastian A.; Hazari, Saroj K. S.; Ganguly, Biplab; Doctorovich, Fabio; G. Roy, Tapashi; Baggio, Ricardo","3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione","Acta Crystallographica Section E","2012","68","10","o3045","o3046","10.1107/S1600536812040147","","","0.71073","MoKα","","0.0684","0.0396","","","","0.1015","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236770","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Methoxyindan-1-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","ZL2507","Chang, Yuan Jay; Chen, Kew-Yu","7-Methoxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3063","","10.1107/S1600536812040743","","","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236771","11.7408","0.0002","13.3554","0.0002","37.5523","0.0008","90","","90","","90","","5888.32","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C240 H360 N24 O48 -","24","3","ZL2508","Molokoane, Pule P.; Schutte, M.; Steyl, G.","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","Acta Crystallographica Section E","2012","68","11","o3235","o3236","10.1107/S1600536812044091","","","0.71073","MoKα","","0.0548","0.0414","","","","0.1111","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236772","13.034","0.002","12.815","0.002","6.7741","0.0009","90","","100.65","0.01","90","","1112","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Potassium N-bromo-2-nitrobenzenesulfonamidate monohydrate","","- C6 H6 Br K N2 O5 S -","- C6 H6 Br K N2 O5 S -","- C24 H24 Br4 K4 N8 O20 S4 -","4","1","ZL2509","Gowda, B. Thimme; Foro, Sabine; Spandana, H. S.","Potassium N-bromo-2-nitrobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2012","68","11","m1358","","10.1107/S1600536812042080","","","0.71073","MoKα","","0.0633","0.0525","","","0.1362","0.145","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236773","16.591","0.0006","16.591","0.0006","9.7939","0.0003","90","","90","","90","","2695.88","0.16","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","4-Morpholinecarboxamidine","","- C5 H11 N3 O -","- C5 H11 N3 O -","- C80 H176 N48 O16 -","16","1","ZL2510","Tiritiris, Ioannis","4-Morpholinecarboxamidine","Acta Crystallographica Section E","2012","68","11","o3118","","10.1107/S1600536812042201","","","0.71073","MoKα","","0.0497","0.0371","","","0.0839","0.0905","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236774","5.914","0.0012","13.133","0.003","16.285","0.003","69.3","0.03","83.28","0.03","79.11","0.03","1160.1","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3,6-Di-tert-butyl-9-(quinolin-6-yl)-9H-carbazole","","- C29 H30 N2 -","- C29 H30 N2 -","- C58 H60 N4 -","2","1","ZQ2170","Chi, Yun; Wang, Lizhi; Li, Xiangxiang; Guan, Jianning","3,6-Di-tert-butyl-9-(quinolin-6-yl)-9H-carbazole","Acta Crystallographica Section E","2012","68","9","o2609","","10.1107/S1600536812030723","","","0.71073","MoKα","","0.0913","0.0554","","","0.1463","0.1707","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236775","9.88","0.002","10.246","0.002","11.272","0.002","86.29","0.03","71.82","0.03","65.32","0.03","982.2","0.5","223.15","","223.15","","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^O^1^: O^2^:O^4^:O^5^)(μ~2~-2,5-dicarboxybenzene-1,4- dicarboxylato-κ^2^O^1^:O^4^)bis(1,10-phenanthroline- κ^2^N,N')dimanganese(II)]","","- C44 H28 Mn2 N4 O18 -","- C44 H28 Mn2 N4 O18 -","- C44 H28 Mn2 N4 O18 -","1","0.5","ZQ2172","Zhong, Kai-Long","Poly[diaqua(μ~4~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^4^O^1^:O^2^:O^4^:O^5^)(μ~2~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)bis(1,10-phenanthroline-κ^2^N,N')dimanganese(II)]","Acta Crystallographica Section E","2012","68","9","m1184","m1185","10.1107/S1600536812035441","","","0.71073","MoKα","","0.0379","0.0308","","","0.0787","0.0813","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236776","9.3831","0.001","19.138","0.002","8.749","0.0009","90","","99.412","0.001","90","","1549.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(Thiophen-2-yl)-8,9-dihydro-3H-pyrazolo[4,3-f]quinolin- 7(6H)-one ethanol monosolvate","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","ZQ2174","Peng, Juhua; Jia, Runhong","9-(Thiophen-2-yl)-8,9-dihydro-3H-pyrazolo[4,3-f]quinolin-7(6H)-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","9","o2608","","10.1107/S1600536812033533","","","0.71073","MoKα","","0.1073","0.0523","","","0.1205","0.1537","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236777","5.6325","0.0003","8.1666","0.0003","13.4836","0.0006","90","","96.798","0.004","90","","615.86","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Methoxy-2-{(E)-[(thiophen-2-yl)methylimino]methyl}phenol","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C26 H26 N2 O4 S2 -","2","1","ZQ2177","Kantar, Esen Nur; Köysal, Yavuz; Macit, Mustafa; Er, Ebru; Soylu, Mustafa Serkan","4-Methoxy-2-{(E)-[(thiophen-2-yl)methylimino]methyl}phenol","Acta Crystallographica Section E","2012","68","9","o2801","","10.1107/S1600536812036586","","","0.71073","MoKα","","0.0594","0.0469","","","0.0965","0.1094","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236778","13.3604","0.0016","14.495","0.0016","23.007","0.003","90","","120.694","0.002","90","","3831.3","0.8","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloridobis[tris(4-chlorophenyl)phosphane-κP]platinum(II) acetonitrile monosolvate","","- C38 H27 Cl8 N P2 Pt -","- C38 H27 Cl8 N P2 Pt -","- C152 H108 Cl32 N4 P8 Pt4 -","4","1","ZQ2178","Meijboom, Reinout; Kirsten, Leo; Mbhele, Thapelo","cis-Dichloridobis[tris(4-chlorophenyl)phosphane-κP]platinum(II) acetonitrile monosolvate","Acta Crystallographica Section E","2012","68","9","m1229","","10.1107/S1600536812037166","","","0.71073","MoKα","","0.0325","0.0232","","","0.0481","0.0519","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236779","14.698","0.009","8.03","0.005","17.495","0.011","90","","103.059","0.007","90","","2011","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate","","- C22 H17 Cl N2 O5 -","- C22 H17 Cl N2 O5 -","- C88 H68 Cl4 N8 O20 -","4","1","ZQ2179","Zhang, Hongxia; Qu, Donghui; Ma, Jing","N-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate","Acta Crystallographica Section E","2012","68","10","o2904","","10.1107/S1600536812037981","","","0.71073","MoKα","","0.0858","0.0474","","","","0.1143","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236780","10.3609","0.0003","7.87","0.0002","17.7948","0.0007","90","","93.043","0.002","90","","1448.95","0.08","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-Ferrocenylmethyl-2-nitroaniline","","- C17 H16 Fe N2 O2 -","- C17 H16 Fe N2 O2 -","- C68 H64 Fe4 N8 O8 -","4","1","ZQ2180","Rahim, Oumelkheir; Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami","N-Ferrocenylmethyl-2-nitroaniline","Acta Crystallographica Section E","2012","68","10","m1318","","10.1107/S1600536812039177","","","0.71073","MoKα","","0.0286","0.0251","","","0.0666","0.0692","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236781","8.173","0.0016","20.21","0.004","12.068","0.002","90","","91.44","0.03","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triaqua(cyclohex-4-ene-1,2-dicarboxylato-κO^1^)(1,10-phenanthroline- κ^2^N,N')cobalt(II)","","- C20 H22 Co N2 O7 -","- C20 H22 Co N2 O7 -","- C80 H88 Co4 N8 O28 -","4","1","ZQ2181","Li, Hai-Ye; Wang, Cheng; Huang, Fu-Ping; Jiang, Yi-Min","Triaqua(cyclohex-4-ene-1,2-dicarboxylato-κO^1^)(1,10-phenanthroline-κ^2^N,N')cobalt(II)","Acta Crystallographica Section E","2012","68","11","m1375","m1376","10.1107/S160053681204024X","","","0.71073","MoKα","","0.0837","0.0606","","","0.1113","0.1215","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236782","9.246","0.003","11.911","0.004","17.923","0.006","90","","90","","90","","1973.8","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-Methylphenyl)-N-{[(2-nitrophenyl)acetyl]oxy}benzamide","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","ZQ2182","Qu, Dong-Hui; Zhang, Hong-Xia; Ma, Jing","N-(4-Methylphenyl)-N-{[(2-nitrophenyl)acetyl]oxy}benzamide","Acta Crystallographica Section E","2012","68","10","o2974","","10.1107/S1600536812039360","","","0.71073","MoKα","","0.0779","0.0404","","","","0.1108","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236783","18.817","0.0004","11.9752","0.0003","15.6043","0.0004","90","","91.47","0.001","90","","3515.07","0.15","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl (Z)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","ZQ2185","Islor, Arun M.; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl (Z)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate","Acta Crystallographica Section E","2012","68","11","o3218","","10.1107/S1600536812043723","","","0.71073","MoKα","","0.0677","0.0511","","","0.1349","0.1469","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236784","6.8604","0.0002","9.4534","0.0003","16.4789","0.0006","90","","90","","90","","1068.72","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[4-(1H-Imidazol-4-yl)phenyl]-1H-imidazole","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","0.5","ZS2214","Wang, Qian; Zhao, Xiao-Li","4-[4-(1H-Imidazol-4-yl)phenyl]-1H-imidazole","Acta Crystallographica Section E","2012","68","9","o2618","","10.1107/S1600536812032485","","","0.71073","MoKα","","0.0425","0.0317","","","0.0877","0.0958","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236785","13.9633","0.0004","7.7094","0.0002","15.1518","0.0004","90","","90.705","0.003","90","","1630.95","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(Methylsulfanyl)phenyl]-2-(2,3,4-trimethoxyphenyl)ethene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","ZS2220","Gielara-Korzańska, Agnieszka; Stefański, Tomasz; Korzański, Artur; Sobiak, Stanisław","(E)-1-[4-(Methylsulfanyl)phenyl]-2-(2,3,4-trimethoxyphenyl)ethene","Acta Crystallographica Section E","2012","68","9","o2791","","10.1107/S1600536812036288","","","0.71073","MoKα","","0.0725","0.0502","","","0.0984","0.1053","","","","","","1.124","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236786","13.2429","0.0014","4.7704","0.0005","16.7983","0.0018","90","","111.227","0.002","90","","989.21","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Cyclopropanecarboxamido)benzoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","ZS2222","Sun, Zhong-Qiang; Ding, Zhen-Ya; Shao, Zhi-Yu","4-(Cyclopropanecarboxamido)benzoic acid","Acta Crystallographica Section E","2012","68","10","o3029","","10.1107/S1600536812038196","","","0.71073","MoKα","","0.0464","0.0411","","","0.1133","0.119","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236787","3.9231","0.0002","13.8213","0.0012","12.6465","0.0011","90","","90","","90","","685.72","0.09","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","2,5-diamino-3,4-dicyanothiophene","2,5-Diaminothiophene-3,4-dicarbonitrile","","- C6 H4 N4 S -","- C6 H4 N4 S -","- C24 H16 N16 S4 -","4","0.5","ZS2223","Ziegler, Christopher J.; Nemykin, Victor N.","2,5-Diaminothiophene-3,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2693","","10.1107/S1600536812034678","","","0.71073","MoKα","","0.0838","0.053","","0.1162","0.0845","0.1162","","","","","","0.9931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236788","12.1299","0.0008","18.9418","0.0008","7.7549","0.0004","90","","100.375","0.004","90","","1752.65","0.17","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N,N'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","ZS2225","Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas; Muller, Theunis J.","N,N'-(4,5-Dimethyl-1,2-phenylene)bis(pyridine-2-carboxamide)","Acta Crystallographica Section E","2012","68","9","o2739","","10.1107/S1600536812035064","","","0.71073","MoKα","","0.0415","0.0363","","","","0.0899","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236789","8.7601","0.0001","7.6732","0.0001","20.0819","0.0003","90","","96.7467","0.0007","90","","1340.52","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Cyanato-κN){1-[(E)-phenyl(pyridin-2-yl- κN)methylidene]semicarbazidato-κ^2^N^1^,O}copper(II)","","- C14 H11 Cu N5 O2 -","- C14 H11 Cu N5 O2 -","- C56 H44 Cu4 N20 O8 -","4","1","ZS2226","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","(Cyanato-κN){1-[(E)-phenyl(pyridin-2-yl-κN)methylidene]semicarbazidato-κ^2^N^1^,O}copper(II)","Acta Crystallographica Section E","2012","68","9","m1180","","10.1107/S1600536812035386","","","0.71073","MoKα","","0.0335","0.0292","","","0.0881","0.0926","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236790","9.1289","0.0002","9.4017","0.0002","10.6798","0.0002","90.4349","0.0006","99.1627","0.0006","105.491","0.0006","870.84","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(1-{(E)-[phenyl(pyridin-2-yl- κN)methylidene]amino-κN}pyrrolidin-2-one-κO)copper(II) monohydrate","","- C16 H17 Cl2 Cu N3 O2 -","- C16 H17 Cl2 Cu N3 O2 -","- C32 H34 Cl4 Cu2 N6 O4 -","2","1","ZS2227","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","Dichlorido(1-{(E)-[phenyl(pyridin-2-yl-κN)methylidene]amino-κN}pyrrolidin-2-one-κO)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","9","m1181","","10.1107/S1600536812035398","","","0.71073","MoKα","","0.028","0.0258","","","0.0728","0.0756","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236791","6.4831","0.0006","6.7538","0.0006","10.404","0.0011","77.865","0.009","84.297","0.008","74.499","0.008","428.71","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1-(2-cyanoethyl)-4,5-dicyanoimidazole","1-(2-Cyanoethyl)-1H-imidazole-4,5-dicarbonitrile","","- C8 H5 N5 -","- C8 H5 N5 -","- C16 H10 N10 -","2","1","ZS2228","Yu, Hong; Lei, Ke-Wei","1-(2-Cyanoethyl)-1H-imidazole-4,5-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2765","","10.1107/S1600536812036252","","","0.71073","MoKα","","0.0675","0.0473","","","0.1046","0.1238","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236792","5.5265","0.0011","9.467","0.0019","22.534","0.005","90","","91.206","0.003","90","","1178.7","0.4","291","2","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-N-Methyl-2-[(2E)-3-phenylprop-2-en-1- ylidene]hydrazinecarbothioamide","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C44 H52 N12 S4 -","4","1","ZS2229","Murali Krishna, P.; Anilkumar, G. N.; Hussain Reddy, K.; Kokila, M. K.","(2E)-N-Methyl-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2842","","10.1107/S1600536812037397","","","0.71073","MoKα","","0.084","0.0594","","","0.1497","0.1735","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236793","5.9035","0.0003","7.5712","0.0004","35.373","0.002","85.618","0.005","86.213","0.005","89.046","0.004","1572.88","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","fenoxycarb","Ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","2","ZS2230","Karpinska, Jolanta; Kuhs, Manuel; Rasmuson, Ake; Erxleben, Andrea; McArdle, Patrick","Ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate","Acta Crystallographica Section E","2012","68","10","o2834","o2835","10.1107/S1600536812037105","","","0.7107","MoKα","","0.1401","0.063","","","0.0978","0.1264","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236794","20.4938","0.0015","4.1237","0.0003","24.6361","0.0018","90","","114.151","0.003","90","","1899.8","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Chloromethyl-6,7-dimethyl-1,2-benzoxazole","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C80 H80 Cl8 N8 O8 -","8","1","ZS2231","Kayalvizhi, M.; Vasuki, G.; Veerareddy, A.; Laxminarasimha, G.","3-Chloromethyl-6,7-dimethyl-1,2-benzoxazole","Acta Crystallographica Section E","2012","68","10","o3008","","10.1107/S1600536812039700","","","0.71073","MoKα","","0.0523","0.0407","","","0.1095","0.1201","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236795","12.139","0.0011","11.1247","0.0009","20.035","0.0018","90","","95.543","0.001","90","","2692.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^P:P']- bis(nitrito-κ^2^O,O')]disilver(I) acetonitrile disolvate","","- C54 H50 Ag2 N4 O4 P4 -","- C54 H50 Ag2 N4 O4 P4 -","- C108 H100 Ag4 N8 O8 P8 -","2","0.5","ZS2232","Yang, Xue; Huang, Xu; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin","[Bis[μ-bis(diphenylphosphino)methane-1:2κ^2^P:P']-bis(nitrito-κ^2^O,O')]disilver(I) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","11","m1367","","10.1107/S1600536812041931","","","0.71073","MoKα","","0.0455","0.0319","","","0.0783","0.0897","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236796","11.905","0.008","13.729","0.009","12.782","0.008","90","","108.366","0.014","90","","1983","2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)- 6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C80 H64 Cl8 N16 O8 -","4","1","ZS2233","Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti","Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2012","68","10","o2977","o2978","10.1107/S1600536812039451","","","0.71073","MoKα","","0.0776","0.0461","","","0.1135","0.1299","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236797","9.436","0.0019","9.454","0.0019","10.098","0.002","66.87","0.03","70.19","0.03","75.91","0.03","773","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-carboxy-2-hydroxypropane-1,2-dicarboxylato)bis(diaquazinc)‒ 1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","","- C24 H34 N2 O20 Zn2 -","- C24 H34 N2 O20 Zn2 -","- C24 H34 N2 O20 Zn2 -","1","0.5","ZS2234","Hwang, In Hong; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee","Bis(μ-3-carboxy-2-hydroxypropane-1,2-dicarboxylato)bis(diaquazinc)‒1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","Acta Crystallographica Section E","2012","68","10","m1305","m1306","10.1107/S1600536812039761","","","0.71073","MoKα","","0.0604","0.0514","","","0.1342","0.1395","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236798","12.5237","0.0016","14.9638","0.0018","23.845","0.003","90","","90","","90","","4468.6","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^N^4^,N^5^] (trifluoroacetato-κO)silver(I)","","- C22 H12 Ag F3 N8 O2 -","- C22 H12 Ag F3 N8 O2 -","- C176 H96 Ag8 F24 N64 O16 -","8","2","ZS2235","Li, Jing; Jia, Xiao Cuan; Qi, Jun; Liu, Yuan Yuan; Ding, Yu","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^N^4^,N^5^](trifluoroacetato-κO)silver(I)","Acta Crystallographica Section E","2012","68","11","m1329","","10.1107/S1600536812040846","","","0.71073","MoKα","","0.0634","0.0438","","","0.1115","0.1291","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236799","9.507","0.0008","9.904","0.0008","11.471","0.0013","71.582","0.013","76.74","0.016","79.743","0.015","990.89","0.19","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","rac-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)- 2-thio-1,3-diazinane-5-carboxylate","","- C17 H21 F3 N2 O6 S -","- C17 H21 F3 N2 O6 S -","- C34 H42 F6 N4 O12 S2 -","2","1","ZS2236","Li, Yong-Qiang; Ju, Zhi-Yu","rac-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)-2-thio-1,3-diazinane-5-carboxylate","Acta Crystallographica Section E","2012","68","11","o3092","o3093","10.1107/S1600536812041013","","","0.71075","MoKα","","0.0495","0.0329","","","0.0768","0.0803","","","","","","0.896","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236800","7.184","0.0001","12.5079","0.0001","19.9527","0.0001","90","","90","","90","","1792.88","0.03","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2,4,6-Tris(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine","","- C18 H21 N9 -","- C18 H21 N9 -","- C72 H84 N36 -","4","1","ZS2237","Ng, Seik Weng","A second polymorph of 2,4,6-tris(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine","Acta Crystallographica Section E","2012","68","11","o3201","","10.1107/S1600536812043255","","","1.54184","CuKα","","0.028","0.028","","","0.0789","0.079","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236801","7.982","0.003","17.921","0.006","12.478","0.004","90","","92.581","0.006","90","","1783.1","1.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-6-methyl-4-(3-methylphenyl)quinoline","","- C23 H18 Cl N -","- C23 H18 Cl N -","- C92 H72 Cl4 N4 -","4","1","ZS2238","Prabhuswamy, M.; Swaroop, T. R.; Madan Kumar, S.; Rangappa, K. S.; Lokanath, N. K.","2-(4-Chlorophenyl)-6-methyl-4-(3-methylphenyl)quinoline","Acta Crystallographica Section E","2012","68","11","o3250","","10.1107/S1600536812043954","","","0.71073","MoKα","","0.0766","0.0569","","","0.1505","0.1684","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236802","8.7356","0.0004","15.8691","0.0006","24.7015","0.001","90","","98.206","0.001","90","","3389.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium 2-[2,5-dimethyl-3-(4-nitrophenyl)-2,3-dihydro- 1,2,4-oxadiazolium-4-yl]nonahydro-closo-decaborate","","- C26 H56 B10 N4 O3 -","- C26 H56 B10 N4 O3 -","- C104 H224 B40 N16 O12 -","4","1","AA2067","Mindich, Aleksey L.; Pavlishchuk, Anna V.; Bokach, Nadezhda A.; Starova, Galina L.; Zhizhin, Konstantin Yu.","Tetrabutylammonium 2-[2,5-dimethyl-3-(4-nitrophenyl)-2,3-dihydro-1,2,4-oxadiazolium-4-yl]nonahydro-closo-decaborate","Acta Crystallographica Section E","2012","68","12","o3284","o3285","10.1107/S1600536812044984","","","0.71073","MoKα","","0.0843","0.054","","","0.1307","0.142","","","","","","0.938","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236803","19.94","0.003","12.2947","0.0014","10.9508","0.0014","90","","90","","90","","2684.7","0.6","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis(2-{[bis(dimethylamino)methylidene]amino-κN}benzenesulfonato-κN)copper(II)","","- C22 H32 Cu N6 O6 S2 -","- C22 H32 Cu N6 O6 S2 -","- C88 H128 Cu4 N24 O24 S8 -","4","1","AA2076","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","Bis(2-{[bis(dimethylamino)methylidene]amino-κN}benzenesulfonato-κN)copper(II)","Acta Crystallographica Section E","2012","68","12","m1482","","10.1107/S1600536812046387","","","0.71073","MoKα","","0.0625","0.0435","","","0.087","0.0932","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236804","13.904","0.001","8.104","0.001","13.946","0.001","90","","97.39","0.01","90","","1558.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-hydroxy-9,10-dimethyl-9,10-ethanoanthracene-11,12-dicarboximide","17-Hydroxy-1,8-dimethyl-17- azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9(14),10,12- hexaene-16,18-dione","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","BG2475","Miroslaw, Barbara; Koziol, Anna E.; Pakosinska-Parys, Magdalena; Struga, Marta","17-Hydroxy-1,8-dimethyl-17-azapentacyclo[6.6.5.0^2,7^.0^9,14^.0^15,19^]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione","Acta Crystallographica Section E","2012","68","12","o3293","o3294","10.1107/S1600536812045151","","","0.71073","MoKα","","0.0427","0.0363","","","0.0901","0.0959","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236805","7.804","0.0005","7.98","0.0004","10.2903","0.0005","90","","99.458","0.005","90","","632.13","0.06","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5S,11aS)-5-Hydroperoxy-1,5,11,11a- tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","BG2481","Vrábel, Viktor; Švorc, Ľubomír; Marchalín, Štefan; Šafář, Peter","(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one","Acta Crystallographica Section E","2012","68","12","o3327","o3328","10.1107/S1600536812045394","","","0.71073","MoKα","","0.035","0.0274","","","0.066","0.068","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236806","10.92406","0.00018","16.0826","0.0002","13.2228","0.0002","90","","105.255","0.0017","90","","2241.22","0.06","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis[1,2- bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)","","- C54 H49 Cl P4 Ru -","- C54 H49 Cl P4 Ru -","- C108 H98 Cl2 P8 Ru2 -","2","0.5","BG2483","Trujillo, Alexander; Fuentealba, Mauricio; Arratia-Perez, Ramiro; Howard, Judith A. K.","trans-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)","Acta Crystallographica Section E","2012","68","12","m1445","","10.1107/S1600536812044558","","","0.7107","MoKα","","0.0386","0.0304","","","0.0675","0.0717","","","","","","1.093","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2236807","9.0709","0.0018","9.6882","0.0019","12.311","0.003","88.93","0.03","83.12","0.03","75.14","0.03","1038.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Adipic acid‒2,6-bis(1H-benzimidazol-2-yl)pyridine‒water (1/2/4)","","- C44 H44 N10 O8 -","- C44 H44 N10 O8 -","- C44 H44 N10 O8 -","1","0.5","BG2486","Lin, Songzhu; Jia, Ruokun; Gao, Feng; Zhou, Xiaoqing","Adipic acid‒2,6-bis(1H-benzimidazol-2-yl)pyridine‒water (1/2/4)","Acta Crystallographica Section E","2012","68","12","o3457","","10.1107/S1600536812047861","","","0.71073","MoKα","","0.0605","0.0473","","","0.144","0.1625","","","","","","1.149","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236808","5.0102","0.0001","28.6642","0.0007","10.1131","0.0002","90","","103.113","0.001","90","","1414.51","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","BG2489","Islor, Arun M.; Jagadeesh, M. R.; Suresh Kumar, H. M.; Ananda Kumari, R.; Gerber, Thomas; Hosten, Eric; Betz, Richard","N^1^-(4-Methylphenyl)piperidine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","12","o3452","","10.1107/S1600536812047836","","","0.71073","MoKα","","0.0521","0.0437","","","0.1163","0.1236","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236809","7.5887","0.0002","6.7522","0.0001","22.5299","0.0005","90","","98.85","0.001","90","","1140.7","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dicarbonyl(1-phenyl-1,3-butanedionato)rhodium(I)","(Benzoylacetonato-κ^2^O,O')dicarbonylrhodium(I)","","- C12 H9 O4 Rh -","- C12 H9 O4 Rh -","- C48 H36 O16 Rh4 -","4","1","BH2458","Pretorius, Carla; Roodt, Andreas","(Benzoylacetonato-κ^2^O,O')dicarbonylrhodium(I)","Acta Crystallographica Section E","2012","68","12","m1451","m1452","10.1107/S1600536812044893","","","0.71073","MoKα","","0.0214","0.0178","","","","0.048","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236810","5.8755","0.0003","9.0515","0.0005","10.7607","0.0005","87.911","0.003","74.346","0.003","83.55","0.003","547.55","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate","","- C8 H17 N5 O2 -","- C8 H17 N5 O2 -","- C16 H34 N10 O4 -","2","1","BH2459","Bhardwaj, Rajni M.; Oswald, Iain; Florence, Alastair J.","6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate","Acta Crystallographica Section E","2012","68","12","o3377","","10.1107/S1600536812044480","","","0.71073","MoKα","","0.0791","0.0406","","","0.0798","0.0932","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236811","7.8893","0.0006","8.4178","0.0007","11.4825","0.001","109.53","0.004","101.959","0.004","93.913","0.005","695.22","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[O-propan-2-yl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)","","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","1","0.5","BH2460","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[O-propan-2-yl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1457","","10.1107/S1600536812045114","","","0.71073","MoKα","","0.0534","0.0303","","","0.0593","0.0654","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236812","9.1383","0.0003","9.534","0.0003","12.3138","0.0004","90.794","0.002","90.528","0.002","116.272","0.002","961.78","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","2","BH2462","Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.","2,3-Dihydro-1H-pyrrolo[1,2-a]indole-9-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3306","","10.1107/S1600536812045345","","","0.71073","MoKα","","","0.0377","","","","0.0974","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236813","11.705","0.0005","15.3084","0.0007","12.5331","0.0006","90","","97.483","0.001","90","","2226.62","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^N,S:S; κ^3^S:N,S-bis[(triphenylphosphane-κP)silver(I)]","","- C48 H44 Ag2 N4 P2 S2 -","- C48 H44 Ag2 N4 P2 S2 -","- C96 H88 Ag4 N8 P4 S4 -","2","0.5","BH2464","Wattanakanjana, Yupa; Pakawatchai, Chaveng; Kowittheeraphong, Sukanya; Nimthong, Ruthairat","Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^N,S:S;κ^3^S:N,S-bis[(triphenylphosphane-κP)silver(I)]","Acta Crystallographica Section E","2012","68","12","m1572","m1573","10.1107/S1600536812048210","","","0.71073","MoKα","","0.0387","0.0319","","","0.0845","0.0884","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236814","11.836","0.002","7.716","0.0015","7.743","0.0015","90","","90.72","0.03","90","","707.1","0.2","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzene-1,2-diamine","","- C7 H10 N2 -","- C7 H10 N2 -","- C28 H40 N8 -","4","1","BQ2378","Yang, Xiao-Li; Feng, Zhi-Qiang; Hao, Ling-Yun","3-Methylbenzene-1,2-diamine","Acta Crystallographica Section E","2012","68","12","o3346","","10.1107/S1600536812046120","","","0.71073","MoKα","","0.0627","0.0449","","","0.1156","0.1236","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236815","6.7653","0.0008","12.2856","0.0011","37.943","0.004","90","","90","","90","","3153.7","0.6","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","","- C34 H50 O6 S -","- C34 H50 O6 S -","- C136 H200 O24 S4 -","4","1","BQ2379","Fernández-Herrera, María A.; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Rodríguez-Acosta, Maricela; Hernández Linares, María-Guadalupe","(25R)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","Acta Crystallographica Section E","2012","68","12","o3413","o3414","10.1107/S1600536812046600","","","0.71073","MoKα","","0.0471","0.0364","","","0.0834","0.0903","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236816","8.316","0.0017","10.344","0.002","11.049","0.002","109.94","0.03","98.53","0.03","111.93","0.03","786.3","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","cis-Bis{(E)-2-[(2-fluorophenyl)iminomethyl]phenolato- κ^2^N,O}bis(pyridine-κN)nickel(II)","","- C36 H28 F2 N4 Ni O2 -","- C36 H26 F2 N4 Ni O2 -","- C36 H26 F2 N4 Ni O2 -","1","0.5","BR2213","Souza, Marcela C. G.; da Ferreira, Leonardo; Comerlato, Nadia M.; Ferreira, Glaucio B.; do Visentin, Lorenzo","cis-Bis{(E)-2-[(2-fluorophenyl)iminomethyl]phenolato-κ^2^N,O}bis(pyridine-κN)nickel(II)","Acta Crystallographica Section E","2012","68","12","m1470","","10.1107/S1600536812045576","","","0.71073","MoKα","","0.0422","0.0365","","","0.0999","0.1052","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236817","7.113","0.0007","12.056","0.002","9.803","0.0009","90","","100.48","0.02","90","","826.63","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Disodium molybdenum dioxide diarsenate","","- As2 Mo Na2 O9 -","- As2 Mo Na2 O9 -","- As8 Mo4 Na8 O36 -","4","1","BR2214","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","Na~2~MoO~2~As~2~O~7~","Acta Crystallographica Section E","2012","68","12","i93","","10.1107/S1600536812048167","","","0.71073","MoKα","","0.0231","0.0217","","","0.057","0.0575","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236818","8.5386","0.0011","10.0157","0.001","11.0821","0.0012","109.221","0.008","106.229","0.009","101.886","0.009","811.52","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1H-indol-3-yl]acetic acid","","- C18 H15 Br Cl N O2 -","- C18 H15 Br Cl N O2 -","- C36 H30 Br2 Cl2 N2 O4 -","2","1","BT6855","Elkady, Mahmoud; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","2-[5-Bromo-1-(3-chlorobenzyl)-2-methyl-1H-indol-3-yl]acetic acid","Acta Crystallographica Section E","2012","68","12","o3396","","10.1107/S1600536812046740","","","0.71073","MoKα","","0.0862","0.0515","","","0.1301","0.1499","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236819","9.6716","0.0008","11.4617","0.0009","13.8257","0.001","113.497","0.005","92.753","0.006","93.753","0.006","1397.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","2","BT6856","Elkady, Mahmoud; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan","3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3397","","10.1107/S1600536812046752","","","0.71073","MoKα","","0.139","0.0519","","","0.1217","0.1582","","","","","","0.918","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236820","14.3419","0.0008","7.7579","0.0004","23.895","0.001","90","","90.345","0.005","90","","2658.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C96 H72 Cl8 N16 O32 S8 -","8","2","BT6857","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3424","","10.1107/S1600536812047496","","","0.71073","MoKα","","0.1033","0.0616","","","0.1424","0.1631","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236821","9.2762","0.0009","12.981","0.001","11.97","0.001","90","","110.97","0.01","90","","1345.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT6858","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3497","","10.1107/S1600536812048684","","","0.71073","MoKα","","0.0829","0.0526","","","0.0955","0.1098","","","","","","1.156","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236822","10.8091","0.0018","12.326","0.002","20.989","0.003","90","","100.654","0.008","90","","2748.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Ferrocenyl-1-methyl-3-benzoylspiro[pyrrolidine-2,11'- indeno[1,2-b]quinoxaline]","","- C36 H29 Fe N3 O -","- C36 H29 Fe N3 O -","- C144 H116 Fe4 N12 O4 -","4","1","BT6861","Vijayakumar, B.; Sureshbabu, A. R.; Gavaskar, D.; Raghunathan, R.; Velmurugan, D.","4-Ferrocenyl-1-methyl-3-benzoylspiro[pyrrolidine-2,11'-indeno[1,2-b]quinoxaline]","Acta Crystallographica Section E","2012","68","12","m1576","m1577","10.1107/S1600536812048349","","","0.71073","MoKα","","0.0474","0.0364","","","0.0973","0.1056","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236823","6.8218","0.0007","12.9272","0.0013","20.746","0.002","90","","90","","90","","1829.5","0.3","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Dimethyl(1,10-phenanthroline-κ^2^N,N')bis(thiocyanato- κN)tin(IV)","","- C16 H14 N4 S2 Sn -","- C16 H14 N4 S2 Sn -","- C64 H56 N16 S8 Sn4 -","4","0.5","BT6862","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethyl(1,10-phenanthroline-κ^2^N,N')bis(thiocyanato-κN)tin(IV)","Acta Crystallographica Section E","2012","68","12","m1544","","10.1107/S1600536812047691","","","0.71073","MoKα","","0.0704","0.039","","","0.0886","0.1056","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236824","9.3965","0.0004","17.8939","0.0007","9.9084","0.0004","90","","103.036","0.004","90","","1623.06","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1H-1,2,4-triazolido-κ^2^N^1^:N^2^)di-μ~3~-oxido- tetratin(IV)","","- C18 H42 N6 O4 S2 Sn4 -","- C18 H42 N6 O4 S2 Sn4 -","- C36 H84 N12 O8 S4 Sn8 -","2","0.5","BT6863","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ido-κ^2^N^1^:N^2^)di-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2012","68","12","m1545","","10.1107/S1600536812047708","","","0.71073","MoKα","","0.0323","0.0255","","","0.0614","0.0653","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236825","9.6009","0.0004","10.0839","0.0004","18.3971","0.0006","90","","94.667","0.004","90","","1775.2","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1H-1,2,4-triazol-1-ido-κ^2^N^1^:N^2^)di-μ~3~-oxido- tetratin(IV)","","- C20 H46 N6 O4 S2 Sn4 -","- C20.006 H46 N6 O4 S2 Sn4 -","- C40.012 H92 N12 O8 S4 Sn8 -","2","0.5","BT6864","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-ido-κ^2^N^1^:N^2^)di-μ~3~-oxido-tetratin(IV)","Acta Crystallographica Section E","2012","68","12","m1546","","10.1107/S160053681204771X","","","0.71073","MoKα","","0.0295","0.0233","","","0.0485","0.0518","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236826","14.708","0.001","7.941","0.0007","24.741","0.002","90","","90","","90","","2889.7","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C112 H112 N16 O32 S8 -","8","2","BT6865","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3,5-Dimethylphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3425","","10.1107/S1600536812047502","","","0.71073","MoKα","","0.0689","0.0389","","","0.065","0.0743","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236827","7.6404","0.0003","15.1703","0.0007","15.9168","0.0007","90","","90","","90","","1844.87","0.14","120","0.14","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","BT6866","Rivera, Augusto; Jiménez-Cruz, Leonardo; Maldonado, Mauricio; Kučeráková, Monika; Dušek, Michal","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","Acta Crystallographica Section E","2012","68","12","o3429","","10.1107/S1600536812047538","","","1.5418","CuKα","","0.0477","0.0393","","","0.0991","0.1043","","","","","","1.55","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236828","11.5913","0.0005","12.7572","0.0005","17.797","0.0007","90","","90","","90","","2631.69","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","","- C25 H40 Fe N4 O3 -","- C25 H40 Fe N4 O3 -","- C100 H160 Fe4 N16 O12 -","4","1","BT6867","Ahmida, Aziza; Flörke, Ulrich; Henkel, Gerald","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","Acta Crystallographica Section E","2012","68","12","m1556","","10.1107/S1600536812048179","","","0.71073","MoKα","","0.0363","0.0333","","","0.0801","0.0818","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236829","11.5959","0.0002","17.789","0.0004","8.761","0.0002","90","","97.06","0.001","90","","1793.51","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Bromophenyl)-2-phenylpyrano[3,2-c]chromen-5(4H)-one","","- C24 H15 Br O3 -","- C24 H15 Br O3 -","- C96 H60 Br4 O12 -","4","1","BV2211","Gohain, Mukut; Loganathan, Nagarajan; Bezuidenhoudt, Barend C. B.; Roodt, Andreas","4-(2-Bromophenyl)-2-phenylpyrano[3,2-c]chromen-5(4H)-one","Acta Crystallographica Section E","2012","68","12","o3279","o3280","10.1107/S1600536812044510","","","0.71073","MoKα","","0.0311","0.0269","","","0.0662","0.0681","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236830","6.344","0.003","8.766","0.004","12.056","0.006","79.1","0.03","86.05","0.03","85.72","0.03","655.5","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine","","- C13 H20 N4 -","- C13 H20 N4 -","- C26 H40 N8 -","2","1","BV2214","Sreenivasa, S.; ManojKumar, K. E.; Shet Prakash, M.; Suchetan, P. A.; Palakshamurthy, B. S.","4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine","Acta Crystallographica Section E","2012","68","12","o3440","","10.1107/S160053681204740X","","","0.71073","MoKα","","0.0897","0.066","","","","0.2271","","","","","","1.133","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236831","10.4825","0.0016","6.9213","0.0009","11.0212","0.0018","90","","95.97","0.007","90","","795.3","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","acetyldihydromicromylin A","(1R,3R,4R,6S)-4-(7-Methoxy-2-oxo-2H- chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","","- C17 H16 O7 -","- C17 H16 O7 -","- C34 H32 O14 -","2","1","BX2427","Phakhodee, Wong; Laphookhieo, Surat; Prior, Timothy John; Rujiwatra, Apinpus","(1R,3R,4R,6S)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate","Acta Crystallographica Section E","2012","68","12","o3421","o3422","10.1107/S1600536812047617","","","0.71073","MoKα","","0.0592","0.046","","","0.1236","0.136","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236832","9.3676","0.0003","12.7079","0.0009","18.1998","0.0009","75.458","0.005","89.623","0.003","82.323","0.004","2077.5","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^N,N')iron(II) bis(tricyanomethanide)","","- C50 H36 Fe N12 -","- C50 H36 Fe N12 -","- C100 H72 Fe2 N24 -","2","1","BX2428","Váhovská, Lucia; Potočňák, Ivan","Tris(5,6-dimethyl-1,10-phenanthroline-κ^2^N,N')iron(II) bis(tricyanomethanide)","Acta Crystallographica Section E","2012","68","12","m1524","m1525","10.1107/S1600536812046880","","","0.71073","MoKα","","0.0724","0.0501","","","0.1158","0.1247","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236833","20.022","0.005","7.7985","0.0009","17.651","0.003","90","","129.12","0.03","90","","2138.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(2,4-DMepyrH)2.HgBr4","Bis(2,4-dimethylpyridinium) tetrabromidomercurate(II)","","- C14 H20 Br4 Hg N2 -","- C14 H20 Br4 Hg N2 -","- C56 H80 Br16 Hg4 N8 -","4","0.5","BX2429","Al-Far, Rawhi; Haddad, Salim F.; Ali, Basem F.","Bis(2,4-dimethylpyridinium) tetrabromidomercurate(II)","Acta Crystallographica Section E","2012","68","12","m1499","","10.1107/S1600536812046788","","","0.71073","MoKα","","0.1116","0.0497","","","0.0824","0.102","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236834","35.408","0.007","16.106","0.003","12.056","0.002","90","","102.22","0.03","90","","6720","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline-κ^2^N,N')ruthenium(II) bis(perchlorate)","","- C36 H24 Cl2 N6 O8 Ru -","- C36 H24 Cl1.9995 N6 O8.0005 Ru -","- C288 H192 Cl15.996 N48 O64.004 Ru8 -","8","1","BX2430","Kozlowska, Mariana; Rodziewicz, Pawel; Brus, Diana Malgorzata; Czyrko, Justyna; Brzezinski, Krzysztof","Tris(1,10-phenanthroline-κ^2^N,N')ruthenium(II) bis(perchlorate)","Acta Crystallographica Section E","2012","68","12","m1570","m1571","10.1107/S1600536812048428","","","0.71073","MoKα","","0.0892","0.0711","","","0.1988","0.2183","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236835","9.7981","0.0003","13.6139","0.0005","16.7098","0.0006","74.363","0.002","80.464","0.002","83.563","0.002","2111.42","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","2","CV5345","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2012","68","12","o3282","","10.1107/S1600536812044856","","","0.71073","MoKα","","0.0911","0.0513","","","0.1246","0.1499","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236836","10.0893","0.0008","10.8325","0.0009","14.4937","0.0012","90.346","0.002","91.748","0.001","106.979","0.001","1514.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate","","- C33 H42 Cl2 P Ru -","- C33 H42 Cl2 P Ru -","- C66 H84 Cl4 P2 Ru2 -","2","1","CV5349","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate","Acta Crystallographica Section E","2012","68","12","m1446","m1447","10.1107/S1600536812044674","","","0.71073","MoKα","","0.0203","0.018","","","0.0465","0.0481","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236837","5.7806","0.0006","7.9407","0.0007","9.6089","0.0009","82.579","0.007","76.793","0.007","83.51","0.007","424.21","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(2E)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","","- C21 H21 N O -","- C21 H21 N O -","- C21 H21 N O -","1","1","CV5350","Madeley, Lee G.; Morgans, Garreth L.; Lemmerer, Andreas; Michael, Joseph P.","(2E)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone","Acta Crystallographica Section E","2012","68","12","o3281","","10.1107/S1600536812044443","","","0.71073","MoKα","","","0.0435","","","","0.1188","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236838","16.2317","0.001","10.7821","0.0006","14.2098","0.0008","90","","105.157","0.001","90","","2400.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{N-[(diethylamino)dimethylsilyl]anilido- κN}(N,N,N',N'-tetramethylethane- 1,2-diamine-κ^2^N,N')iron(II)","","- C18 H37 Cl Fe N4 Si -","- C18 H37 Cl Fe N4 Si -","- C72 H148 Cl4 Fe4 N16 Si4 -","4","1","CV5351","Chen, Juan","Chlorido{N-[(diethylamino)dimethylsilyl]anilido-κN}(N,N,N',N'-tetramethylethane-1,2-diamine-κ^2^N,N')iron(II)","Acta Crystallographica Section E","2012","68","12","m1444","","10.1107/S1600536812044741","","","0.71073","MoKα","","0.1085","0.0604","","","0.156","0.1903","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236839","10.486","0.001","11.036","0.0011","11.363","0.0011","85.787","0.002","63.924","0.002","78.37","0.002","1156.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichloridobis[tris(4-methoxylphenyl)phosphane- κP]platinum(II) acetone disolvate","","- C48 H54 Cl2 O8 P2 Pt -","- C48 H54 Cl2 O8 P2 Pt -","- C48 H54 Cl2 O8 P2 Pt -","1","0.5","CV5352","Muller, Alfred","trans-Dichloridobis[tris(4-methoxylphenyl)phosphane-κP]platinum(II) acetone disolvate","Acta Crystallographica Section E","2012","68","12","m1475","","10.1107/S1600536812045643","","","0.71069","MoKα","","0.0194","0.019","","","","0.0401","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236840","16.62","0.003","11.6","0.002","20.168","0.004","90","","92.41","0.03","90","","3884.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato- κ^2^O^2^:O^5^)bis(1,10-phenanthroline- κ^2^N,N')dicopper(II)] N,N-dimethylformamide monosolvate]","","- C39 H33 Cu2 N5 O14 -","- C39 H33 Cu2 N5 O14 -","- C156 H132 Cu8 N20 O56 -","4","1","CV5353","Li, Ya-Feng; Qin, Xiao-Lin; Xu, Yue; Yuan, Yong-Peng; Gao, Wen-Yuan","Poly[[μ-aqua-diaquabis(μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^)bis(1,10-phenanthroline-κ^2^N,N')dicopper(II)] N,N-dimethylformamide monosolvate]","Acta Crystallographica Section E","2012","68","12","m1484","m1485","10.1107/S1600536812046041","","","0.71073","MoKα","","0.0604","0.0413","","","0.101","0.11","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236841","9.8248","0.0003","11.0222","0.0003","12.345","0.0004","72.934","0.001","74.167","0.001","74.059","0.001","1201.67","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-oxo-8-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C52 H40 F12 N4 O12 -","4","2","CV5354","Garudachari, B.; Islor, Arun M.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 4-oxo-8-trifluoromethyl-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3304","o3305","10.1107/S1600536812045321","","","0.71073","MoKα","","0.0472","0.0396","","","0.1075","0.116","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236842","10.441","0.005","9.639","0.004","11.48","0.005","90","","98.956","0.006","90","","1141.3","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(1H-benzimidazol-2-yl)acetato- κ^2^N^3^,O]bis(ethanol-κO)nickel(II)","","- C22 H26 N4 Ni O6 -","- C22 H26 N4 Ni O6 -","- C44 H52 N8 Ni2 O12 -","2","0.5","CV5355","Wang, Jun; Nie, Jian-Hua","Bis[2-(1H-benzimidazol-2-yl)acetato-κ^2^N^3^,O]bis(ethanol-κO)nickel(II)","Acta Crystallographica Section E","2012","68","12","m1461","","10.1107/S160053681204514X","","","0.71073","MoKα","","0.0981","0.0491","","","0.0873","0.1072","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236843","9.114","0.0013","10.97","0.0014","18.383","0.0017","88.51","0.01","85.455","0.009","83.034","0.012","1818.4","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","Dabigatran etexilate tetrahydrate","Ethyl 3-{[2-({4-[(Z)-amino(hexyloxycarbonylimino)methyl]anilino}methyl)-1- methylbenzimidazole-5-carbonyl]pyridin-2-ylamino}propanoate tetrahydrate","","- C34 H49 N7 O9 -","- C34 H49 N7 O9 -","- C68 H98 N14 O18 -","2","1","CV5357","Liu, Hong-Qiang; Zhang, Wei-Guang; Cai, Zhi-Qiang; Xu, Wei-Ren; Shen, Xiu-Ping","Dabigatran etexilate tetrahydrate","Acta Crystallographica Section E","2012","68","12","o3385","","10.1107/S1600536812046673","","","0.71073","MoKα","","0.0567","0.0386","","","0.097","0.1025","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236844","13.5866","0.0005","6.4212","0.0002","14.1047","0.0005","90","","109.389","0.002","90","","1160.74","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[O-methyl (4-ethoxyphenyl)dithiophosphonato- κ^2^S,S']nickel(II)","","- C18 H24 Ni O4 P2 S4 -","- C18 H24 Ni O4 P2 S4 -","- C36 H48 Ni2 O8 P4 S8 -","2","0.5","CV5358","Sewpersad, Shirveen; Omondi, Bernard; Van Zyl, Werner E.","Bis[O-methyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1483","","10.1107/S1600536812046314","","","0.71073","MoKα","","0.0263","0.0232","","","0.0598","0.0623","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236845","11.4447","0.0011","7.1447","0.0007","12.803","0.0012","90","","90","","90","","1046.89","0.17","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,5-diaminopyridine","Pyridine-2,5-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","CV5359","Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Pyridine-2,5-diamine","Acta Crystallographica Section E","2012","68","12","o3353","","10.1107/S1600536812046260","","","0.71073","MoKα","","0.0582","0.0415","","","0.0994","0.1094","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236846","11.1058","0.0004","7.2672","0.0003","22.5024","0.0009","90","","101.012","0.0011","90","","1782.69","0.12","223.1","","223.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,5-Diphenylthiocarbazonato-κS)trimethyltin(IV)","","- C16 H20 N4 S Sn -","- C16 H20 N4 S Sn -","- C64 H80 N16 S4 Sn4 -","4","1","CV5361","Von Eschwege, Karel G.; Swarts, Jannie C.; Aquino, Manuel A. S.; Cameron, T. Stanley","(1,5-Diphenylthiocarbazonato-κS)trimethyltin(IV)","Acta Crystallographica Section E","2012","68","12","m1518","","10.1107/S1600536812047216","","","0.71075","MoKα","","","0.0271","","","","0.0272","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236847","6.4961","0.0008","9.8047","0.001","12.7464","0.0013","112.13","0.009","95.507","0.01","96.601","0.009","738.45","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-N'-(4-Methoxybenzylidene)-2-m-tolylacetohydrazide","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","CV5364","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","(E)-N'-(4-Methoxybenzylidene)-2-m-tolylacetohydrazide","Acta Crystallographica Section E","2012","68","12","o3435","","10.1107/S1600536812047113","","","1.54184","CuKα","","0.0735","0.0521","","","0.1357","0.1582","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236848","5.5746","0.0002","16.4083","0.0006","18.093","0.0008","90","","96.5018","0.0014","90","","1644.32","0.11","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-oxo-4-phenyl-2-[(Z)-2-(pyridin-2-yl)ethenyl]- 1,4,5,6-tetrahydropyridine-3-carboxylate","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","CV5365","Smits, Rufus; Belyakov, Sergey; Vigante, Brigita; Duburs, Gunars","Methyl 6-oxo-4-phenyl-2-[(Z)-2-(pyridin-2-yl)ethenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3489","","10.1107/S1600536812048532","","","0.71073","MoKα","","0.1197","0.0603","","","0.1216","0.1489","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236849","9.1006","0.0011","6.2458","0.0008","10.5598","0.0013","90","","100.952","0.002","90","","589.29","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methylpyridin-2-amine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CV5366","Draguta, Sergiu; Khrustalev, Victor N.; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","6-Methylpyridin-2-amine","Acta Crystallographica Section E","2012","68","12","o3466","","10.1107/S1600536812047800","","","0.71073","MoKα","","0.0502","0.0431","","","0.1242","0.13","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236850","12.1614","0.001","22.4915","0.0018","5.0444","0.0004","90","","90","","90","","1379.79","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-chloro-3-(p-tolylamino)naphthalene-1,4-dione","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","DS2213","Gao, Li-Jiu; Liu, Yun","2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione","Acta Crystallographica Section E","2012","68","12","o3378","","10.1107/S1600536812045229","","","0.71073","MoKα","","0.0452","0.0398","","","0.1038","0.1193","","","","","","1.268","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236851","8.447","0.005","18.454","0.014","21.735","0.015","90","","90","","90","","3388","4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2aR*,5S*,6aS*,8aS*,E)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1H- pentaleno[1,6-bc]oxepine-4-carboxylate","","- C17 H24 O5 -","- C17 H24 O5 -","- C136 H192 O40 -","8","1","DS2220","Mehta, Goverdhan; Kumar, C. S. Ananda; Sen, Saikat","(2aR*,5S*,6aS*,8aS*,E)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1H-pentaleno[1,6-bc]oxepine-4-carboxylate","Acta Crystallographica Section E","2012","68","12","o3392","o3393","10.1107/S1600536812046776","","","0.71073","MoKα","","0.1432","0.0532","","","0.1218","0.1485","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236852","15.906","0.004","14.737","0.003","21.57","0.005","90","","98.846","0.007","90","","4996","2","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}- 1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane","","- C58 H44 N6 S8 -","- C58 H44 N6 S8 -","- C232 H176 N24 S32 -","4","0.5","FB2271","Mulla, Karimulla; Zhao, Yuming; Dawe, Louise N.","1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane","Acta Crystallographica Section E","2012","68","12","o3298","o3299","10.1107/S1600536812045254","","","0.71075","MoKα","","0.0729","0.0576","","","0.1476","0.1597","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236853","22.349","0.004","6.0328","0.001","7.3673","0.0012","90","","107.98","0.003","90","","944.8","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-[(4-Bromobenzylidene)amino]ethanol","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C36 H40 Br4 N4 O4 -","4","1","FB2276","Moodley, Vashen; Van Zyl, Werner E.","2-[(4-Bromobenzylidene)amino]ethanol","Acta Crystallographica Section E","2012","68","12","o3477","","10.1107/S1600536812048155","","","0.71073","MoKα","","0.028","0.025","","","0.058","0.0588","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236854","10.0945","0.0019","15.759","0.003","16.122","0.003","106.72","0.008","92.259","0.008","90.616","0.008","2453.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^- phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate","","- C18 H44 Cl N4 O2 P -","- C18 H44 Cl N4 O2 P -","- C72 H176 Cl4 N16 O8 P4 -","4","2","FF2086","Lee, Junseong; Kim, Youngjo","2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1λ^5^-phosphatricyclo[3.3.3.0^1,5^]undecan-5-ium chloride dihydrate","Acta Crystallographica Section E","2012","68","12","o3317","","10.1107/S1600536812045618","","","0.71073","MoKα","","0.1299","0.068","","","0.1745","0.2124","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2236855","9.2846","0.0015","10.7203","0.0018","29.982","0.004","90","","90","","90","","2984.2","0.8","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,6β-diacetoxy-5β-methyl-19-norcholest-9(10)-ene","19(10→5)-abeo-5β-cholest-9-ene-3β,6β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","FF2087","Ramírez Hernández, Johana; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Vega Báez, José Luis; Bernès, Sylvain","Westphalen's diol diacetate: 19(10\ρightarrow 5)-abeo-5β-cholest-9-ene-3β,6β-diyl diacetate","Acta Crystallographica Section E","2012","68","12","o3331","","10.1107/S1600536812045278","","","0.71073","MoKα","","0.0586","0.0482","","","0.1259","0.1355","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236856","11.079","0.003","11.985","0.003","12.253","0.003","62.908","0.004","84.418","0.004","80.862","0.004","1429.5","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-O-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^S:S']bis{[O-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']mercury(II)}","","- C44 H64 Hg2 O8 P4 S8 -","- C44 H64 Hg2 O8 P4 S8 -","- C44 H64 Hg2 O8 P4 S8 -","1","0.5","FF2088","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[μ-O-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S:S']bis{[O-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']mercury(II)}","Acta Crystallographica Section E","2012","68","12","m1488","m1489","10.1107/S1600536812046624","","","0.71073","MoKα","","0.0294","0.0227","","","0.0465","0.0487","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236857","15.9974","0.0012","10.7474","0.0007","19.5478","0.0013","90","","111.461","0.002","90","","3127.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-Fluorobenzoyl)-N',N''-diisopropylphosphoric triamide","","- C13 H21 F N3 O2 P -","- C13 H21 F N3 O2 P -","- C104 H168 F8 N24 O16 P8 -","8","2","FF2089","Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.","N-(4-Fluorobenzoyl)-N',N''-diisopropylphosphoric triamide","Acta Crystallographica Section E","2012","68","12","o3406","o3407","10.1107/S1600536812046326","","","0.71073","MoKα","","0.0676","0.0505","","","0.1269","0.1404","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236858","8.4432","0.0005","5.303","0.0004","16.3443","0.0011","90","","90.453","0.006","90","","731.78","0.09","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Diphenyl (isopropylamido)phosphate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C30 H36 N2 O6 P2 -","2","1","FF2090","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","Diphenyl (isopropylamido)phosphate","Acta Crystallographica Section E","2012","68","12","o3459","","10.1107/S1600536812047940","","","0.71073","MoKα","","0.0286","0.0273","","","0.08","0.0808","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236859","10.9512","0.0005","18.1315","0.0009","12.5453","0.0007","90","","96.594","0.002","90","","2474.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-Tetramethylguanidinium tetraphenylborate","","- C29 H34 B N3 -","- C29 H34 B N3 -","- C116 H136 B4 N12 -","4","1","FF2091","Tiritiris, Ioannis","N,N,N',N'-Tetramethylguanidinium tetraphenylborate","Acta Crystallographica Section E","2012","68","12","o3500","","10.1107/S160053681204860X","","","0.71073","MoKα","","0.0463","0.0411","","","0.1073","0.1123","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236860","7.1049","0.0007","10.3558","0.0008","13.4325","0.0009","90","","90","","90","","988.32","0.14","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzamidinium nitrate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","FI2127","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium nitrate","Acta Crystallographica Section E","2012","68","12","o3334","","10.1107/S1600536812045874","","","0.71069","MoKα","","0.0539","0.0377","","","0.0784","0.0829","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236861","6.4438","0.0019","15.2328","0.0015","9.9672","0.0008","90","","98.416","0.019","90","","967.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate","","- C7 H11 N3 O2 S -","- C7 H11 N3 O2 S -","- C28 H44 N12 O8 S4 -","4","1","FJ2601","Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Fruziński, Andrzej; Olender, Ewa","Ethyl 2-(3-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate","Acta Crystallographica Section E","2012","68","12","o3264","o3265","10.1107/S1600536812044716","","","0.71073","MoKα","","0.1413","0.062","","","0.1627","0.1975","","","","","","0.93","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236862","5.785","0.0001","14.7824","0.0003","14.3589","0.0003","90","","104.858","0.001","90","","1186.86","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1'-[2,4-Bis(3-nitrophenyl)cyclobutane-1,3-diyl]diphenylmethanone","[3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","0.5","FJ2603","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","[3-Benzoyl-2,4-bis(3-nitrophenyl)cyclobutyl](phenyl)methanone","Acta Crystallographica Section E","2012","68","12","o3272","o3273","10.1107/S1600536812044650","","","0.71073","MoKα","","0.0523","0.0399","","","0.1017","0.1109","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236863","8.0163","0.0004","8.0163","0.0004","35.3103","0.0018","90","","90","","90","","2269.1","0.2","123","2","123","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","Poly[[μ-N,N'-bis(2-hydroxyethyl)- N,N,N',N'-tetramethylpropane-1,3-diaminium- κ^2^O:O']tetra-μ-bromido-dibromidodimanganese(II)]","","- C11 H28 Br6 Mn2 N2 O2 -","- C11 H28 Br6 Mn2 N2 O2 -","- C44 H112 Br24 Mn8 N8 O8 -","4","0.5","FJ2604","Rinta, Heikki; Peuronen, Anssi; Lahtinen, Manu","Poly[[μ-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-κ^2^O:O']tetra-μ-bromido-dibromidodimanganese(II)]","Acta Crystallographica Section E","2012","68","12","m1453","m1454","10.1107/S1600536812044765","","","0.71073","MoKα","","0.0242","0.0214","","","0.0462","0.047","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236864","8.9167","0.0003","8.9223","0.0003","13.4125","0.0005","102.895","0.001","97.098","0.002","116.035","0.001","904.22","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-c]quinoline-2-carboxylate","","- C19 H16 F3 N O6 -","- C19 H16 F3 N O6 -","- C38 H32 F6 N2 O12 -","2","1","FJ2605","Garudachari, B.; Islor, Arun M.; Vijesh, A. M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 3-(2-ethoxy-2-oxoethoxy)-6-(trifluoromethyl)furo[3,2-c]quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","12","o3389","o3390","10.1107/S1600536812046843","","","0.71073","MoKα","","0.0378","0.0336","","","0.0914","0.096","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236865","9.4227","0.0002","15.6479","0.0003","9.5281","0.0002","90","","102.878","0.001","90","","1369.54","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[O-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)","","- C22 H32 Ni O4 P2 S4 -","- C22 H32 Ni O4 P2 S4 -","- C44 H64 Ni2 O8 P4 S8 -","2","0.5","FJ2606","Sewpersad, Shirveen; Omondi, Bernard; Van Zyl, Werner E.","Bis[O-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']nickel(II)","Acta Crystallographica Section E","2012","68","12","m1534","","10.1107/S1600536812047368","","","0.71073","MoKα","","0.0193","0.0186","","","0.0522","0.0529","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236866","9.6305","0.0011","13.8027","0.0014","21.36","0.002","82.484","0.002","84.635","0.002","79.975","0.002","2764.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N,N-Bis(diphenylthiophosphinoyl)-4-ethylaniline","","- C32 H29 N P2 S2 -","- C32 H29 N P2 S2 -","- C128 H116 N4 P8 S8 -","4","2","FJ2607","Ajibade, Peter A.; Onwudiwe, Damian C.; Omondi, Bernard","N,N-Bis(diphenylthiophosphinoyl)-4-ethylaniline","Acta Crystallographica Section E","2012","68","12","o3491","o3492","10.1107/S1600536812048416","","","0.71073","MoKα","","0.0748","0.0419","","","0.0926","0.1071","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236867","7.7532","0.0003","9.3081","0.0003","15.6969","0.0003","86.39","0.002","89.813","0.002","87.656","0.002","1129.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1618 C20H18N2O5S+DMF","4-({(Z)-5-[(Z)-3-Ethoxy-4-hydroxybenzylidene]-3-methyl-4-oxo- 1,3-thiazolidin-2-ylidene}amino)benzoic acid; dimethylformamide monosolvate","","- C23 H25 N3 O6 S -","- C23 H25 N3 O6 S -","- C46 H50 N6 O12 S2 -","2","1","FK2066","Kosma, Paul; Selzer, Edgar; Mereiter, Kurt","4-({(Z)-5-[(Z)-3-Ethoxy-4-hydroxybenzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","12","o3417","o3418","10.1107/S1600536812047307","","","0.71073","MoKα","","0.0364","0.0332","","","0.0905","0.0936","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236868","7.5263","0.0002","16.2157","0.0004","20.885","0.0005","90","","90","","90","","2548.89","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-N-methoxy-N-methylcholest-5-ene-24-carboxamide","","- C26 H42 Cl N O2 -","- C26 H42 Cl N O2 -","- C104 H168 Cl4 N4 O8 -","4","1","FY2071","González, Karilys; Nieves, Karinel; Rodríguez, Abimael D.","3β-Chloro-N-methoxy-N-methylcholest-5-ene-24-carboxamide","Acta Crystallographica Section E","2012","68","12","o3471","","10.1107/S160053681204679X","","","0.71073","MoKα","","0.1123","0.0557","","","0.131","0.1565","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236869","14.329","0.005","6.082","0.005","20.401","0.005","90","","91.608","0.005","90","","1777.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-(trifluoromethoxy)isatin","5-(trifluoromethoxy)-1H-indole-2,3-dione","","- C9 H4 F3 N O3 -","- C9 H4 F3 N O3 -","- C72 H32 F24 N8 O24 -","8","2","FY2072","Schutte, M.; Pretorius, C.; Visser, H.G.; Roodt, A.","5-(Trifluoromethoxy)isatin","Acta Crystallographica Section E","2012","68","12","o3472","","10.1107/S1600536812044297","","","0.71069","MoKα","","0.0504","0.0364","","","","0.1019","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236870","14.45","0.0005","14.33","0.0005","6.9918","0.0002","90","","97.804","0.002","90","","1434.37","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C48 H48 Cl4 N12 O20 -","4","1","FY2073","Savig, Kelsey L.; Lemmerer, Andreas","4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate","Acta Crystallographica Section E","2012","68","12","o3361","","10.1107/S1600536812046077","","","0.71073","MoKα","","","0.0434","","","","0.1216","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236871","21.435","0.006","8.897","0.003","12.738","0.004","90","","111.753","0.003","90","","2256.2","1.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(10H-phenothiazin-10-yl)ethanone","","- C14 H11 N O S -","- C14 H11 N O S -","- C112 H88 N8 O8 S8 -","8","1","FY2074","Tokunaga, Eri; Okuno, Tsunehisa","1-(10H-phenothiazin-10-yl)ethanone","Acta Crystallographica Section E","2012","68","12","o3369","","10.1107/S1600536812045904","","","0.71075","MoKα","","","0.031","","","","0.0806","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236872","9.4736","0.0003","19.6185","0.0007","10.8018","0.0003","90","","108.833","0.001","90","","1900.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Cyclopentyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","","- C22 H23 F O3 S -","- C22 H23 F O3 S -","- C88 H92 F4 O12 S4 -","4","1","FY2075","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-(4-fluorophenyl)-3-isopropylsulfonyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3336","","10.1107/S1600536812045916","","","0.71073","MoKα","","0.0482","0.0397","","","0.0974","0.1026","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236873","9.3077","0.0003","12.9458","0.0006","19.8381","0.0006","107.875","0.001","98.461","0.002","92.718","0.002","2239.35","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis{(E)-3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(E)-N-(3-amino-2,2-dimethylpropyl)-2- (hydroxyimino)propanamido(2-)]bis{[(E)-N-(3-amino- 2,2-dimethylpropyl)-2-(hydroxyimino)propanamide]copper(II)} bis((E)-{3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropyl}carbamate) acetonitrile disolvate","","- C70 H138 Cu2 N26 O20 -","- C70 H138 Cu2 N26 O20 -","- C70 H138 Cu2 N26 O20 -","1","0.5","GG2096","Buvailo, Andrii I.; Pavlishchuk, Anna V.; Penkova, Larysa V.; Kotova, Natalia V.; Haukka, Matti","Bis{(E)-3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropan-1-aminium} bis[μ-(E)-N-(3-amino-2,2-dimethylpropyl)-2-(hydroxyimino)propanamido(2{-})]bis{[(E)-N-(3-amino-2,2-dimethylpropyl)-2-(hydroxyimino)propanamide]copper(II)} bis((E)-{3-[2-(hydroxyimino)propanamido]-2,2-dimethylpropyl}carbamate) acetonitrile disolvate","Acta Crystallographica Section E","2012","68","12","m1480","m1481","10.1107/S160053681204620X","","","0.71073","MoKα","","0.0832","0.0533","","","0.1304","0.1469","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236874","6.1307","0.001","6.5226","0.0012","34.739","0.006","90.021","0.003","92.749","0.003","110.674","0.003","1298","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Benzyl-1H-benzimidazol-2-yl)ethanone","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","2","GG2103","Zhang, Chuan-Jing; Xu, Xiu-Zhen; Yang, Ning; Zhao, Ren-Ying; Ge, Yan-Qing","1-(1-Benzyl-1H-benzimidazol-2-yl)ethanone","Acta Crystallographica Section E","2012","68","12","o3340","","10.1107/S1600536812043875","","","0.71073","MoKα","","0.0779","0.068","","","0.1818","0.1891","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236875","12.78","0.0004","4.953","0.0011","28.781","0.002","90","","97.726","0.005","90","","1805.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-Acetylaminobutyl-9-chloroquino[3,2-b]benzo[1,4]thiazine","N-[4-(9-Chloroquino[3,2-b]benzo[1,4]thiazin-6-yl)butyl]acetamide","","- C21 H20 Cl N3 O S -","- C21 H20 Cl N3 O S -","- C84 H80 Cl4 N12 O4 S4 -","4","1","GK2524","Jeleń, Małgorzata; Suwińska, Kinga; Pluta, Krystian; Morak-Młodawska, Beata","N-[4-(9-Chloroquino[3,2-b]benzo[1,4]thiazin-6-yl)butyl]acetamide","Acta Crystallographica Section E","2012","68","12","o3324","o3325","10.1107/S1600536812045680","","","0.71073","MoKα","","0.115","0.0667","","","0.1095","0.1269","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236876","10.2092","0.0008","11.7016","0.001","12.9915","0.001","89.297","0.002","85.016","0.002","69.034","0.001","1443.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Bis[O-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^S,S']lead(II)","","- C22 H32 O4 P2 Pb S4 -","- C22 H32 O4 P2 Pb S4 -","- C44 H64 O8 P4 Pb2 S8 -","2","1","GK2529","Sewpersad, Shirveen; Van Zyl, Werner E.","Bis[O-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^S,S']lead(II)","Acta Crystallographica Section E","2012","68","12","m1502","","10.1107/S1600536812046818","","","0.71073","MoKα","","0.0245","0.02","","","0.0441","0.0454","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236877","13.3011","0.0004","10.1155","0.0003","19.5597","0.0006","90","","103.997","0.003","90","","2553.56","0.14","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Nitrato-κ^2^O,O')bis(1,10-phenanthroline- κ^2^N,N')copper(II) tricyanomethanide","","- C28 H16 Cu N8 O3 -","- C28 H16 Cu N8 O3 -","- C112 H64 Cu4 N32 O12 -","4","1","GK2531","Lacková, Katarína; Potočňák, Ivan","(Nitrato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')copper(II) tricyanomethanide","Acta Crystallographica Section E","2012","68","12","m1553","m1554","10.1107/S1600536812047757","","","0.71069","MoKα","","0.063","0.0398","","","0.0862","0.0969","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236878","5.8249","0.0011","11.248","0.002","27.207","0.006","90","","91.77","0.008","90","","1781.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5-dihexyl-thiophene 1,1-dioxide","2,5-Dihexylthiophene 1,1-dioxide","","- C16 H28 O2 S -","- C16 H28 O2 S -","- C64 H112 O8 S4 -","4","1","GK2532","Van Tonder, Johannes; Gohain, Mukut; Loganathan, Nagarajan; Bezuidenhoudt, Barend C. B.","2,5-Dihexylthiophene 1,1-dioxide","Acta Crystallographica Section E","2012","68","12","o3437","","10.1107/S1600536812046867","","","0.71073","MoKα","","0.0891","0.0622","","","0.1499","0.1672","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236879","4.9848","0.0003","38.714","0.002","10.3299","0.0007","90","","90","","90","","1993.5","0.2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Bis{(E)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","","- C20 H26 Cl N3 O2 -","- C20 H26 Cl N3 O2 -","- C80 H104 Cl4 N12 O8 -","4","0.5","GO2068","AlDamen, Murad A.; Haddad, Salim F.","Bis{(E)-3-[(2-hydroxybenzylidene)amino]propyl}ammonium chloride","Acta Crystallographica Section E","2012","68","12","o3314","","10.1107/S1600536812045424","","","0.7107","MoKα","","0.0914","0.0759","","","0.1436","0.1503","","","","","","1.208","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236880","6.7369","0.0001","14.7635","0.0003","16.3543","0.0003","90","","90","","90","","1626.6","0.05","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H22 Br2 O -","- C16 H22 Br2 O -","- C64 H88 Br8 O4 -","4","1","GO2074","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; El Ammari, Lahcen; Berraho, Moha","(1S,3R,8R)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2012","68","12","o3341","o3342","10.1107/S1600536812046089","","","0.71073","MoKα","","0.0366","0.0295","","","0.0713","0.0739","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236881","5.1351","0.0006","7.8346","0.0009","15.6157","0.0018","86.217","0.002","81.321","0.001","72.101","0.002","590.86","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[4-Acetyl-1,3-phenylenebis(oxy)]diacetic acid","","- C12 H12 O7 -","- C12 H12 O7 -","- C24 H24 O14 -","2","1","GO2075","Wang, Jian-Guo; Yan, Ping; Zhong, Chan-juan; Yu, Guo-zhen","2,2'-[4-Acetyl-1,3-phenylenebis(oxy)]diacetic acid","Acta Crystallographica Section E","2012","68","12","o3470","","10.1107/S1600536812047897","","","0.71073","MoKα","","0.0392","0.0362","","","0.1155","0.1199","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236882","6.4486","0.0006","9.6324","0.0011","11.0837","0.0011","83.061","0.006","89.134","0.005","73.987","0.005","656.79","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MgM195","N-(2-Oxo-2H-chromen-3-yl)cyclohexanecarboxamide","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","GO2076","Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio","N-(2-Oxo-2H-chromen-3-yl)cyclohexanecarboxamide","Acta Crystallographica Section E","2012","68","12","o3447","o3448","10.1107/S1600536812047903","","","0.71073","MoKα","","0.0666","0.0451","","","0.1029","0.1125","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236883","16.372","0.004","8.795","0.002","12.007","0.003","90","","108.133","0.005","90","","1643","0.7","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4,6-dimethylpyrimidin-1-ium chloride","","- C6 H10 Cl N3 -","- C6 H10 Cl N3 -","- C48 H80 Cl8 N24 -","8","1","GW2128","Hu, Hui-Ling; Yeh, Chun-Wei","2-Amino-4,6-dimethylpyrimidin-1-ium chloride","Acta Crystallographica Section E","2012","68","12","o3372","","10.1107/S1600536812046569","","","0.71073","MoKα","","0.0661","0.0386","","","0.0966","0.1051","","","","","","0.898","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236884","7.225","0.0009","17.863","0.002","22.086","0.003","90","","90.162","0.008","90","","2850.4","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexakis(lithium/sodium) undecamolybdate","","- Li0.17 Mo11 Na5.83 O36 -","- Li0.17 Mo11 Na5.832 O36 -","- Li0.68 Mo44 Na23.328 O144 -","4","0.5","HB6937","Ennajeh, Ines; Hamza, Hamadi; Zid, Mohamed Faouzi; Driss, Ahmed","Li~0.17~Na~5.83~Mo~11~O~36~","Acta Crystallographica Section E","2012","68","12","i88","","10.1107/S1600536812044224","","","0.71073","MoKα","","0.0383","0.0365","","","0.0946","0.0954","","","","","","1.327","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236885","8.765","0.005","10.697","0.005","11.062","0.005","106.994","0.005","92.226","0.005","90.977","0.005","990.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-2,5-Dihydroxyterephthalato-bis[triaqua(1,10-phenanthroline)zinc] dihydroxyterephthalate","","- C40 H36 N4 O18 Zn2 -","- C40 H36 N4 O18 Zn2 -","- C40 H36 N4 O18 Zn2 -","1","0.5","HB6960","Liu, Hong; Liu, Bo; Zhang, Ai-Ping; Li, Chuan-Bi","μ-2,5-Dihydroxyterephthalato-bis[triaqua(1,10-phenanthroline)zinc] dihydroxyterephthalate","Acta Crystallographica Section E","2012","68","12","m1503","m1504","10.1107/S1600536812045837","","","0.71073","MoKα","","0.0469","0.036","","","0.0806","0.0861","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236886","13.5954","0.0003","8.0683","0.0002","25.9554","0.0007","90","","90","","90","","2847.09","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C112 H128 N16 O32 S8 -","8","2","HB6962","Bhatt, Nilay; Bhatt, Pralav; Nimavat, Kiran; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ^6^,2,6-thiadiazin-4-yl)benzoate","Acta Crystallographica Section E","2012","68","12","o3360","","10.1107/S1600536812046375","","","0.71073","MoKα","","0.0649","0.0372","","","0.0742","0.0825","","","","","","0.985","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236887","8.5815","0.0017","9.2928","0.0019","12.753","0.003","69.99","0.03","87.63","0.03","65.85","0.03","866.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')zinc]-μ- furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] dihydrate]","","- C16 H16 N2 O8 Zn -","- C16 H16 N2 O8 Zn -","- C32 H32 N4 O16 Zn2 -","2","1","HB6980","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","catena-Poly[[[aqua(2,2'-bipyridine-κ^2^N,N')zinc]-μ-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^] dihydrate]","Acta Crystallographica Section E","2012","68","12","m1466","","10.1107/S1600536812045503","","","0.71073","MoKα","","0.0402","0.0356","","","0.0985","0.1016","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236888","7.1584","0.001","8.1183","0.0013","11.5338","0.0016","95.352","0.011","99.852","0.01","105.854","0.01","628.3","0.17","103","","103","","","","","","","","","4","P -1","-P 1","2","","2,6-Dichlorophenyl 4-chlorobenzoate","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C26 H14 Cl6 O4 -","2","1","HB6981","Abdoh, M. M. M; Srinivasa Murthy, V.; Manjunath, B. C.; Shashikanth, S.; Lokanath, N. K.","2,6-Dichlorophenyl 4-chlorobenzoate","Acta Crystallographica Section E","2012","68","12","o3449","","10.1107/S1600536812047204","","","0.71073","MoKα","","0.0755","0.0538","","","0.1407","0.1579","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236889","5.7731","0.001","7.9855","0.0014","14.046","0.003","89.49","0.006","80.111","0.005","87.21","0.006","637.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Methyl 4-benzyloxy-2-hydroxybenzoate","","- C15 H14 O4 -","- C15 H14 O4 -","- C30 H28 O8 -","2","1","HB6982","Palakshamurthy, B. S.; Srinivasa, H. T.; Kumar, Vijith; Sreenivasa, S.; Devarajegowda, H. C.","Methyl 4-benzyloxy-2-hydroxybenzoate","Acta Crystallographica Section E","2012","68","12","o3382","","10.1107/S1600536812046491","","","0.71073","MoKα","","0.0588","0.0424","","","0.1182","0.1294","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236890","4.6894","0.0005","10.8353","0.0013","11.754","0.0013","77.721","0.01","83.805","0.009","82.112","0.01","576.13","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","HB6983","Akkurt, Mehmet; Kennedy, Alan R.; Younes, Sabry H. H.; Mohamed, Shaaban K.; Abdelhamid, Antar A.","4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one","Acta Crystallographica Section E","2012","68","12","o3356","","10.1107/S160053681204651X","","","0.71073","MoKα","","0.0833","0.0534","","","0.1175","0.1398","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236891","4.6152","0.0001","9.9444","0.0001","26.3152","0.0003","90","","90.692","0.001","90","","1207.66","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Z)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazono]acetate","(Z)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]acetate","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C44 H52 Cl4 N8 O8 -","4","1","HB6984","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Alamry, Khalid A.; Bokhari, Tanveer Hussain","(Z)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]acetate","Acta Crystallographica Section E","2012","68","12","o3420","","10.1107/S1600536812046521","","","1.54184","CuKα","","0.0429","0.04","","","0.1099","0.1129","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236892","6.6203","0.0002","14.1043","0.0003","14.4936","0.0003","113.862","0.001","97.771","0.002","98.06","0.002","1197.58","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate","","- C52 H38 N4 O8 -","- C52 H38 N4 O8 -","- C52 H38 N4 O8 -","1","0.5","HB6985","Miranda, Micael D.; Ramos Silva, Manuela; Maria, Teresa M. R.; Balakrishna, Avula; Sobral, Abilio J. F. N.","5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate","Acta Crystallographica Section E","2012","68","12","o3462","o3463","10.1107/S1600536812047332","","","0.71073","MoKα","","0.1133","0.0804","","","0.2281","0.2479","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236893","34.524","0.008","3.9994","0.0009","23.428","0.005","90","","126.804","0.003","90","","2590.1","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2E)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","","- C13 H8 Br2 O S -","- C13 H8 Br2 O S -","- C104 H64 Br16 O8 S8 -","8","2","HB6986","Vepuri, Suresh B.; Devarajegowda, H. C.; Jeyaseelan, S.; Anbazhagan, S.; Prasad, Y. Rajendra","(2E)-3-(2-Bromophenyl)-1-(5-bromothiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3456","","10.1107/S1600536812047939","","","0.71073","MoKα","","0.0756","0.0474","","","0.096","0.109","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236894","24.7908","0.0012","8.2419","0.0004","13.8764","0.0006","90","","91.968","0.002","90","","2833.6","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(2-Amino-6-methylpyrimidin-4-yl)-N,N-dimethylpiperidin- 4-aminium chloride","","- C12 H22 Cl N5 -","- C12 H22 Cl N5 -","- C96 H176 Cl8 N40 -","8","1","HB6988","Sreenivasa, S.; ManojKumar, K.E.; Suchetan, P.A.; Srinivasan, T.; Palakshamurthy, B. S.; Velmurgan, D.","1-(2-Amino-6-methylpyrimidin-4-yl)-N,N-dimethylpiperidin-4-aminium chloride","Acta Crystallographica Section E","2012","68","12","o3371","","10.1107/S1600536812046533","","","0.71073","MoKα","","0.0397","0.0363","","","0.1048","0.1074","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236895","6.4301","0.0004","12.0307","0.0007","21.069","0.0013","90","","90","","90","","1629.87","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen- 3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","HB6989","Tantishaiyakul, Vimon; Suknuntha, Krit; Saithong, Saowanit; Pakawatchai, Chaveng","Glabridin","Acta Crystallographica Section E","2012","68","12","o3501","","10.1107/S1600536812048647","","","0.71073","MoKα","","0.0552","0.0464","","","0.0911","0.0946","","","","","","1.157","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236896","17.523","0.004","12.562","0.003","13.438","0.003","90","","123.44","0.03","90","","2468.4","1.3","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-O)copper(II) propane-1,3-diol monosolvate","","- C27 H24 Cu N4 O6 S -","- C27 H24 Cu N4 O6 S -","- C108 H96 Cu4 N16 O24 S4 -","4","1","HB6990","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-O)copper(II) propane-1,3-diol monosolvate","Acta Crystallographica Section E","2012","68","12","m1555","","10.1107/S1600536812047721","","","0.71073","MoKα","","0.037","0.0358","","","0.0936","0.0944","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236897","7.24","0.003","8.635","0.004","19.545","0.008","90","","97.352","0.006","90","","1211.9","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxyphenyl)-6,7-dihydro-1H-furo[3,4-c]pyran-4(3H) -one","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","HB6991","Zhang, Jingyi; An, Ye; Zhang, Yikai; Shi, Guobing","3-(4-Methoxyphenyl)-6,7-dihydro-1H-furo[3,4-c]pyran-4(3H)-one","Acta Crystallographica Section E","2012","68","12","o3451","","10.1107/S160053681204723X","","","0.71073","MoKα","","0.0907","0.0737","","","0.2109","0.2265","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236898","10.1771","0.0002","19.923","0.0003","12.5723","0.0002","90","","90.386","0.002","90","","2549.08","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bromidotetrakis(2-ethyl-1H-imidazole-κN^3^)copper(II) bromide","","- C20 H32 Br2 Cu N8 -","- C20 H32 Br2 Cu N8 -","- C80 H128 Br8 Cu4 N32 -","4","1","HB6993","Godlewska, Sylwia; Kelm, Harald; Krüger, Hans-Jörg; Dołega, Anna","Bromidotetrakis(2-ethyl-1H-imidazole-κN^3^)copper(II) bromide","Acta Crystallographica Section E","2012","68","12","m1529","","10.1107/S1600536812047447","","","1.54184","CuKα","","0.0266","0.0238","","","0.0592","0.06","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236899","9.463","0.002","17.303","0.004","8.5403","0.0018","90","","104.427","0.005","90","","1354.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","HB6996","Ashiq, Uzma; Jamal, Rifat Ara; Ismail, Hina; Khan, Khalid Mohammed; Yousuf, Sammer","3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one","Acta Crystallographica Section E","2012","68","12","o3473","","10.1107/S1600536812047988","","","0.71073","MoKα","","0.0681","0.0473","","","0.1045","0.1162","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236900","9.09","0.0008","9.9396","0.0009","13.8615","0.0012","90","","90","","90","","1252.4","0.19","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HB6997","Saad, Syed Muhammad; Fatima, Itrat; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer","N'-(3-Chlorobenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3499","","10.1107/S1600536812048325","","","0.71073","MoKα","","0.0448","0.0365","","","0.0762","0.081","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236901","42.313","0.006","8.0047","0.0011","16.1078","0.0018","90","","105.819","0.004","90","","5249.1","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitrophenyl 4-hydroxy-3-methylbenzoate","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C224 H176 N16 O80 -","16","2","HB6999","Sreenivasa, S.; Devarajegowda, H. C.; Srinivasa, H. T.; Kumar, Vijith; Palakshamurthy, B. S.","4-Nitrophenyl 4-hydroxy-3-methylbenzoate","Acta Crystallographica Section E","2012","68","12","o3490","","10.1107/S1600536812048271","","","0.71073","MoKα","","0.0692","0.0469","","","0.1275","0.1428","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236902","10.9624","0.0016","7.8687","0.0012","14.292","0.002","90","","106.727","0.002","90","","1180.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Cyano-Indole","1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-indole-5-carbonitrile","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","HB7000","de Jager, Josephus Jacobus; Smith, Vincent J.","1-[(1-Methyl-1H-imidazol-5-yl)methyl]-1H-indole-5-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3486","","10.1107/S1600536812048404","","","0.71073","MoKα","","0.0553","0.0422","","","0.106","0.1129","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236903","11.8893","0.0002","6.0207","0.0001","15.8036","0.0003","90","","110.549","0.002","90","","1059.27","0.03","296","2","296","2","","","","","","","","5","I 1 a 1","I -2ya","9","","cis-Dichloridobis(N,N,N',N'-tetramethylethane-1,2-diamine)platinum(II)","","- C6 H16 Cl2 N2 Pt -","- C6 H16 Cl2 N2 Pt -","- C24 H64 Cl8 N8 Pt4 -","4","1","HB7001","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Bokhari, Tanveer Hussain","cis-Dichloridobis(N,N,N',N'-tetramethylethane-1,2-diamine)platinum(II)","Acta Crystallographica Section E","2012","68","12","m1562","","10.1107/S1600536812048295","","","1.54184","CuKα","","0.0442","0.0441","","","0.1152","0.1159","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236904","7.2745","0.0003","9.3164","0.0003","22.2744","0.0009","90","","90.927","0.003","90","","1509.39","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide","","- C15 H17 Fe I N2 -","- C15 H17 Fe I N2 -","- C60 H68 Fe4 I4 N8 -","4","1","HG5258","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium iodide","Acta Crystallographica Section E","2012","68","12","m1469","","10.1107/S1600536812045400","","","1.54184","CuKα","","0.0526","0.0489","","","0.1313","0.134","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236905","36.559","0.009","6.9044","0.0018","15.524","0.004","90","","103.852","0.003","90","","3804.6","1.7","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-Aminopyrimidin-5-yl)-4-methyl-N-(4- methylphenylsulfonyl)benzenesulfonamide","","- C18 H18 N4 O4 S2 -","- C18 H18 N4 O4 S2 -","- C144 H144 N32 O32 S16 -","8","1","HG5262","Taher, Abu; Smith, Vincent J.","N-(4-Aminopyrimidin-5-yl)-4-methyl-N-(4-methylphenylsulfonyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3362","","10.1107/S1600536812046442","","","0.71073","MoKα","","0.0724","0.0458","","","0.1043","0.1156","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236906","8.5905","0.0002","10.8253","0.0003","11.3702","0.0003","91.021","0.001","97.922","0.001","93.445","0.001","1045.02","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H27 N3 O4 -","- C23 H27 N3 O4 -","- C46 H54 N6 O8 -","2","1","HG5264","Islor, Arun M.; Malladi, Shridhar; Telkar, Sandeep; Gerber, Thomas; Hosten, Eric; Betz, Richard","Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2012","68","12","o3269","o3270","10.1107/S1600536812044649","","","0.71073","MoKα","","0.0481","0.0414","","","0.1076","0.1133","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236907","10.1878","0.0003","16.6399","0.0004","17.4959","0.0005","90","","106.205","0.003","90","","2848.13","0.14","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1H-benzimidazole","1,2-Diphenyl-1H-benzimidazole","","- C19 H14 N2 -","- C19 H14 N2 -","- C152 H112 N16 -","8","1","HG5265","Rosepriya, S.; Thiruvalluvar, A.; Jayamoorthy, K.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R. J.","1,2-Diphenyl-1H-benzimidazole","Acta Crystallographica Section E","2012","68","12","o3283","","10.1107/S1600536812044960","","","0.71073","MoKα","","0.0688","0.0521","","","0.1275","0.1369","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236908","9.1544","0.0004","18.9619","0.0008","12.979","0.0005","90","","105.623","0.004","90","","2169.72","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate","","- C23 H25 Br N2 O3 S -","- C23 H25 Br N2 O3 S -","- C92 H100 Br4 N8 O12 S4 -","4","1","HG5266","El-Khouly, Ahmed; Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; Şafak, Cihat","9-(5-Bromo-1H-indol-3-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2012","68","12","o3337","","10.1107/S1600536812045886","","","1.54184","CuKα","","0.054","0.0519","","","0.1349","0.1371","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236909","10.72","0.0003","7.4015","0.0002","20.8517","0.0006","90","","93.044","0.001","90","","1652.12","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","2","HG5267","Nyamori, Vincent O.; Keru, Godfrey; Omondi, Bernard","(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene","Acta Crystallographica Section E","2012","68","12","m1535","","10.1107/S1600536812047812","","","0.71073","MoKα","","0.0239","0.0221","","","0.0593","0.0607","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236910","20.08","0.0004","16.0136","0.0002","10.3752","0.0002","90","","117.69","0.003","90","","2954.1","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate","","- C14.5 H12 Cl2 N2 O S -","- C14.5 H12 Cl2 N2 O S -","- C116 H96 Cl16 N16 O8 S8 -","8","1","HG5268","Selvakumaran, N.; Sheeba, M. Mary; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate","Acta Crystallographica Section E","2012","68","12","o3313","","10.1107/S1600536812045588","","","1.54184","CuKα","","0.0323","0.031","","","0.0888","0.0897","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236911","14.0044","0.0006","16.8802","0.0005","18.8341","0.0007","90","","105.582","0.004","90","","4288.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C184 H200 Br8 N16 O24 -","8","2","HG5269","Gündüz, Miyase Gözde; Butcher, Ray J.; Öztürk Yildirim, Sema; El-Khouly, Ahmed; Şafak, Cihat; Şimşek, Rahime","Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3404","o3405","10.1107/S1600536812046909","","","1.54184","CuKα","","0.0681","0.058","","","0.1495","0.159","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236912","7.489","0.003","9.338","0.004","13.274","0.005","65.674","0.013","69.975","0.016","73.639","0.017","783.9","0.6","123.15","","123","2","","","","","","","","6","P -1","-P 1","2","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","","- C16 H15 Cl N2 O S -","- C16 H15 Cl N2 O S -","- C32 H30 Cl2 N4 O2 S2 -","2","1","HG5274","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin","1-(2-Chlorobenzoyl)-3-(2,3-dimethylphenyl)thiourea","Acta Crystallographica Section E","2012","68","12","o3483","","10.1107/S1600536812048209","","","0.7107","MoKα","","0.038","0.0361","","","0.089","0.0903","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236913","10.5673","0.0009","21.5085","0.0019","15.1215","0.0014","90","","97.309","0.002","90","","3409","0.5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato- κ^2^N,O]zinc chloroform disolvate","","- C30 H26 Cl6 N2 O2 S2 Zn -","- C30 H26 Cl6 N2 O2 S2 Zn -","- C120 H104 Cl24 N8 O8 S8 Zn4 -","4","0.5","HP2049","Chen, Yen-Jen; Hsiao, Mon-Wei; Jheng, Nai-Yuan; Lai, Yi-Chun; Chen, Hsuan-Ying","Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato-κ^2^N,O]zinc chloroform disolvate","Acta Crystallographica Section E","2012","68","12","m1496","","10.1107/S1600536812045473","","","0.71073","MoKα","","0.0616","0.0438","","","0.1223","0.1354","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236914","10.102","0.002","11.629","0.002","12.796","0.003","98.56","0.03","93.07","0.03","93.04","0.03","1481.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Aquabis(nitrato-κO)copper(II)]μ-{bis[5-methyl-3-(pyridin-2-yl)- 1H-pyrazol-4-yl]selenide}-[diaqua(nitrato-κO)copper(II)] nitrate monohydrate","","- C18 H24 Cu2 N10 O16 Se -","- C18 H24 Cu2 N10 O16 Se -","- C36 H48 Cu4 N20 O32 Se2 -","2","1","HY2595","Seredyuk, Maksym; Pavlenko, Vadim A.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S.","[Aquabis(nitrato-κO)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua(nitrato-κO)copper(II)] nitrate monohydrate","Acta Crystallographica Section E","2012","68","12","m1472","m1473","10.1107/S1600536812045217","","","0.71073","MoKα","","0.1451","0.08","","","0.1887","0.2228","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236915","9.3","0.005","9.88","0.005","11.02","0.005","95.49","0.005","102.93","0.005","114","0.005","881.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1H-imidazol-1- yl)pentane-κ^2^N^3^:N^3'^]] naphthalene-1,5-disulfonate]","","- C32 H38 Cu N8 O8 S2 -","- C32 H38 Cu N8 O8 S2 -","- C32 H38 Cu N8 O8 S2 -","1","0.5","HY2599","Zhang, Lai-Ping; Wen, Shu-Tang; Fu, Xiao-Ning","catena-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1H-imidazol-1-yl)pentane-κ^2^N^3^:N^3'^]] naphthalene-1,5-disulfonate]","Acta Crystallographica Section E","2012","68","12","m1505","","10.1107/S1600536812045679","","","0.71073","MoKα","","0.1426","0.0739","","","0.1374","0.1672","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236916","7.5541","0.0007","9.7249","0.0007","17.7352","0.0016","90","","97.392","0.007","90","","1292.05","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromido(6-methyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","","- C11 H10 Br2 Co N2 -","- C11 H10 Br2 Co N2 -","- C44 H40 Br8 Co4 N8 -","4","1","HY2600","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","Dibromido(6-methyl-2,2'-bipyridine-κ^2^N,N')cobalt(II)","Acta Crystallographica Section E","2012","68","12","m1460","","10.1107/S1600536812045230","","","0.71073","MoKα","","0.1418","0.085","","","0.1479","0.1635","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236917","10.1704","0.0004","12.4702","0.0005","17.3444","0.0007","90","","103.187","0.003","90","","2141.73","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline- κ^2^N,N')cadmium]","","- C48 H32 Br4 Cd2 N4 -","- C48 H32 Br4 Cd2 N4 -","- C96 H64 Br8 Cd4 N8 -","2","0.5","HY2601","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Di-μ-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline-κ^2^N,N')cadmium]","Acta Crystallographica Section E","2012","68","12","m1471","","10.1107/S1600536812045928","","","0.71073","MoKα","","0.0756","0.0522","","","0.1133","0.1293","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236918","7.6768","0.0007","10.7223","0.001","11.0663","0.001","92.067","0.007","102.85","0.007","101.879","0.007","865.86","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[di-μ~3~-bromido-hexa-μ~2~-bromido- dibromidobis(O-methyl pyridine-2-carboximidate-κ^2^N,N')pentamercury(II)]","","- C14 H16 Br10 Hg5 N4 O2 -","- C14 H16 Br10 Hg5 N4 O2 -","- C14 H16 Br10 Hg5 N4 O2 -","1","0.5","HY2602","Shirvan, Sadif A.; Hossaini Sadr, Moayad","catena-Poly[di-μ~3~-bromido-hexa-μ~2~-bromido-dibromidobis(O-methyl pyridine-2-carboximidate-κ^2^N,N')pentamercury(II)]","Acta Crystallographica Section E","2012","68","12","m1492","","10.1107/S1600536812046545","","","0.71073","MoKα","","0.108","0.0617","","","0.1329","0.1483","","","","","","0.932","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236919","38.6774","0.0005","38.6774","0.0005","12.3956","0.0002","90","","90","","120","","16058.8","0.4","180","0.1","180","0.1","","","","","","","","7","R 3 :H","R 3","146","","Tris(thiocyanato-κN)tris(triphenylphosphine oxide-κO)terbium(III)","","- C57 H45 N3 O3 P3 S3 Tb -","- C57 H45 N3 O3 P3 S3 Tb -","- C684 H540 N36 O36 P36 S36 Tb12 -","12","1.33333","HY2605","Pham, Lam N.; Thames, Anthony T.; White, Frankie D.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κN)tris(triphenylphosphine oxide-κO)terbium(III)","Acta Crystallographica Section E","2012","68","12","m1531","","10.1107/S1600536812047289","","","0.71073","MoKα","","0.0338","0.0258","","","0.0517","0.0556","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236920","8.9111","0.0003","7.2255","0.0003","10.6194","0.0004","90","","108.994","0.002","90","","646.52","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Diammine{N-[2-(hydroxyimino)propionyl]-N'-[2- (oxidoimino)propionyl]propane-1,3-diaminido- κ^4^N,N',N'',N'''}iron(III)","","- C9 H19 Fe N6 O4 -","- C9 H19 Fe N6 O4 -","- C18 H38 Fe2 N12 O8 -","2","0.5","HY2607","Tomyn, Stefania; Haukka, Matti; Nedelkov, Ruslan","Diammine{N-[2-(hydroxyimino)propionyl]-N'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ^4^N,N',N'',N'''}iron(III)","Acta Crystallographica Section E","2012","68","12","m1568","m1569","10.1107/S160053681204826X","","","0.71073","MoKα","","0.039","0.0299","","","0.0708","0.0741","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236921","13.752","0.003","11.978","0.002","15.554","0.004","90","","101.043","0.017","90","","2514.6","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{bis[2-(diisopropylphosphanyl)phenyl]phosphanido- κ^3^P,P',P''}chloridonickel(II)","","- C24 H36 Cl Ni P3 -","- C24 H36 Cl Ni P3 -","- C96 H144 Cl4 Ni4 P12 -","4","1","IM2406","Tedesco, Consiglia; Lamberti, Marina; Mazzeo, Mina","Bis{bis[2-(diisopropylphosphanyl)phenyl]phosphanido-κ^3^P,P',P''}chloridonickel(II)","Acta Crystallographica Section E","2012","68","12","m1459","","10.1107/S1600536812044947","","","0.71073","MoKα","","0.061","0.0409","","","0.0985","0.1081","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236922","5.2809","0.0002","24.5131","0.001","18.3517","0.0007","90","","99.643","0.001","90","","2342.08","0.16","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)quinoline-3-carboxylate","","- C24 H18 Br F3 N4 O4 -","- C24 H18 Br F3 N4 O4 -","- C96 H72 Br4 F12 N16 O16 -","4","1","IM2409","Islor, Arun M.; Garudachari, B.; Shivananda, K. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)quinoline-3-carboxylate","Acta Crystallographica Section E","2012","68","12","o3387","o3388","10.1107/S1600536812046417","","","0.71073","MoKα","","0.0866","0.0514","","","0.1198","0.1413","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236923","9.86","0.002","9.975","0.002","13.691","0.003","90","","94.023","0.003","90","","1343.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]","","- C20 H28 Mo2 N2 O14 -","- C20 H28 Mo2 N2 O14 -","- C40 H56 Mo4 N4 O28 -","2","0.5","IM2410","Oba, Ayaka; Hashimoto, Masato","Bis(trimethylphenylammonium) μ-oxalato-bis[oxidodiperoxidomolybdate(VI)]","Acta Crystallographica Section E","2012","68","12","m1467","","10.1107/S1600536812045850","","","0.71069","MoKα","","0.0303","0.0286","","","0.0779","0.0795","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236924","9.2614","0.0005","12.8215","0.0008","14.3966","0.0011","90","","90","","90","","1709.52","0.19","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-Dibromo-10-bromomethyl-3,7,7- trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H23 Br3 -","- C16 H23 Br3 -","- C64 H92 Br12 -","4","1","IM2411","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Daran, Jean-Claude; Berraho, Moha","(1S,3R,8R)-2,2-Dibromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","12","o3394","o3395","10.1107/S1600536812046430","","","0.71073","MoKα","","0.0407","0.0337","","","0.0726","0.0751","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236925","14.1467","0.0008","14.3235","0.0009","15.2179","0.0009","70.653","0.003","78.776","0.003","71.573","0.003","2746.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene- 32,33,34,35-tetraol","","- C62 H76 O5 -","- C62 H76 O5 -","- C124 H152 O10 -","2","1","IS5208","Gargiulli, Claudia; Gattuso, Giuseppe; Notti, Anna; Nicoló, Francesco; Pappalardo, Andrea","31-Benzyloxy-5,11,17,23,29-penta-tert-butylcalix[5]arene-32,33,34,35-tetraol","Acta Crystallographica Section E","2012","68","12","o3423","","10.1107/S1600536812047435","","","0.71073","MoKα","","0.1117","0.0521","","","0.1396","0.1608","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236926","13.1813","0.0007","4.5837","0.0003","20.4448","0.0011","90","","92.441","0.003","90","","1234.14","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-[4-Chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine","","- C13 H8 Cl F4 N -","- C13 H8 Cl F4 N -","- C52 H32 Cl4 F16 N4 -","4","1","IS5209","Sreenivasa, S.; Manojkumar, K. E.; Suchetan, P. A.; Mohan, N. R.; Palakshamurthy, B. S.; Srinivasan, T.; Velmurgan, D.","6-[4-Chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine","Acta Crystallographica Section E","2012","68","12","o3370","","10.1107/S1600536812046211","","","0.71073","MoKα","","0.0641","0.0424","","","","0.1294","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236927","8.4308","0.0005","10.5025","0.0006","12.3059","0.0006","98.53","0.002","107.95","0.002","97.966","0.003","1005.26","0.1","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-cyano-5-oxo-5-(thiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)pentanoate","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C42 H46 N2 O12 S2 -","2","1","IS5211","Prabhuswamy, M.; Madan Kumar, S.; Raghavendra, K. R.; Abdoh, M. M. M.; Shashikanth, S.; Lokanath, N. K.","Ethyl 2-cyano-5-oxo-5-(thiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)pentanoate","Acta Crystallographica Section E","2012","68","12","o3275","","10.1107/S1600536812044522","","","0.71073","MoKα","","0.0377","0.0323","","","0.0763","0.0797","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236928","5.4199","0.0002","9.0785","0.0003","12.3555","0.0004","85.758","0.002","80.455","0.002","81.829","0.002","592.65","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(2-Hydroxypropan-2-yl)-6-(prop-2-ynyloxy)-1-benzofuran-3(2H)-one","","- C14 H14 O4 -","- C14 H14 O4 -","- C28 H28 O8 -","2","1","IS5212","Kinfe, Henok H.; Belay, Yonas H.; Phasha, Zanele H.","2-(2-Hydroxypropan-2-yl)-6-(prop-2-ynyloxy)-1-benzofuran-3(2H)-one","Acta Crystallographica Section E","2012","68","12","o3379","","10.1107/S1600536812045606","","","1.54178","CuKα","","0.0335","0.0321","","","","0.0822","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236929","5.0094","0.0002","8.5459","0.0004","10.8736","0.0005","82.337","0.001","88.952","0.001","86.904","0.001","460.64","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4-Chloro-6-methoxypyrimidin-2-amine‒succinic acid (2/1)","","- C14 H18 Cl2 N6 O6 -","- C14 H18 Cl2 N6 O6 -","- C14 H18 Cl2 N6 O6 -","1","0.5","IS5213","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","4-Chloro-6-methoxypyrimidin-2-amine‒succinic acid (2/1)","Acta Crystallographica Section E","2012","68","12","o3343","","10.1107/S1600536812046156","","","0.71073","MoKα","","0.0251","0.0241","","","0.0676","0.0692","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236930","3.7683","0.0002","16.4455","0.0002","10.7867","0.0002","90","","94.55","0.001","90","","666.36","0.04","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-6-methoxypyrimidin-2-amine","","- C5 H6 Cl N3 O -","- C5 H6 Cl N3 O -","- C20 H24 Cl4 N12 O4 -","4","1","IS5214","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","4-Chloro-6-methoxypyrimidin-2-amine","Acta Crystallographica Section E","2012","68","12","o3318","","10.1107/S160053681204528X","","","0.71073","MoKα","","0.0286","0.0265","","","0.0689","0.0702","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236931","12.4338","0.0012","7.7462","0.0007","19.4626","0.0014","90","","128.806","0.004","90","","1460.8","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Diaminopyridinium 4-methoxyquinoline-2-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","IS5215","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,3-Diaminopyridinium 4-methoxyquinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","12","o3444","o3445","10.1107/S1600536812047642","","","0.71073","MoKα","","0.0622","0.0468","","","0.1195","0.1309","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236932","6.9923","0.0005","10.2887","0.0008","10.7578","0.0008","77.419","0.002","83.381","0.002","89.209","0.002","750.27","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine‒4-hydroxybenzoic acid (1/1)","","- C14 H16 N2 O5 S -","- C14 H16 N2 O5 S -","- C28 H32 N4 O10 S2 -","2","1","IS5216","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul; Balasubramani, Kasthuri","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2012","68","12","o3415","o3416","10.1107/S1600536812046338","","","0.71073","MoKα","","0.0349","0.0318","","","0.0882","0.0934","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236933","8.267","0.003","11.271","0.004","12.788","0.004","76.53","0.05","78.95","0.05","81.42","0.05","1130.4","0.7","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","5-[(3,5-Dichloroanilino)methyl]-N-(3,5-dichlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","","- C24 H18 Cl4 N4 -","- C24 H18 Cl4 N4 -","- C48 H36 Cl8 N8 -","2","1","IS5217","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","5-[(3,5-Dichloroanilino)methyl]-N-(3,5-dichlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","12","o3412","","10.1107/S160053681204665X","","","0.71073","MoKα","","0.0807","0.0441","","","0.0934","0.0996","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236934","8.7817","0.0017","5.7032","0.0012","24.026","0.004","90","","95.493","0.004","90","","1197.8","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidine‒benzoic acid (1/1)","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","IS5218","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,6-Diamino-4-chloropyrimidine‒benzoic acid (1/1)","Acta Crystallographica Section E","2012","68","12","o3442","o3443","10.1107/S160053681204768X","","","0.71073","MoKα","","0.0395","0.0362","","","0.098","0.1009","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236935","6.6962","0.0005","4.9388","0.0004","13.3593","0.0012","90","","92.361","0.008","90","","441.43","0.06","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-Nitrophenyl)acetohydrazide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C16 H18 N6 O6 -","2","1","IS5219","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","2-(2-Nitrophenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3436","","10.1107/S1600536812047381","","","1.54184","CuKα","","0.041","0.0377","","","0.0916","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236936","11.32","0.0003","7.4068","0.0003","20.7937","0.0008","90","","96.787","0.002","90","","1731.23","0.11","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[3-(4-Methylpiperidin-1-yl)propanamido]benzenesulfonamide monohydrate","","- C15 H25 N3 O4 S -","- C15 H25 N3 O4 S -","- C60 H100 N12 O16 S4 -","4","1","IS5222","Türkmen, Hasan; Yalçın, Şerife Pınar; Durgun, Mustafa; Akkurt, Mehmet","4-[3-(4-Methylpiperidin-1-yl)propanamido]benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","12","o3481","","10.1107/S1600536812048477","","","0.71073","MoKα","","0.1183","0.0728","","","0.1555","0.1777","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236937","14.3909","0.0013","5.667","0.0004","15.5471","0.0014","90","","109.023","0.002","90","","1198.67","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Bipyridine-1,1'-diium; bis(1,3-benzothiazole-2-thiolate)","","- C24 H18 N4 S4 -","- C24 H18 N4 S4 -","- C48 H36 N8 S8 -","2","0.5","JJ2151","Jiang, Yu-Han; Qiu, Qi-Ming; Liu, Min; Jin, Qiong-Hua; Zhang, Cun-Lin","4,4'-Bipyridine-1,1'-diium bis(1,3-benzothiazole-2-thiolate)","Acta Crystallographica Section E","2012","68","12","o3450","","10.1107/S1600536812047058","","","0.71073","MoKα","","0.1352","0.0597","","","0.1478","0.2028","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236938","7.5173","0.0003","8.1495","0.0003","34.166","0.0011","90","","90","","90","","2093.09","0.13","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-Nebiviololinium chloride hemihydrate","(S,S,S,S)-bis[2-(6-fluoro-3,4- dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride hemihydrate","","- C22 H27 Cl F2 N O4.5 -","- C22 H27 Cl F2 N O4.5 -","- C88 H108 Cl4 F8 N4 O18 -","4","1","JJ2154","Rousselin, Yoann; Bruel, Amelie; Clavel, Alexandre","(S,S,S,S)-Nebivolol hydrochloride hemihydrate","Acta Crystallographica Section E","2012","68","12","o3352","","10.1107/S1600536812045813","","","0.71073","MoKα","","0.0865","0.0719","","","0.1286","0.137","","","","","","1.272","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236939","18.094","0.002","9.4557","0.0014","7.4187","0.001","90","","111.953","0.003","90","","1177.2","0.3","223","","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-diiodophenanthrene","","- C14 H8 I2 -","- C14 H8 I2 -","- C56 H32 I8 -","4","0.5","JJ2155","Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi","9,10-Diiodophenanthrene","Acta Crystallographica Section E","2012","68","12","o3323","","10.1107/S1600536812045758","","","0.71073","MoKα","","0.0467","0.0328","","","0.0664","0.083","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236940","14.09072","0.00013","15.048","0.00015","10.39178","0.00012","90","","90","","90","","2203.44","0.04","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3,6,6-Tetramethyl-9-(1-methyl-1H-indol-2-yl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","JJ2157","Öztürk Yildirim, Sema; Butcher, Ray J.; El-Khouly, Ahmed; Safak, Cihat; Şimsek, Rahime","3,3,6,6-Tetramethyl-9-(1-methyl-1H-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2012","68","12","o3365","o3366","10.1107/S1600536812045722","","","1.54178","CuKα","","0.0363","0.0361","","","0.0959","0.0963","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236941","11.816","0.003","7.228","0.002","13.017","0.004","90","","104.25","0.005","90","","1077.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aRS,7aSR)-7a-Methoxy-2-oxo-2,3,3a,4,5,6,7,7a-octahydro- 1-benzofuran-4,4-dicarbonitrile","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","JJ2158","González, María; Martínez, Andrea; Rivadulla, Marcos L.; Covelo, Berta","(3aRS,7aSR)-7a-Methoxy-2-oxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4,4-dicarbonitrile","Acta Crystallographica Section E","2012","68","12","o3496","","10.1107/S1600536812048519","","","0.71073","MoKα","","0.0809","0.0477","","","0.1174","0.1426","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236942","5.0018","0.0017","10.984","0.004","14.407","0.006","74","0.012","89.952","0.012","89.877","0.011","760.9","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(E)-3-chloro-N'-hydroxybenzamidine","(E)-3-chloro-N'-hydroxybenzamidine","","- C7 H7 Cl N2 O -","- C7 H7 Cl N2 O -","- C28 H28 Cl4 N8 O4 -","4","2","JJ2159","Sreenivasa, S.; ManojKumar, K. E.; Suchetan, P. A.; Mohan, N. R; Palakshamurthy, B. S.","(E)-3-Chloro-N'-hydroxybenzene-1-carboximidamide","Acta Crystallographica Section E","2012","68","12","o3402","","10.1107/S1600536812046612","","","0.71073","MoKα","","0.0443","0.0367","","","0.1038","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236943","6.9648","0.0002","11.3616","0.0003","14.7219","0.0004","95.983","0.001","92.601","0.001","105.676","0.001","1112.23","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(2E)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","","- C28 H19 Br F2 O2 -","- C28 H19 Br F2 O2 -","- C56 H38 Br2 F4 O4 -","2","1","KJ2214","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","(2E)-3-(4-Bromophenyl)-1-(4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3433","o3434","10.1107/S1600536812046831","","","0.71073","MoKα","","0.0561","0.0353","","","0.0818","0.0886","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236944","11.832","0.0006","7.2407","0.0004","13.3755","0.0009","90","","105.292","0.003","90","","1105.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidine-1-carboxamidinium ethyl carbonate","","- C9 H19 N3 O3 -","- C9 H19 N3 O3 -","- C36 H76 N12 O12 -","4","1","KP2439","Tiritiris, Ioannis","Piperidine-1-carboxamidinium ethyl carbonate","Acta Crystallographica Section E","2012","68","12","o3310","","10.1107/S1600536812045497","","","0.71073","MoKα","","0.0647","0.0418","","","0.0939","0.1058","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236945","7.1444","0.0008","9.0428","0.0007","18.115","0.002","90","","93.156","0.01","90","","1168.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxybenzamidinium hydrogen oxalate monohydrate","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","KP2440","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium hydrogen oxalate monohydrate","Acta Crystallographica Section E","2012","68","12","o3350","o3351","10.1107/S1600536812046351","","","0.71069","MoKα","","0.0649","0.0474","","","0.1026","0.11","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236946","10.2163","0.0005","20.8874","0.0009","10.4616","0.0005","90","","109.505","0.002","90","","2104.31","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Morpholine-4-carboxamidinium ethyl carbonate","","- C8 H17 N3 O4 -","- C8 H17 N3 O4 -","- C64 H136 N24 O32 -","8","2","KP2441","Tiritiris, Ioannis","Morpholine-4-carboxamidinium ethyl carbonate","Acta Crystallographica Section E","2012","68","12","o3431","","10.1107/S1600536812046922","","","0.71073","MoKα","","0.1161","0.05","","","0.0941","0.1123","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236947","25.469","0.016","6.365","0.004","18.306","0.011","90","","91.815","0.012","90","","2966","3","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(Adamantan-1-yl)aminomethyl]-4-chlorophenol hemihydrate","","- C17 H23 Cl N O1.5 -","- C17 H23 Cl N O1.5 -","- C136 H184 Cl8 N8 O12 -","8","1","LD2073","Jin, Xu-Dong; Yin, Xue-Yue; Xu, Lu-Sha; Ge, Chun-Hua; Chang, Xiao-Hong","2-[(Adamantan-1-yl)aminomethyl]-4-chlorophenol hemihydrate","Acta Crystallographica Section E","2012","68","12","o3296","","10.1107/S1600536812045175","","","0.71073","MoKα","","0.0987","0.0686","","","0.1879","0.2162","","","","","","1.076","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236948","7.6493","0.0004","15.1553","0.0007","19.4802","0.0008","90","","90.392","0.001","90","","2258.24","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2RS,5'RS)-3',4'-Bis(4-chlorophenyl)-3,4- dihydrospiro[acridine-2,5'(4'H)-[1,2]oxazol]-1(2H)-one","","- C27 H18 Cl2 N2 O2 -","- C27 H18 Cl2 N2 O2 -","- C108 H72 Cl8 N8 O8 -","4","1","LD2076","Narayanan, Ponmudisettu; Maheswari, Shanmugavel Uma; Sethusankar, Krishnan","(2RS,5'RS)-3',4'-Bis(4-chlorophenyl)-3,4-dihydrospiro[acridine-2,5'(4'H)-[1,2]oxazol]-1(2H)-one","Acta Crystallographica Section E","2012","68","12","o3289","","10.1107/S1600536812045084","","","0.71073","MoKα","","0.0769","0.0509","","","0.1284","0.1426","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236949","13.657","0.001","14.361","0.002","7.0829","0.0009","90","","100.75","0.01","90","","1364.8","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(2-Amino-5-chlorophenyl)-2-bromobenzenesulfonamide","","- C12 H10 Br Cl N2 O2 S -","- C12 H10 Br Cl N2 O2 S -","- C48 H40 Br4 Cl4 N8 O8 S4 -","4","1","LD2080","Altamura, Maria; Fedi, Valentina; Nannicini, Rossano; Paoli, Paola; Rossi, Patrizia","N-(2-Amino-5-chlorophenyl)-2-bromobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3308","o3309","10.1107/S160053681204562X","","","0.71069","MoKα","","0.072","0.0379","","","0.0713","0.0818","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236950","8.0922","0.0002","8.1401","0.0002","11.4535","0.0003","92.074","0.002","94.74","0.001","111.141","0.001","699.5","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","LD2082","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3292","","10.1107/S1600536812045205","","","0.71073","MoKα","","0.0337","0.0287","","","0.0707","0.0734","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236951","5.6293","0.0002","10.1826","0.0004","13.2402","0.0005","90","","92.75","0.001","90","","758.07","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-methoxybenzamide","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","LD2083","Wilbrand, Sabine; Neis, Christian; Hegetschweiler, Kaspar","3-Hydroxy-2-methoxybenzamide","Acta Crystallographica Section E","2012","68","12","o3494","","10.1107/S1600536812047769","","","0.71073","MoKα","","0.0346","0.0302","","","0.0793","0.0828","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236952","10.1894","0.0003","14.6889","0.0004","9.2026","0.0002","90","","111.719","0.001","90","","1279.58","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Methoxy-4-methyl-6-phenyltetrahydropyrimidine-2(1H)-thione","4-Methoxy-4-methyl-6-phenyl-1,3-diazinane-2-thione","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C48 H64 N8 O4 S4 -","4","1","LH5545","Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; Hosten, Eric; Betz, Richard","4-Methoxy-4-methyl-6-phenyl-1,3-diazinane-2-thione","Acta Crystallographica Section E","2012","68","12","o3271","","10.1107/S1600536812044662","","","0.71073","MoKα","","0.0351","0.0315","","","0.0857","0.0893","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236953","5.6962","0.0002","21.053","0.0007","8.7901","0.0003","90","","95.559","0.003","90","","1049.17","0.06","122.9","0.2","122.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(2-Furoyl)-N'-(2-pyrimidyl)thiourea","3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea","","- C10 H8 N4 O2 S -","- C10 H8 N4 O2 S -","- C40 H32 N16 O8 S4 -","4","1","LH5548","Singh, Durga P.; Pratap, Seema; Gupta, Sushil K.; Butcher, Ray J.","3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2012","68","12","o3300","o3301","10.1107/S1600536812044029","","","1.54178","CuKα","","0.0389","0.038","","","0.1065","0.1075","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236954","18.725","0.004","4.6256","0.001","11.319","0.002","90","","90","","90","","980.4","0.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-5-methylpyridinium trifluoroacetate","","- C8 H9 F3 N2 O2 -","- C8 H9 F3 N2 O2 -","- C32 H36 F12 N8 O8 -","4","1","LH5549","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium trifluoroacetate","Acta Crystallographica Section E","2012","68","12","o3319","o3320","10.1107/S1600536812045291","","","0.71073","MoKα","","0.0601","0.046","","","0.1048","0.114","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236955","10.4684","0.0012","12.9898","0.0014","14.8354","0.0016","71.091","0.002","80.955","0.003","72.261","0.002","1813.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","(1-Acetylthiourea-κS)bromidobis(triphenylphosphane-κP)silver(I)","","- C39 H36 Ag Br N2 O P2 S -","- C39 H36 Ag Br N2 O P2 S -","- C78 H72 Ag2 Br2 N4 O2 P4 S2 -","2","1","LH5550","Pakawatchai, Chaveng; Jantaramas, Piyapong; Mokhagul, Jedsada; Nimthong, Ruthairat","(1-Acetylthiourea-κS)bromidobis(triphenylphosphane-κP)silver(I)","Acta Crystallographica Section E","2012","68","12","m1506","m1507","10.1107/S1600536812045199","","","0.71073","MoKα","","0.0693","0.0482","","","0.0913","0.0987","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236956","7.363","0.003","8.741","0.006","11.492","0.006","77.84","0.03","73.78","0.03","83.18","0.03","692.8","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","[(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^N:C-[bis(cyanido-κC)copper(I)]","","- C9 H18 Cu2 N7 -","- C9 H18 Cu2 N7 -","- C18 H36 Cu4 N14 -","2","1","LH5552","Corfield, Peter W. R.; Grillo, Scott A.; Umstott, Nancy S.","[(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^N:C-[bis(cyanido-κC)copper(I)]","Acta Crystallographica Section E","2012","68","12","m1532","m1533","10.1107/S1600536812047745","","","1.5418","CuKα","","0.0402","0.0386","","","0.1155","0.1201","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236957","8.5911","0.0018","23.376","0.0015","7.5816","0.0012","90","","114.775","0.003","90","","1382.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-5-methylindolizine- 3-carbonitrile","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","LH5554","Gu, Wei-Jin; Xie, Wen-Li; Wang, Ting-Ting","1-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbonyl]-5-methylindolizine-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3399","","10.1107/S1600536812046727","","","0.71073","MoKα","","0.0682","0.0475","","","0.1235","0.1352","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236958","30.179","0.003","3.9127","0.0003","13.7363","0.0012","90","","90","","90","","1622","0.2","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(E)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","LH5555","Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo","(E)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3403","","10.1107/S1600536812046715","","","0.71073","MoKα","","0.1055","0.0439","","","0.0723","0.1021","","","","","","0.936","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236959","29.854","0.004","5.3535","0.0007","17.353","0.002","90","","118.686","0.002","90","","2433","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquabis[N-(pyridin-3-yl)isonicotinamide- κN^1^]copper(II)]-μ-fumarato-κ^2^O^1^:O^4^]","","- C26 H22 Cu N6 O7 -","- C26 H22 Cu N6 O7 -","- C104 H88 Cu4 N24 O28 -","4","0.5","LH5556","Qiblawi, Sultan H.; LaDuca, Robert L.","catena-Poly[[aquabis[N-(pyridin-3-yl)isonicotinamide-κN^1^]copper(II)]-μ-fumarato-κ^2^O^1^:O^4^]","Acta Crystallographica Section E","2012","68","12","m1514","","10.1107/S1600536812047101","","","0.71073","MoKα","","0.0515","0.0362","","","0.0762","0.083","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236960","9.1574","0.0008","10.1976","0.0006","12.1736","0.0008","91.847","0.005","108.327","0.008","100.285","0.006","1057.05","0.14","292.5","0.4","292.5","0.4","","","","","","","","5","P -1","-P 1","2","","N-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C44 H32 Cl4 N4 O10 -","2","1","LH5558","Fan, Lin-Lan; Wang, Hui; Ma, Jing; Shi, Xiu-Xiao","N-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate","Acta Crystallographica Section E","2012","68","12","o3498","","10.1107/S1600536812048726","","","0.7107","MoKα","","0.0762","0.0545","","","","0.1394","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236961","6.894","0.0006","13.2079","0.0011","20.0964","0.0016","90","","90","","90","","1829.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-Methoxy-2H-chromene-3-carbaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","LH5559","Koh, Dongsoo","8-Methoxy-2H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3419","","10.1107/S1600536812047319","","","0.71073","MoKα","","0.0994","0.051","","","0.1208","0.1578","","","","","","0.922","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236962","9.197","0.003","14.564","0.005","18.675","0.005","90","","107.061","0.014","90","","2391.3","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(naphthalen-1-yl)phosphane chloroform hemisolvate","","- C30.5 H21.5 Cl1.5 P -","- C30.5 H21.5 Cl1.5 P -","- C122 H86 Cl6 P4 -","4","1","LH5561","Davis, Wade L.; Muller, Alfred","Tris(naphthalen-1-yl)phosphane chloroform hemisolvate","Acta Crystallographica Section E","2012","68","12","o3484","","10.1107/S1600536812048234","","","0.71073","MoKα","","0.1157","0.0664","","","0.1617","0.1935","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236963","7.5818","0.0003","8.3714","0.0002","21.0625","0.001","90","","90","","90","","1336.84","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-trinitrophenyl benzoate","2,4,6-Trinitrophenyl benzoate","","- C13 H7 N3 O8 -","- C13 H7 N3 O8 -","- C52 H28 N12 O32 -","4","1","LH5562","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.; Morrison, Catriona A.; De Almeida Santos, Regina H.","2,4,6-Trinitrophenyl benzoate","Acta Crystallographica Section E","2012","68","12","o3493","","10.1107/S1600536812048362","","","0.71073","MoKα","","0.0356","0.0318","","","0.0714","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236964","11.8797","0.0003","6.0788","0.0001","23.871","0.0005","90","","101.489","0.001","90","","1689.29","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(5,6-Diphenyl-1,2,4-triazin-3-yl)aniline","","- C21 H16 N4 -","- C21 H16 N4 -","- C84 H64 N16 -","4","1","LR2082","Mojzych, Mariusz; Karczmarzyk, Zbigniew; Fruziński, Andrzej","2-(5,6-Diphenyl-1,2,4-triazin-3-yl)aniline","Acta Crystallographica Section E","2012","68","12","o3278","","10.1107/S1600536812044194","","","1.54178","CuKα","","0.0414","0.0352","","","0.0976","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236965","19.5601","0.0007","25.0825","0.0008","24.2277","0.0009","90","","113.695","0.005","90","","10884.4","0.8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]- 1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate","","- C36 H69 Cl6 N8 O26.5 -","- C36 H68 Cl6 N8 O26.5 -","- C288 H544 Cl48 N64 O212 -","8","1","LR2084","Fusi, Vieri; Formica, Mauro; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia","2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2012","68","12","o3453","o3454","10.1107/S1600536812047484","","","1.54184","CuKα","","0.1144","0.0702","","","0.1814","0.2194","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236966","7.131","0.0002","9.6301","0.0002","7.2162","0.0002","90","","113.782","0.003","90","","453.47","0.02","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diamminedi-μ~3~-dicyanamido-copper(II)]","","- C4 H6 Cu N8 -","- C4 H6 Cu N8 -","- C8 H12 Cu2 N16 -","2","0.5","LR2087","Díaz, Jesús García; Albor, Atzimba García; Jaime, Espino Valencia; Vrábel, Viktor; Kožíšek, Jozef","Poly[diamminedi-μ~3~-dicyanamido-copper(II)]","Acta Crystallographica Section E","2012","68","12","i89","i90","10.1107/S1600536812045382","","","0.71073","MoKα","","0.0194","0.017","","","0.0493","0.0521","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236967","5.8831","0.0002","10.556","0.0002","35.0548","0.0008","90","","93.749","0.001","90","","2172.31","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro- 1H-1,2,4-triazole","","- C28 H23 N3 O -","- C28 H23 N3 O -","- C112 H92 N12 O4 -","4","1","LX2259","Maji, Biplab; Berionni, Guillaume; Mayr, Herbert; Mayer, Peter","5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1H-1,2,4-triazole","Acta Crystallographica Section E","2012","68","12","o3307","","10.1107/S1600536812045692","","","0.71073","MoKα","","0.0816","0.0449","","","0.0997","0.1162","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236968","3.8451","0.0001","20.8901","0.0004","12.2725","0.0002","90","","94.952","0.001","90","","982.1","0.04","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(E)-(Pyridin-2-ylmethylidene)amino]thiophene-3-carbonitrile","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","LX2267","Bolduc, Andréanne; Knipping, Étienne; Skene, W. G.","2-[(E)-(Pyridin-2-ylmethylidene)amino]thiophene-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3262","","10.1107/S1600536812043188","","","1.54178","CuKα","","0.0373","0.0354","","","0.1005","0.102","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236969","10.12","0.002","10.4","0.003","11.726","0.003","79.138","0.004","67.021","0.004","88.154","0.004","1114.7","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-Methyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","2","LX2269","Su, Bi-yun; Qin, Wen-Long; Jiao, Long; Wang, Jia-Xiang","2-Methyl-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section E","2012","68","12","o3326","","10.1107/S1600536812045849","","","0.71073","MoKα","","0.0842","0.0506","","","0.1294","0.1486","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236970","7.3504","0.0002","12.8524","0.0005","16.0372","0.0005","90","","90","","90","","1515.04","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Morphine hydrochloride anhydrate","(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol hydrochloride","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","LX2271","Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J.","Morphine hydrochloride anhydrate","Acta Crystallographica Section E","2012","68","12","o3358","o3359","10.1107/S1600536812046405","","","0.7107","MoKα","","0.0298","0.0273","","","0.0674","0.0687","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236971","6.0893","0.0002","30.7616","0.0008","11.0983","0.0003","90","","98.982","0.003","90","","2053.4","0.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,1'-Bis[(di(4-tert-butylphenyl)methyl)cyclopentadienyl]iron","1,1'-Bis[bis(4-tert-butylphenyl)methyl]ferrocene","","- C52 H62 Fe -","- C52 H62 Fe -","- C104 H124 Fe2 -","2","0.5","MW2088","Bauer, Heiko; Sun, Yu; Sitzmann, Helmut","1,1'-Bis[bis(4-tert-butylphenyl)methyl]ferrocene","Acta Crystallographica Section E","2012","68","12","m1450","","10.1107/S1600536812041360","","","1.54184","CuKα","","0.0328","0.0273","","","0.0696","0.0705","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236972","8.8516","0.0002","21.8221","0.0004","7.7228","0.0002","90","","102.949","0.001","90","","1453.8","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","12-Ethylsulfinyl-11-(3-fluorophenyl)-4,6,10- trioxatricyclo[7.3.0.0^3,7^]dodeca-1,3(7),8,11-tetraene","3-Ethylsulfinyl-2-(3-fluorophenyl)-5,6-methylenedioxy-1-benzofuran","","- C17 H13 F O4 S -","- C17 H13 F O4 S -","- C68 H52 F4 O16 S4 -","4","1","MW2094","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-Ethylsulfinyl-2-(3-fluorophenyl)-5,6-methylenedioxy-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3339","","10.1107/S1600536812044832","","","0.71073","MoKα","","0.0434","0.0378","","","0.097","0.1011","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236973","19.5845","0.0005","19.5845","0.0005","6.6307","0.0002","90","","90","","120","","2202.5","0.1","180","2","180","2","","","","","","","","4","P 63","P 6c","173","","(S)-(-)-1-Phenylethanaminium hexanoate","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C84 H138 N6 O12 -","6","1","MW2095","Wood, Mary H.; Clarke, Stuart M.","(S)-({-})-1-Phenylethanaminium hexanoate","Acta Crystallographica Section E","2012","68","12","o3335","","10.1107/S1600536812045746","","","0.71073","MoKα","","0.0509","0.0396","","","0.0826","0.0867","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236974","18.147","0.004","13.051","0.003","13.259","0.003","90","","122.43","0.03","90","","2650.5","1.4","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κ^2^O, O')nickel(II) butane-2,3-diol monosolvate","","- C28 H26 N4 Ni O6 S -","- C28 H26 N4 Ni O6 S -","- C112 H104 N16 Ni4 O24 S4 -","4","0.5","MW2096","Zhong, Kai-Long; Ni, Chao","Bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κ^2^O,O')nickel(II) butane-2,3-diol monosolvate","Acta Crystallographica Section E","2012","68","12","m1519","","10.1107/S1600536812047241","","","0.71073","MoKα","","0.0601","0.0465","","","0.1013","0.1081","","","","","","1.142","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236975","9.1977","0.0002","21.6887","0.0004","11.6072","0.0002","90","","124.629","0.001","90","","1905.29","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)prop-2-en-1-one","","- C22 H15 Cl2 F O2 -","- C22 H15 Cl2 F O2 -","- C88 H60 Cl8 F4 O8 -","4","1","NC2298","Praveen, Aletti S.; Yathirajan, Hemmige S.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","(2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","12","o3386","","10.1107/S1600536812046855","","","0.71073","MoKα","","0.0555","0.0406","","","0.0946","0.1013","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236976","12.8289","0.0004","14.3247","0.0004","14.4213","0.0004","90","","111.347","0.001","90","","2468.38","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Uyi C20","4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2- phenyl-1H-pyrazol-3(2H)-one ethanol monosolvate","","- C25 H24 N6 O6 -","- C25 H24 N6 O6 -","- C100 H96 N24 O24 -","4","1","NG5294","Idemudia, Omoruyi G.; Sadimenko, Alexander P.; Hosten, Eric C.","4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol monosolvate","Acta Crystallographica Section E","2012","68","12","o3380","","10.1107/S1600536812044935","","","0.71073","MoKα","","0.0506","0.0417","","","0.1077","0.1161","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236977","11.4175","0.0003","19.5363","0.0004","22.6086","0.0006","90","","102.683","0.002","90","","4919.9","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Di-μ-azido-bis(μ-1,4,7,10,13,16-hexaoxacyclooctadecane)bis(5,10,15,20- tetraphenylporphyrinato)dicadmiumdisodium","[(5,10,15,20-Retraphenylporphyrinato)cadmium]-μ-azido-sodium-bis(μ- 1,4,7,10,13,16-hexaoxacyclooctadecane)-sodium-μ-azido-[(5,10,15,20- tetraphenylporphyrinato)cadmium]","","- C112 H104 Cd2 N14 Na2 O12 -","- C112 H104 Cd2 N14 Na2 O12 -","- C224 H208 Cd4 N28 Na4 O24 -","2","0.5","NG5303","Toumi, Hamza; Amiri, Nesrine; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Di-μ-azido-bis(μ-1,4,7,10,13,16-hexaoxacyclooctadecane)bis(5,10,15,20-tetraphenylporphyrinato)dicadmiumdisodium","Acta Crystallographica Section E","2012","68","12","m1557","m1558","10.1107/S1600536812048052","","","0.71073","MoKα","","0.0426","0.0274","","","0.0672","0.071","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236978","4.7977","0.0003","10.9951","0.0007","14.1645","0.0008","74.829","0.005","87.758","0.005","79.327","0.005","708.64","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C32 H26 Br2 O6 -","2","1","NG5304","Khan, Imtiaz; Ibrar, Aliya; Korzański, Artur; Kubicki, Maciej","2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate","Acta Crystallographica Section E","2012","68","12","o3465","","10.1107/S1600536812046995","","","0.71073","MoKα","","0.061","0.0378","","","0.0962","0.1063","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236979","9.5585","0.0012","13.4135","0.0017","14.7553","0.0018","66.307","0.002","73.147","0.003","88.034","0.003","1650.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-Bis(benzyldiphenylphosphane-κP)dichloridoplatinum(II)","","- C38 H34 Cl2 P2 Pt -","- C38 H34 Cl2 P2 Pt -","- C76 H68 Cl4 P4 Pt2 -","2","1","NG5305","Muller, Alfred","trans-Bis(benzyldiphenylphosphane-κP)dichloridoplatinum(II)","Acta Crystallographica Section E","2012","68","12","m1512","","10.1107/S160053681204696X","","","0.71073","MoKα","","0.0198","0.0175","","","","0.0388","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236980","15.4261","0.0016","6.2618","0.0007","9.2073","0.001","90","","106.651","0.012","90","","852.09","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methylphenyl)acetohydrazide","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","NG5307","Praveen, A.S.; Jasinski, Jerry P.; Krauss, Shannon T.; Yathirajan, H. S.; Narayana, B.","2-(4-Methylphenyl)acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3467","","10.1107/S160053681204799X","","","1.54184","CuKα","","0.0601","0.0497","","","0.1414","0.1513","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236981","8.2107","0.0009","8.5812","0.0009","13.2046","0.0014","90","","90","","90","","930.37","0.17","200","","200","","","","","","","","","6","I m 2 a","I -2a -2a","46","dichloro-3-pyridylarsine hydrochloride hydrate","catena-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]","","- C5 H7 As Cl3 N O -","- C5 H7 As Cl3 N O -","- C20 H28 As4 Cl12 N4 O4 -","4","0.5","NK2180","Reck, Lukas; Schmitt, Wolfgang","catena-Poly[[[dichlorido(pyridin-1-ium-3-yl)arsenic(III)]-μ-chlorido] monohydrate]","Acta Crystallographica Section E","2012","68","12","m1437","m1438","10.1107/S1600536812042882","","","0.71073","MoKα","","0.0321","0.0318","","","0.0775","0.0777","","","","","","1.1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2236982","8.108","0.0012","9.0857","0.0014","12.9188","0.0019","90","","94.426","0.002","90","","948.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5,12-Dimethylpyrazino[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate","10,20-Dimethyl-3,10,13,20- tetraazapentacyclo[11.7.0.0^3,11^.0^4,9^.0^14,19^]icosa- 1(20),4(9),5,7,10,14,16,18-octaene-10,20-diium","","- C18 H22 Cl2 N4 O2 -","- C18 H22 Cl2 N4 O2 -","- C36 H44 Cl4 N8 O4 -","2","0.5","PK2446","Han, Jie; Zhao, Ming-gao; Zhang, Jun; Ma, Lan; Fan, Guang","5,12-Dimethylpyrazino[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate","Acta Crystallographica Section E","2012","68","12","o3398","","10.1107/S1600536812046594","","","0.71073","MoKα","","0.0457","0.0377","","","0.1063","0.1136","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236983","9.9761","0.0012","13.8292","0.0012","11.7983","0.0014","90","","113.523","0.014","90","","1492.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[sodium-μ~2~-(N,N,N',N'- tetramethylethane-1,2-diamine)-κ^2^N:N'-sodium- bis[μ~2~-bis(trimethylsilyl)azanido-κ^2^N:N]]","","- C18 H52 N4 Na2 Si4 -","- C18 H52 N4 Na2 Si4 -","- C36 H104 N8 Na4 Si8 -","2","0.5","PK2451","Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T.; Robertson, Stuart D.; Robertson, Gemma M.","catena-Poly[sodium-μ~2~-(N,N,N',N'-tetramethylethane-1,2-diamine)-κ^2^N:N'-sodium-bis[μ~2~-bis(trimethylsilyl)azanido-κ^2^N:N]]","Acta Crystallographica Section E","2012","68","12","m1468","","10.1107/S1600536812045126","","","0.71073","MoKα","","0.0265","0.0227","","","0.0663","0.0674","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236984","4.363","0.0016","8.3245","0.0007","13.541","0.005","95.647","0.002","98.46","0.02","97.77","0.002","478.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-6-nitro-1H-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","PK2452","El Brahmi, Nabil; Benchidmi, Mohammed; Essassi, El Mokhtar; Ladeira, Sonia; El Ammari, Lahcen","1-Allyl-6-nitro-1H-indazole","Acta Crystallographica Section E","2012","68","12","o3368","","10.1107/S1600536812046478","","","0.71073","MoKα","","0.0449","0.0343","","","0.0955","0.0997","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236985","14.0679","0.0002","7.7245","0.0001","26.9686","0.0003","90","","92.596","0.001","90","","2927.6","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-5-[(E)-2-methylbenzylidene]-8-(2-methylphenyl)-9-phenyl- 3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa- 1(20),12,14,16,18-pentaen-6-one","","- C40 H34 N2 O2 -","- C40 H34 N2 O2 -","- C160 H136 N8 O8 -","4","1","PK2453","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Osman, Hasnah; Suresh, J.","2-Hydroxy-5-[(E)-2-methylbenzylidene]-8-(2-methylphenyl)-9-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7^.0^2,11^.0^7,11^.0^16,20^]henicosa-1(20),12,14,16,18-pentaen-6-one","Acta Crystallographica Section E","2012","68","12","o3375","","10.1107/S160053681204648X","","","0.71073","MoKα","","0.0774","0.0535","","","0.1228","0.1367","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236986","12.3079","0.0002","12.715","0.0002","14.031","0.0003","77.785","0.001","64.242","0.001","64.738","0.001","1787.56","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate","","- C36 H42 Cl7 P -","- C36 H42 Cl7 P -","- C72 H84 Cl14 P2 -","2","1","PK2454","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate","Acta Crystallographica Section E","2012","68","12","o3373","","10.1107/S1600536812046661","","","0.71073","MoKα","","0.0382","0.0301","","","0.0757","0.0804","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236987","18.528","0.0004","7.83885","0.00015","20.2304","0.0004","90","","103.642","0.001","90","","2855.33","0.1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","{2,7-Dimethoxy-8-[4-(2-methylpropyl)benzoyl]naphthalen-1-yl}[4-(2- methylpropyl)phenyl]methanone","","- C34 H36 O4 -","- C34 H36 O4 -","- C136 H144 O16 -","4","1","PK2455","Sasagawa, Kosuke; Hijikata, Daichi; Sakamoto, Rei; Okamoto, Akiko; Yonezawa, Noriyuki","{2,7-Dimethoxy-8-[4-(2-methylpropyl)benzoyl]naphthalen-1-yl}[4-(2-methylpropyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","12","o3348","","10.1107/S1600536812045953","","","1.54187","CuKα","","0.0533","0.0424","","","0.1173","0.1261","","","","","","1.122","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236988","13.2053","0.0012","24.621","0.002","21.491","0.002","90","","101.861","0.001","90","","6838.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentakis(μ~3~-N,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato- methanolpentakis(1H-imidazole)pentamanganese(III)manganese(II)‒ methanol‒water (1/3.36/0.65)","","- C56.36 H60.76 Mn6 N15 O24.02 -","- C56.364 H60.766 Mn6 N15 O24.019 -","- C225.456 H243.064 Mn24 N60 O96.076 -","4","1","PK2457","Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.","Pentakis(μ~3~-N,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato-pentakis(1H-imidazole)methanolpentamanganese(III)manganese(II)‒methanol‒water (1/3.36/0.65)","Acta Crystallographica Section E","2012","68","12","m1521","m1522","10.1107/S1600536812047228","","","0.71073","MoKα","","0.0645","0.0493","","","0.132","0.1397","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236989","14.1479","0.0017","8.6567","0.0011","22.57","0.003","90","","90","","90","","2764.2","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-[(E)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","PV2594","Taha, Muhammad; Baharudin, M. Syukri.; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","N'-[(E)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3256","","10.1107/S1600536812042390","","","0.71073","MoKα","","0.0761","0.0424","","","0.0973","0.1147","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236990","10.2874","0.0016","14.138","0.003","18.866","0.003","90","","90","","90","","2743.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa- 2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8- carbonitrile","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C132 H116 N12 O20 -","4","1","PV2596","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3290","o3291","10.1107/S1600536812044479","","","0.71073","MoKα","","0.0753","0.0445","","","0.1028","0.1227","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236991","26.991","0.007","26.991","0.007","7.8345","0.0019","90","","90","","90","","5708","3","111","2","111","2","","","","","","","","6","I 41/a :2","-I 4ad","88","N-Tosyl-5-chloroindole","5-Chloro-1-(4-methylphenylsulfonyl)-1H-indole","","- C15 H12 Cl N O2 S -","- C15 H12 Cl N O2 S -","- C240 H192 Cl16 N16 O32 S16 -","16","1","PV2597","Hassam, Mohammad; Smith, Vincent J.","5-Chloro-1-(4-methylphenylsulfonyl)-1H-indole","Acta Crystallographica Section E","2012","68","12","o3357","","10.1107/S1600536812046466","","","0.71073","MoKα","","0.0559","0.0386","","","0.0919","0.1007","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236992","6.2019","0.0003","11.2124","0.0006","24.4724","0.0013","95.759","0.003","91.762","0.003","95.617","0.003","1683.63","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)naphtho[2,3-b][1]benzothiophene","","- C23 H16 O S -","- C23 H16 O S -","- C92 H64 O4 S4 -","4","2","PV2598","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","6-(4-Methoxyphenyl)naphtho[2,3-b][1]benzothiophene","Acta Crystallographica Section E","2012","68","12","o3408","o3409","10.1107/S1600536812047137","","","0.71073","MoKα","","0.0694","0.0458","","","0.124","0.1396","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236993","13.5539","0.0005","15.0626","0.0005","7.613","0.0002","90","","99.219","0.002","90","","1534.17","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-(4-Methoxyphenyl)anthracene","9-(4-Methoxyphenyl)anthracene","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","1","PV2599","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","9-(4-Methoxyphenyl)anthracene","Acta Crystallographica Section E","2012","68","12","o3410","","10.1107/S1600536812047149","","","0.71073","MoKα","","0.0838","0.0451","","","0.11","0.1297","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236994","9.4223","0.0003","10.5115","0.0003","14.1754","0.0005","70.235","0.002","87.309","0.003","69.065","0.002","1229.67","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4'-Methyl-1H-14',19'-dioxa-4'-azaspiro[indole-3,5'- tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'- hexaene-2,7'(3H)-dione","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C58 H56 N4 O8 -","2","1","PV2600","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4'-Methyl-1H-14',19'-dioxa-4'-azaspiro[indole-3,5'-tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'-hexaene-2,7'(3H)-dione","Acta Crystallographica Section E","2012","68","12","o3344","","10.1107/S1600536812046132","","","0.71073","MoKα","","0.0723","0.0485","","","0.1282","0.1471","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236995","15.8127","0.0012","20.6405","0.0016","18.5036","0.0014","90","","114.369","0.001","90","","5501.2","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","di-μ-acetato-1:2κ^2^O:O';2:3κ^2^O:O'-bis{μ- 6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(methanylylidene)]diphenolato- 1:2κ^6^O^1^,N,N',O^1'^:O^6^,^O6'^; 2:3κ^6^O^6^,O^6'^:O^1^,N,N',O^1'^- 2-gadolinium(III)-1,3-dizinc hexafluoridophosphate methanol monosolvate monohydrate","","- C49 H60 F6 Gd N4 O14 P Zn2 -","- C49 H60 F6 Gd N4 O14 P Zn2 -","- C196 H240 F24 Gd4 N16 O56 P4 Zn8 -","4","1","PV2601","Tian, Yong-Mei; Li, Hong-Feng; Han, Bing-Lu; Zhang, Qian; Sun, Wen-Bin","A salen-type trinuclear Zn~2~Gd complex","Acta Crystallographica Section E","2012","68","12","m1500","m1501","10.1107/S160053681204634X","","","0.71073","MoKα","","0.133","0.0534","","","0.125","0.157","","","","","","0.983","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236996","11.248","0.002","16.609","0.003","14.037","0.003","90","","92.965","0.006","90","","2618.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-Methyl-14',19'-dioxa-4'-azaspiro[acenaphthylene-1,5'- tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'- hexaene-2,7'(1H)-dione","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","PV2602","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","4'-Methyl-14',19'-dioxa-4'-azaspiro[acenaphthylene-1,5'-tetracyclo[18.4.0.0^2,6^.0^8,13^]tetracosane]-1'(24'),8',10',12',20',22'-hexaene-2,7'(1H)-dione","Acta Crystallographica Section E","2012","68","12","o3345","","10.1107/S1600536812046144","","","0.71073","MoKα","","0.0781","0.0448","","","0.1082","0.1278","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236997","9.4418","0.0003","10.0132","0.0003","12.8861","0.0004","67.465","0.002","88.237","0.002","62.842","0.001","985.68","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl (3R,3'S)-1',1''-dimethyl-2,2''-dioxodispiro[indoline- 3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C44 H42 N6 O8 -","2","1","PV2603","Ganesh, G.; Yuvaraj, Panneer Selvam; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A.","A triclinic polymorph of methyl (3R,3'S)-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2012","68","12","o3468","o3469","10.1107/S160053681204706X","","","0.71073","MoKα","","0.0762","0.0509","","","0.1418","0.1577","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236998","9.6545","0.0011","20.363","0.002","31.804","0.003","90","","90","","90","","6252.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]- 11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa- 1(20),13,15,17(21),18-pentaene-9-carboxylate","","- C37 H34 N2 O7 -","- C37 H34 N2 O7 -","- C296 H272 N16 O56 -","8","1","PV2604","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]-11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa-1(20),13,15,17(21),18-pentaene-9-carboxylate","Acta Crystallographica Section E","2012","68","12","o3329","o3330","10.1107/S1600536812045795","","","0.71073","MoKα","","0.0971","0.0468","","","0.1038","0.1265","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236999","18.0381","0.0007","5.5673","0.0002","17.491","0.0007","90","","91.606","0.003","90","","1755.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Morpholine‒4-nitrophenol (1/2)","","- C16 H19 N3 O7 -","- C16 H19 N3 O7 -","- C64 H76 N12 O28 -","4","1","PV2605","Muralidharan, Srinivasan; Vidyalakshmi, Yechuri; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","Morpholine‒4-nitrophenol (1/2)","Acta Crystallographica Section E","2012","68","12","o3411","","10.1107/S1600536812047174","","","0.71073","MoKα","","0.0746","0.0515","","","0.1346","0.1511","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237000","14.815","0.0015","4.5707","0.0004","14.9123","0.0014","90","","96.642","0.001","90","","1003.01","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol","","- C10 H8 Cl N O Se -","- C10 H8 Cl N O Se -","- C40 H32 Cl4 N4 O4 Se4 -","4","1","QK2047","Cui, Jichun; Li, Chuan; Qiao, Yanling","[2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol","Acta Crystallographica Section E","2012","68","12","o3458","","10.1107/S1600536812048088","","","0.71073","MoKα","","0.0587","0.041","","","0.0954","0.104","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237001","11.2116","0.0013","10.5256","0.0012","18.171","0.007","90","","106.185","0.002","90","","2059.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","","- C22 H26 Cu N2 O5 -","- C22 H26 Cu N2 O5 -","- C88 H104 Cu4 N8 O20 -","4","1","QM2087","Hu, Chunmei; Zhao, Shunsheng; Lü, Xingqiang; Lu, Rong","{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate","Acta Crystallographica Section E","2012","68","12","m1458","","10.1107/S1600536812044625","","","0.71073","MoKα","","0.0685","0.0496","","","0.0972","0.1052","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237002","7.7053","0.0015","11.432","0.002","11.916","0.002","90","","92.16","0.03","90","","1048.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[hexaaquabis(μ~3~-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]","","- C6 H10 Ca N2 O8 -","- C6 H10 Ca N2 O8 -","- C24 H40 Ca4 N8 O32 -","4","1","QM2088","Starosta, Wojciech; Leciejewicz, Janusz","Poly[[hexaaquabis(μ~3~-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]","Acta Crystallographica Section E","2012","68","12","m1478","m1479","10.1107/S160053681204617X","","","0.71073","MoKα","","0.1149","0.0334","","","0.0889","0.1073","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237003","20.3249","0.0007","20.3249","0.0007","22.3186","0.0006","90","","90","","120","","7984.6","0.4","180","2","180","2","","","","","","","","7","R 3","R 3","146","","Tris(thiocyanato-κN)tris(triphenylphosphine oxide-κO)europium(III)‒ (nitrato-κ^2^O,O')bis(thiocyanato- κN)tris(triphenylphosphine oxide-κO)europium(III) (1/1)","","- C113 H90 Eu2 N6 O9 P6 S5 -","- C113.001 H90 Eu2 N6 O8.997 P6 S5.001 -","- C339.003 H270 Eu6 N18 O26.991 P18 S15.003 -","3","","QM2089","Thames, Anthony T.; White, Frankie D.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E.","Tris(thiocyanato-κN)tris(triphenylphosphine oxide-κO)europium(III)‒(nitrato-κ^2^O,O')bis(thiocyanato-κN)tris(triphenylphosphine oxide-κO)europium(III) (1/1)","Acta Crystallographica Section E","2012","68","12","m1530","","10.1107/S1600536812047472","","","0.71073","MoKα","","0.0519","0.0424","","","0.0595","0.0653","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237004","9.138","0.0006","6.4257","0.0005","33.884","0.002","90","","95.004","0.004","90","","1982","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-(4-methylstyryl)pyridinium 4-methylbenzenesulfonate","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","RK2384","Krishnakumar, M.; Sudhahar, S.; Silambarasan, A.; Chakkaravarthi, G.; Mohankumar, R.","1-Methyl-4-(4-methylstyryl)pyridinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2012","68","12","o3268","","10.1107/S1600536812044509","","","0.71073","MoKα","","0.0919","0.0754","","","0.1753","0.1838","","","","","","1.133","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237005","12.653","0.002","18.542","0.003","18.296","0.003","90","","108.794","0.003","90","","4063.6","1.1","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[μ-N-(tert-butyldimethylsilyl)quinolin-8-aminato- 1:2κ^2^N^1^,N^8^:N^8^](N,N,N', N'-tetramethylethane-1,2-diamine-1κ^2^N,N')lithiumsodium","","- C36 H58 Li N6 Na Si2 -","- C36 H58 Li N6 Na Si2 -","- C144 H232 Li4 N24 Na4 Si8 -","4","0.5","RK2385","Chen, Juan; Yuan, Li","Bis[μ-N-(tert-butyldimethylsilyl)quinolin-8-aminato-1:2κ^2^N^1^,N^8^:N^8^](N,N,N',N'-tetramethylethane-1,2-diamine-1κ^2^N,N')lithiumsodium","Acta Crystallographica Section E","2012","68","12","m1474","","10.1107/S160053681204576X","","","0.71073","MoKα","","0.1119","0.0621","","","0.1734","0.1953","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237006","17.4056","0.0006","12.1843","0.0003","14.9389","0.0005","90","","110.632","0.004","90","","2964.97","0.18","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","rac-{[2-(Diphenylthiophosphanyl)ferrocenyl]methyl}trimethylammonium iodide chloroform monosolvate","","- C27 H30 Cl3 Fe I N P S -","- C27 H30 Cl3 Fe I N P S -","- C108 H120 Cl12 Fe4 I4 N4 P4 S4 -","4","1","RN2109","Karpous, Andrei; Voitenko, Zoia; Daran, Jean-Claude; Manoury, Eric","rac-{[2-(Diphenylthiophosphanyl)ferrocenyl]methyl}trimethylammonium iodide chloroform monosolvate","Acta Crystallographica Section E","2012","68","12","m1490","m1491","10.1107/S1600536812046053","","","0.71073","MoKα","","0.0302","0.0247","","","0.0581","0.0617","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237007","10.5542","0.0002","14.726","0.0002","14.5377","0.0002","90","","110.106","0.001","90","","2121.77","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C21 H25 N3 O5 S -","- C21 H25 N3 O5 S -","- C84 H100 N12 O20 S4 -","4","1","RN2110","Islor, Arun M.; Vijesh, A. M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","Acta Crystallographica Section E","2012","68","12","o3302","o3303","10.1107/S1600536812045333","","","0.71073","MoKα","","0.0507","0.0396","","","0.1044","0.1112","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237008","10.2785","0.0003","10.2785","0.0003","15.2899","0.0006","90","","90","","90","","1615.34","0.09","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","RN2111","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfonyl)-5-ethyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3487","","10.1107/S1600536812048313","","","0.71073","MoKα","","0.0469","0.0342","","","0.0633","0.0666","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237009","10.4793","0.0013","8.7655","0.0011","11.4536","0.0014","90","","107.489","0.002","90","","1003.5","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Tris(5-amino-1H-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","","- C6 H24 N12 O11 P2 -","- C6 H24 N12 O11 P2 -","- C12 H48 N24 O22 P4 -","2","1","RU2044","Mrad, Mohamed Lahbib; Zeller, Matthias; Hernandez, Kristen J.; Rzaigui, Mohamed; Ben Nasr, Cherif","Tris(5-amino-1H-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate","Acta Crystallographica Section E","2012","68","12","o3257","o3258","10.1107/S1600536812044492","","","0.71073","MoKα","","0.0229","0.0225","","","0.0585","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237010","10.5271","0.0003","10.5271","0.0003","10.5271","0.0003","90","","90","","90","","1166.61","0.06","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dipraseodymium molybdenum scandium heptaoxide","","- Mo1.73 O6.97 Pr2 Sc0.27 -","- Mo1.734 O6.972 Pr2 Sc0.266 -","- Mo13.872 O55.776 Pr16 Sc2.128 -","8","0.0416667","RU2045","Gall, Philippe; Gougeon, Patrick","The pyrochlore-type molybdate Pr~2~Mo~1.73~Sc~0.27~O~7~","Acta Crystallographica Section E","2012","68","12","i92","","10.1107/S1600536812045138","","","0.7107","MoKα","","0.0253","0.0182","","","0.0439","0.0468","","","","","","1.329","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237011","24.5792","0.0006","7.5795","0.0002","8.3072","0.0002","90","","107.335","0.001","90","","1477.32","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-hydroxyimino- N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C56 H64 N24 O8 -","4","1","RZ5011","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-hydroxyimino-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2012","68","12","o3381","","10.1107/S1600536812045412","","","0.71073","MoKα","","0.036","0.0315","","","0.078","0.0813","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237012","14.5775","0.0013","11.0798","0.0011","9.5893","0.0009","90","","99.872","0.002","90","","1525.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-2-Hydroxy-5-methoxybenzylidene]-2-methoxybenzohydrazide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","RZ5014","Baharudin, M. Syukri.; Taha, Muhammad; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","N'-[(E)-2-Hydroxy-5-methoxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3255","","10.1107/S1600536812042389","","","0.71073","MoKα","","0.051","0.041","","","0.1136","0.1242","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237013","8.7816","0.0018","9.1233","0.0018","14.773","0.003","96.66","0.03","107.15","0.03","90.83","0.03","1121.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(±)-1-(1-Allyl-1H-benzimidazol-2-yl)ethanol","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","4","RZ5017","Li, Dong-Ping; Li, Min; Li, Shuai; Hu, Hang-Na","(±)-1-(1-Allyl-1H-benzimidazol-2-yl)ethanol","Acta Crystallographica Section E","2012","68","12","o3254","","10.1107/S1600536812044340","","","0.71073","MoKα","","0.0872","0.0548","","","0.1129","0.1281","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237014","5.4478","0.0007","10.5187","0.0014","14.8171","0.0018","90","","100.99","0.004","90","","833.5","0.18","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,6-diamino-4-chloropyrimidin-1-ium) fumarate","","- C6 H7 Cl N4 O2 -","- C6 H7 Cl N4 O2 -","- C24 H28 Cl4 N16 O8 -","4","1","RZ5019","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","Bis(2,6-diamino-4-chloropyrimidin-1-ium) fumarate","Acta Crystallographica Section E","2012","68","12","o3321","o3322","10.1107/S1600536812045308","","","0.71073","MoKα","","0.046","0.0422","","","0.1231","0.1265","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237015","7.6375","0.0002","9.517","0.0002","11.2413","0.0002","75.513","0.001","84.848","0.001","71.626","0.001","750.72","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","RZ5021","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3464","","10.1107/S160053681204682X","","","0.71073","MoKα","","0.0331","0.0281","","","0.0719","0.0745","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237016","17.1073","0.0004","8.123","0.0002","17.616","0.0004","90","","110.325","0.001","90","","2295.55","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-2-(1H-indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran- 3-carbonitrile","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","RZ5022","Rajni Swamy, V.; Krishnakumar, R. V.; Srinivasan, N.; Gunasekaran, P.; Perumal, S.","5-Benzoyl-2-(1H-indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran-3-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3441","","10.1107/S1600536812046764","","","0.71073","MoKα","","0.0698","0.0404","","","0.0992","0.115","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237017","15.2653","0.0008","4.5541","0.0002","23.7336","0.0009","90","","129.135","0.002","90","","1279.8","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Bromophenyl)-2-(2-chlorophenoxy)ethanone","","- C14 H10 Br Cl O2 -","- C14 H10 Br Cl O2 -","- C56 H40 Br4 Cl4 O8 -","4","1","RZ5023","Shenvi, Seema S.; Isloor, Arun M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","1-(4-Bromophenyl)-2-(2-chlorophenoxy)ethanone","Acta Crystallographica Section E","2012","68","12","o3478","","10.1107/S160053681204785X","","","0.71073","MoKα","","0.2065","0.0405","","","0.1079","0.1246","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237018","9.833","0.006","5.011","0.003","9.841","0.006","90","","118.27","0.01","90","","427.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-N,3-dimethylbenzamide","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C18 H24 N4 O2 -","2","1","RZ5025","Mei, Xiang-dong; Liang, Yan-hui; Li, Ke-Bin","2-Amino-N,3-dimethylbenzamide","Acta Crystallographica Section E","2012","68","12","o3474","","10.1107/S1600536812048027","","","0.71073","MoKα","","0.0433","0.0422","","","0.1099","0.1109","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237019","8.1987","0.0007","9.6729","0.0009","9.9328","0.0009","84.386","0.009","72.096","0.008","89.239","0.009","745.86","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(2,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C28 H28 N4 O8 S2 -","2","1","RZ5026","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(2,5-Dimethylphenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3426","","10.1107/S1600536812047630","","","0.71073","MoKα","","0.0517","0.0419","","","0.1003","0.1079","","","","","","1.143","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237020","16.1411","0.0001","10.745","0.0006","18.5378","0.0013","90","","113.579","0.002","90","","2946.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(1,3-diphenylpropane-1,3-dionato)methanolato-oxidovanadium(IV)","trans-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate","","- C33 H34 O8 V -","- C33 H34 O8 V -","- C132 H136 O32 V4 -","4","1","SJ5267","Pretorius, Carla; Venter, Johan A.; Roodt, Andreas","trans-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate","Acta Crystallographica Section E","2012","68","12","m1442","m1443","10.1107/S1600536812044686","","","0.71073","MoKα","","0.0627","0.0414","","","","0.1024","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237021","6.456","0.0002","13.0664","0.0003","15.8559","0.0004","90","","91.028","0.002","90","","1337.34","0.06","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","1-[(1Z)-1-Ferrocenylethylidene]thiocarbonohydrazide","","- C13 H16 Fe N4 S -","- C13 H16 Fe N4 S -","- C52 H64 Fe4 N16 S4 -","4","1","SJ5273","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Ishaq, Muhammad; Alamry, Khalid A.; Shafiq, Muhammad","1-[(Z)-1-Ferrocenylethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2012","68","12","m1439","","10.1107/S1600536812044078","","","1.54184","CuKα","","0.0631","0.0529","","","0.1438","0.1548","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237022","13.1818","0.0007","10.8481","0.0006","16.6888","0.0009","90","","95.06","0.001","90","","2377.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(η^6^-p-cymene)(ethoxydiphenylphosphane)ruthenium(II)","","- C24 H29 Cl2 O P Ru -","- C24 H29 Cl2 O P Ru -","- C96 H116 Cl8 O4 P4 Ru4 -","4","1","SJ5274","Knapp, Spring M. M.; Zakharov, Lev N.; Tyler, David R.","Dichlorido(η^6^-p-cymene)(ethoxydiphenylphosphane)ruthenium(II)","Acta Crystallographica Section E","2012","68","12","m1465","","10.1107/S1600536812045461","","","0.71073","MoKα","","0.0407","0.0297","","","0.0628","0.068","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237023","10.2036","0.0006","10.2166","0.0006","17.6687","0.0013","83.775","0.005","73.346","0.006","72.937","0.005","1686.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","","- C17 H16 Br2 O3 -","- C17 H16 Br2 O3 -","- C68 H64 Br8 O12 -","4","2","SJ5277","Smith, Graham","Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate","Acta Crystallographica Section E","2012","68","12","o3276","","10.1107/S1600536812044571","","","0.71073","MoKα","","0.0688","0.0551","","","0.1462","0.156","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237024","15.105","0.0013","20.124","0.002","15.1701","0.0014","90","","117.748","0.001","90","","4081","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Tris(4-bromophenyl)dichloridoantimony(V)","","- C18 H12 Br3 Cl2 Sb -","- C18 H12 Br3 Cl2 Sb -","- C144 H96 Br24 Cl16 Sb8 -","8","1","SJ5279","Qiao, Yanling; Jiang, Jin; Cui, Jichun","trans-Tris(4-bromophenyl)dichloridoantimony(V)","Acta Crystallographica Section E","2012","68","12","m1552","","10.1107/S160053681204809X","","","0.71073","MoKα","","0.0786","0.04","","","0.0858","0.0974","","","","","","0.913","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237025","9.397","0.0019","9.458","0.0019","10.131","0.002","70.24","0.03","67.11","0.03","75.52","0.03","773.3","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒ 1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","","- C24 H34 Mn2 N2 O20 -","- C24 H34 Mn2 N2 O20 -","- C24 H34 Mn2 N2 O20 -","1","0.5","SJ5281","Hwang, In Hong; Kim, Pan-Gi; Lee, Jae-Cheon; Kim, Cheal; Kim, Youngmee","Bis(μ-2-carboxymethyl-2-hydroxybutanedioato)bis[diaquamanganese(II)]‒1,2-bis(pyridin-4-yl)ethene‒water (1/1/2)","Acta Crystallographica Section E","2012","68","12","m1516","m1517","10.1107/S1600536812047034","","","0.71073","MoKα","","0.0482","0.0381","","","0.0946","0.0975","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237026","20.4359","0.0011","7.2437","0.0004","9.4693","0.0005","90","","98.222","0.003","90","","1387.35","0.13","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloro-2,2-dimethylpropanamido)benzenesulfonamide","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C44 H60 Cl4 N8 O12 S4 -","4","1","SJ5282","Yalçın, Şerife Pınar; Akkurt, Mehmet; Durgun, Mustafa; Türkkan, Baki; Türkmen, Hasan","4-(3-Chloro-2,2-dimethylpropanamido)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3430","","10.1107/S1600536812046806","","","0.71073","MoKα","","0.1632","0.0844","","","0.1896","0.231","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237027","7.1334","0.0015","8.4229","0.0018","15.292","0.002","90","","99.792","0.014","90","","905.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dihydrobenzo[g]quinoxaline-2,3-dione","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","SJ5284","Eya'ane Meva, François; Schaarschmidt, Dieter; Abdulmalic, Mohammad A.; Rüffer, Tobias","1,4-Dihydrobenzo[g]quinoxaline-2,3-dione","Acta Crystallographica Section E","2012","68","12","o3460","o3461","10.1107/S1600536812047526","","","0.71073","MoKα","","0.1269","0.0938","","","0.2305","0.2714","","","","","","0.919","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237028","12.5455","0.0001","10.1989","0.0001","15.934","0.0002","90","","99.5027","0.0011","90","","2010.78","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]- 1H-benzimidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","SU2508","Rahman, Md. Lutfor; Kwong, Huey Chong; Mohd. Yusoff, Mashitah; Hegde, Gurumurthy; Mohamed Tahir, Mohamed Ibrahim","1-[4-(Prop-2-en-1-yloxy)benzyl]-2-[4-(prop-2-en-1-yloxy)phenyl]-1H-benzimidazole","Acta Crystallographica Section E","2012","68","12","o3311","o3312","10.1107/S160053681204559X","","","1.5418","CuKα","","0.0414","0.0382","","0.1","0.0969","0.0999","","","","","","0.9888","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237029","4.894","0.003","5.769","0.004","18.369","0.009","97.226","0.003","90.088","0.004","96.796","0.004","510.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Tetraaquabis[2-(4-chlorophenoxy)acetato-κO^1^]nickel(II)","","- C16 H20 Cl2 Ni O10 -","- C16 H20 Cl2 Ni O10 -","- C16 H20 Cl2 Ni O10 -","1","0.5","SU2512","Ashurov, Jamshid; Ziyaev, Mavlonbek; Ibragimov, Bakhtiyar; Talipov, Samat","trans-Tetraaquabis[2-(4-chlorophenoxy)acetato-κO^1^]nickel(II)","Acta Crystallographica Section E","2012","68","12","m1464","","10.1107/S1600536812045540","","","1.54184","CuKα","","0.1093","0.0986","","","0.2453","0.2716","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237030","7.4423","0.0001","15.6578","0.0002","26.8496","0.0003","90","","90","","90","","3128.79","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(25R)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","","- C32 H47 Br Cl2 O5 -","- C32 H47 Br Cl2 O5 -","- C128 H188 Br4 Cl8 O20 -","4","1","SU2514","Rincón, Susana; Yépez, Rebeca; Ochoa, M. Eugenia; López, Yliana; Santillan, Rosa; Farfán, Norberto","(25R)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","o3260","o3261","10.1107/S1600536812043590","","","0.71073","MoKα","","0.1038","0.0683","","","0.1623","0.1809","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237031","4.748","0.0002","9.9256","0.0004","13.3084","0.0004","90","","91.468","0.003","90","","626.98","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","","- C11 H13 Cl N2 O3 -","- C11 H13 Cl N2 O3 -","- C22 H26 Cl2 N4 O6 -","2","1","SU2515","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Alamry, Khalid A.; Shafiq, Muhammad","Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate","Acta Crystallographica Section E","2012","68","12","o3274","","10.1107/S1600536812044285","","","1.54184","CuKα","","0.041","0.038","","","0.104","0.1087","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237032","17.443","0.004","11.2197","0.0019","9.4435","0.0019","90","","92.67","0.02","90","","1846.1","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(4-methylpyridin-2-amine-κN^1^)(2-{[(4-methylpyridin-2- yl)imino-κN]methyl}phenolato-κO)copper(II)","","- C19 H19 Cl Cu N4 O -","- C19 H19 Cl Cu N4 O -","- C76 H76 Cl4 Cu4 N16 O4 -","4","1","SU2518","Bhagyaraju, Bussa; Sambasiva Rao, P.; Swu, Toka","Chlorido(4-methylpyridin-2-amine-κN^1^)(2-{[(4-methylpyridin-2-yl)imino-κN]methyl}phenolato-κO)copper(II)","Acta Crystallographica Section E","2012","68","12","m1523","","10.1107/S1600536812047198","","","0.7107","MoKα","","0.1102","0.0553","","","0.0962","0.1135","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237033","5.9358","0.0001","25.6916","0.0004","9.0535","0.0001","90","","92.065","0.001","90","","1379.76","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-1-(2-methoxyphenyl)thiourea","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","SU2519","Selvakumaran, N.; Sheeba, M. Mary; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Benzoyl-1-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","12","o3259","","10.1107/S160053681204456X","","","1.54184","CuKα","","0.0366","0.034","","","0.0951","0.0974","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237034","8.26012","0.00015","20.2309","0.0004","16.5268","0.0003","90","","99.918","0.001","90","","2720.51","0.09","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,7-Dibutoxy-1,8-bis(4-fluorobenzoyl)naphthalene","[2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","","- C32 H30 F2 O4 -","- C32 H30 F2 O4 -","- C128 H120 F8 O16 -","4","1","SU2520","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dibutoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","Acta Crystallographica Section E","2012","68","12","o3287","","10.1107/S1600536812044923","","","1.54187","CuKα","","0.0459","0.0445","","","0.115","0.1162","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237035","5.5099","0.0003","11.8839","0.0005","15.1704","0.0006","90","","90","","90","","993.34","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Iododurene","1-Iodo-2,3,5,6-tetramethylbenzene","","- C10 H13 I -","- C10 H13 I -","- C40 H52 I4 -","4","1","SU2521","Hamdouni, Noudjoud; Brihi, Ouarda; Medjroubi, Mohamed Larbi; Meinnel, Jean; Boudjada, Ali","Iododurene","Acta Crystallographica Section E","2012","68","12","o3391","","10.1107/S1600536812046557","","","0.71073","MoKα","","0.0404","0.0346","","0.0446","0.0402","0.0394","","","","","","1.0371","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237036","8.0407","0.0002","8.0838","0.0002","11.3517","0.0002","80.126","0.001","85.091","0.001","66.773","0.001","667.88","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C32 H26 F2 O4 S2 -","2","1","SU2522","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2012","68","12","o3338","","10.1107/S1600536812044844","","","0.71073","MoKα","","0.0357","0.0339","","","0.09","0.0913","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237037","16.2403","0.0005","7.1539","0.0003","15.2458","0.0005","90","","90","","90","","1771.28","0.11","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","ferron-quinoline hydrate salt","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","","- C18 H14.6 I N2 O4.8 S -","- C18 H14.6 I N2 O4.8 S -","- C72 H58.4 I4 N8 O19.2 S4 -","4","1","SU2523","Smith, Graham","Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate","Acta Crystallographica Section E","2012","68","12","o3349","","10.1107/S1600536812046247","","","0.71073","MoKα","","0.0494","0.0397","","","0.0771","0.0819","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237038","6.3821","0.0008","32.301","0.004","6.8721","0.0008","90","","111.44","0.002","90","","1318.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(E)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)","","- C32 H26 N4 O4 -","- C32 H26 N4 O4 -","- C64 H52 N8 O8 -","2","0.5","SU2525","Castro-Montes, Paola; Guerrero-Alvarez, Jorge A.; Hopfl, Herbert; Campos-Gaxiola, Jose J.; Cruz-Enriquez, Adriana","4-[(E)-2-(Pyridin-2-yl)ethenyl]pyridine‒terephthalic acid (2/1)","Acta Crystallographica Section E","2012","68","12","o3383","o3384","10.1107/S1600536812046284","","","0.71073","MoKα","","0.0601","0.0546","","","0.1444","0.149","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237039","19.4146","0.0009","13.1517","0.0006","19.3459","0.0009","90","","94.66","0.002","90","","4923.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κP}platinum(II) dichloromethane disolvate","","- C42 H68 Cl6 N2 P2 Pt -","- C42 H68 Cl6 N2 P2 Pt -","- C168 H272 Cl24 N8 P8 Pt4 -","4","0.5","SU2526","Davis, Wade L.; Meijboom, Reinout","trans-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κP}platinum(II) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","12","m1561","","10.1107/S1600536812048465","","","1.54178","CuKα","","0.0254","0.0248","","","0.0665","0.067","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237040","7.1858","0.0001","9.8577","0.0002","29.331","0.0005","90","","96.8591","0.0015","90","","2062.8","0.06","119.9","0.6","119.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine","","- C24 H25 Cl N2 -","- C24 H25 Cl N2 -","- C96 H100 Cl4 N8 -","4","1","SU2527","Rivera, Augusto; Cardenas, Lorena; Ríos-Motta, Jaime; Eigner, Václav; Dušek, Michal","1,3-Dibenzyl-2-(2-chlorophenyl)-4-methylimidazolidine","Acta Crystallographica Section E","2012","68","12","o3427","o3428","10.1107/S1600536812047575","","","1.5418","CuKα","","0.0452","0.0434","","","0.1433","0.1443","","","","","","2.91","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237041","7.1256","0.0008","7.8537","0.0008","13.0769","0.0015","90","","115.678","0.001","90","","659.54","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-chloro-6-methylpyrimidin-4-amine","2-Chloro-6-methylpyrimidin-4-amine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","SU2530","Dong, Su-Lan; Cheng, Xiaochun","2-Chloro-6-methylpyrimidin-4-amine","Acta Crystallographica Section E","2012","68","12","o3455","","10.1107/S1600536812047794","","","0.71073","MoKα","","0.0582","0.0568","","","0.1413","0.1427","","","","","","1.165","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237042","8.4872","0.0001","8.773","0.0002","10.4572","0.0003","73.711","0.004","85.281","0.004","63.393","0.003","667.37","0.03","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","4-(5-Chloropentanamido)benzenesulfonamide","","- C11 H15 Cl N2 O3 S -","- C11 H15 Cl N2 O3 S -","- C22 H30 Cl2 N4 O6 S2 -","2","1","SU2531","Türkmen, Hasan; Yalçın, Şerife Pınar; Akkurt, Mehmet; Durgun, Mustafa","4-(5-Chloropentanamido)benzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3475","o3476","10.1107/S1600536812048118","","","0.71073","MoKα","","0.0916","0.0647","","","0.1543","0.1687","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237043","13.5314","0.0016","8.0328","0.0009","15.922","0.002","90","","90","","90","","1730.6","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Rubia: RS087:PhPEtO2H","rac-Ethyl(phenyl)phosphinic acid","","- C8 H11 O2 P -","- C8 H11 O2 P -","- C64 H88 O16 P8 -","8","1","SU2532","Burrow, Robert A.; da Silva, Rubia M. Siqueira","rac-Ethyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2012","68","12","o3488","","10.1107/S160053681204812X","","","0.71073","MoKα","","0.0918","0.0445","","","0.1054","0.1278","","","","","","1.094","","","","has coordinates,has Fobs","204117","2020-10-21","18:00:00",""
"2237044","10.5634","0.0004","10.648","0.0006","8.056","0.0007","90","","93.044","0.002","90","","904.85","0.1","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(phenylimino)methyl]-1H-pyrrol-1-ido}palladium(II)","","- C22 H18 N4 Pd -","- C22 H18 N4 Pd -","- C44 H36 N8 Pd2 -","2","0.5","SU2533","Imhof, Wolfgang","Bis{2-[(phenylimino)methyl]-1H-pyrrol-1-ido}palladium(II)","Acta Crystallographica Section E","2012","68","12","m1567","","10.1107/S1600536812048143","","","0.71073","MoKα","","0.0562","0.0317","","","0.0697","0.0781","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237045","14.747","0.002","9.1038","0.0013","21.376","0.003","90","","117.576","0.008","90","","2543.8","0.6","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","trans-Di-μ-chlorido-bis{chlorido[tris(3,5-dimethylphenyl)phosphane- κP]palladium(II)} dichloromethane monosolvate","","- C49 H56 Cl6 P2 Pd2 -","- C49 H56 Cl6 P2 Pd2 -","- C98 H112 Cl12 P4 Pd4 -","2","0.5","SU2534","Davis, Wade L.; Muller, Alfred","trans-Di-μ-chlorido-bis{chlorido[tris(3,5-dimethylphenyl)phosphane-κP]palladium(II)} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1563","m1564","10.1107/S1600536812048556","","","0.71073","MoKα","","0.0632","0.0402","","","0.0877","0.0981","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237046","12.556","0.005","20.881","0.008","4.6651","0.0018","90","","90","","90","","1223.1","0.8","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Benzyl-1H-benzotriazole 3-oxide monohydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","TK5165","Selvarathy Grace, P.; Jebas, Samuel Robinson; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyl-1H-benzotriazole 3-oxide monohydrate","Acta Crystallographica Section E","2012","68","12","o3297","","10.1107/S1600536812044868","","","0.71073","MoKα","","0.0928","0.052","","","0.1191","0.1403","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237047","8.7591","0.0014","6.5478","0.0008","19.456","0.003","90","","102.58","0.014","90","","1089.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxybenzamidinium acetate","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","TK5166","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium acetate","Acta Crystallographica Section E","2012","68","12","o3277","","10.1107/S1600536812044911","","","0.71073","MoKα","","0.0749","0.0556","","","0.1304","0.1412","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237048","14.1346","0.0005","15.2184","0.0006","14.5603","0.0006","90","","102.337","0.001","90","","3059.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1H)-dione","","- C37 H32 Cl2 N2 O2 -","- C37 H32 Cl2 N2 O2 -","- C148 H128 Cl8 N8 O8 -","4","1","TK5167","Suresh, J.; Nagalakshmi, R. A.; Kumar, R. Ranjith; Sivakumar, S.; Lakshman, P. L. Nilantha","5''-(4-Chlorobenzylidene)-1'-(4-chlorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione","Acta Crystallographica Section E","2012","68","12","o3315","o3316","10.1107/S160053681204545X","","","0.71073","MoKα","","0.0903","0.0461","","","0.0959","0.1133","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237049","7.3497","0.0003","8.472","0.0004","12.8629","0.0005","102.77","0.003","99.545","0.003","107.779","0.004","719.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate","","- C14 H16 O4 S2 -","- C14 H16 O4 S2 -","- C28 H32 O8 S4 -","2","1","TK5168","Akkurt, Mehmet; Kennedy, Alan R.; Younes, Sabry H. H.; Mohamed, Shaaban K.; Miller, Gary J.","Diethyl 3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2012","68","12","o3332","o3333","10.1107/S160053681204593X","","","0.71073","MoKα","","0.0638","0.0445","","","0.0951","0.1061","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237050","14.602","0.005","9.963","0.002","10.974","0.004","90","","93.321","0.013","90","","1593.8","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dibromo-2,2,6,6,7,7-hexamethyloctane-4-one","","- C14 H26 Br2 O -","- C14 H26 Br2 O -","- C56 H104 Br8 O4 -","4","1","TK5169","Sorensen, Ted S.; Hou, Jianjun; Parvez, Masood","3,5-Dibromo-2,2,6,6,7,7-hexamethyloctane-4-one","Acta Crystallographica Section E","2012","68","12","o3367","","10.1107/S160053681204603X","","","0.71073","MoKα","","0.0392","0.0291","","","0.069","0.0732","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237051","8.2823","0.0008","8.3436","0.0009","10.67","0.001","76.73","0.008","89.298","0.009","86.875","0.009","716.59","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(3,5-Dichlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H8 Cl2 N2 O4 S -","- C12 H8 Cl2 N2 O4 S -","- C24 H16 Cl4 N4 O8 S2 -","2","1","TK5173","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","N-(3,5-Dichlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","12","o3482","","10.1107/S1600536812048283","","","0.71073","MoKα","","0.0399","0.0347","","","0.0887","0.0922","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237052","8.998","0.003","8.4","0.003","24.643","0.007","90","","90","","90","","1862.6","1.1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dichloro-2,3-bis(chloromethyl)butane","","- C6 H10 Cl4 -","- C6 H10 Cl4 -","- C48 H80 Cl32 -","8","1","TK5174","Cordes, David B.; Aitken, Kati M.; Aitken, R. Alan","1,4-Dichloro-2,3-bis(chloromethyl)butane","Acta Crystallographica Section E","2012","68","12","o3495","","10.1107/S1600536812048398","","","0.71073","MoKα","","0.0319","0.03","","","0.0736","0.0748","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237053","38.8848","0.0008","13.5741","0.0003","10.8871","0.0002","90","","103.967","0.001","90","","5576.6","0.2","150","1","150","1","","","","","","","","6","C 1 2 1","C 2y","5","","[(R)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl- κ^2^P,P']{2-[(2R)-1,2-diamino-1-(4-methoxyphenyl)- 3-methylbutyl]-5-methoxyphenyl-κC^1^}hydridoruthenium(II) benzene monosolvate","","- C69 H64 N2 O2 P2 Ru -","- C69 H64 N2 O2 P2 Ru -","- C276 H256 N8 O8 P8 Ru4 -","4","1","VM2180","Abdur-Rashid, Kamaluddin; Lough, Alan J.","[(R)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^P,P']{2-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-κC^1^}hydridoruthenium(II) benzene monosolvate","Acta Crystallographica Section E","2012","68","12","m1486","m1487","10.1107/S1600536812046065","","","0.71073","MoKα","","0.051","0.0392","","","0.0835","0.0888","","","","","","1.036","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2237054","9.7207","0.0007","18.4183","0.0013","18.246","0.0012","90","","92.721","0.007","90","","3263.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*,2S*)-N,N'-Bis[(E)-1H-pyrrol-2- ylmethylidene]cyclohexane-1,2-diamine monohydrate","","- C16 H22 N4 O -","- C16 H22 N4 O -","- C128 H176 N32 O8 -","8","2","VM2181","Akerman, Kate J.","(1R*,2S*)-N,N'-Bis[(E)-1H-pyrrol-2-ylmethylidene]cyclohexane-1,2-diamine monohydrate","Acta Crystallographica Section E","2012","68","12","o3354","o3355","10.1107/S1600536812046193","","","0.71073","MoKα","","0.1001","0.0501","","","0.1167","0.1308","","","","","","0.845","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237055","11.7307","0.0008","11.901","0.0009","15.4224","0.0012","102.52","0.009","96.794","0.009","107.4","0.008","1966.6","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine- κN^1^]tetrakis(thiocyanato-κN)manganate(II)","","- C32 H42 Mn N12 S4 -","- C32 H42 Mn N12 S4 -","- C64 H84 Mn2 N24 S8 -","2","1","VM2182","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine-κN^1^]tetrakis(thiocyanato-κN)manganate(II)","Acta Crystallographica Section E","2012","68","12","m1528","","10.1107/S1600536812047678","","","0.71073","MoKα","","0.0644","0.0435","","","0.1107","0.1207","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237056","30.8562","0.0018","5.0491","0.0003","21.8915","0.0013","90","","119.403","0.001","90","","2971.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(9-allyl-6-carboxy-9H-carbazole-3-carboxylato- κ^2^O^3^,O^3'^)diaquazinc","","- C34 H28 N2 O10 Zn -","- C34 H28 N2 O10 Zn -","- C136 H112 N8 O40 Zn4 -","4","0.5","VN2058","Li, Dailin","Bis(9-allyl-6-carboxy-9H-carbazole-3-carboxylato-κ^2^O^3^,O^3'^)diaquazinc","Acta Crystallographica Section E","2012","68","12","m1462","","10.1107/S1600536812045357","","","0.71073","MoKα","","0.0487","0.0357","","","0.093","0.1004","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237057","8.01","0.002","8.788","0.002","14.294","0.004","90","","103.019","0.012","90","","980.3","0.4","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis(butane-1,4-diammonium) di-μ-oxido-bis[trifluoridooxidomolybdate(V)] monohydrate","","- C8 H30 F6 Mo2 N4 O5 -","- C8 H30 F6 Mo2 N4 O5 -","- C16 H60 F12 Mo4 N8 O10 -","2","0.5","VN2059","Lhoste, J.; Hemon-Ribaud, A.; Maisonneuve, V.; Jobic, S.; Bujoli-Doeuff, M.","Bis(butane-1,4-diammonium) di-μ-oxido-bis[trifluoridooxidomolybdate(V)] monohydrate","Acta Crystallographica Section E","2012","68","12","m1520","","10.1107/S1600536812046892","","","0.71073","MoKα","","0.0395","0.03","","","0.073","0.0782","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237058","9.4445","0.0004","12.7322","0.0004","16.9153","0.0005","109.098","0.003","92.905","0.003","96.05","0.003","1903.53","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","(1H-Pyrazole-κN)bis(tri-tert-butoxysilanethiolato- κ^2^O,S)cadmium","","- C27 H58 Cd N2 O6 S2 Si2 -","- C27 H58 Cd N2 O6 S2 Si2 -","- C54 H116 Cd2 N4 O12 S4 Si4 -","2","1","VN2060","Baranowska, Katarzyna; Bulman, Mateusz; Dołega, Anna","(1H-Pyrazole-κN)bis(tri-tert-butoxysilanethiolato-κ^2^O,S)cadmium","Acta Crystallographica Section E","2012","68","12","m1515","","10.1107/S1600536812047186","","","0.71073","MoKα","","0.0495","0.039","","","0.097","0.1027","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237059","8.7857","0.0007","13.5401","0.0008","12.2054","0.0009","90","","95.74","0.006","90","","1444.67","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-pyridine-4-carboxylato-κ^3^O:O':N)(pyridin- 1-ium-4-carboxylato-κO)(thiocyanato-κN)cobalt(II)]","","- C13 H9 Co N3 O4 S -","- C13 H9 Co N3 O4 S -","- C52 H36 Co4 N12 O16 S4 -","4","1","WM2684","Neumann, Tristan; Werner, Julia; Jess, Inke; Näther, Christian","Poly[(μ~3~-pyridine-4-carboxylato-κ^3^O:O':N)(pyridin-1-ium-4-carboxylato-κO)(thiocyanato-κN)cobalt(II)]","Acta Crystallographica Section E","2012","68","12","m1435","","10.1107/S1600536812044431","","","0.71073","MoKα","","0.0594","0.0446","","","0.0929","0.0983","","","","","","1.131","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237060","8.344","0.0002","12.5214","0.0003","13.3871","0.0002","90","","90","","90","","1398.66","0.05","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κN)tin(IV)]","","- C6 H14 N2 O2 S2 Sn2 -","- C6 H14 N2 O2 S2 Sn2 -","- C24 H56 N8 O8 S8 Sn8 -","4","0.5","WM2689","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κN)tin(IV)]","Acta Crystallographica Section E","2012","68","12","m1436","","10.1107/S1600536812043462","","","0.71073","MoKα","","0.0376","0.0257","","","0.0528","0.0562","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237061","11.492","0.001","9.9604","0.0008","7.7106","0.0009","90","","109.585","0.009","90","","831.53","0.15","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Silver zinc hexadecaphosphide","","- Ag3.73 P16 Zn2.27 -","- Ag3.728 P16 Zn2.272 -","- Ag7.456 P32 Zn4.544 -","2","0.25","WM2694","Köpf, Marianne; Osters, Oliver; Bawohl, Melanie; Nilges, Tom","The layered polyphosphide Ag~3.73(4)~Zn~2.27(4)~P~16~","Acta Crystallographica Section E","2012","68","12","i91","","10.1107/S1600536812045667","","","0.71073","MoKα","","0.023","0.0175","","","0.0409","0.0424","","","","","","1.39","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237062","8.2156","0.0017","13.248","0.003","14.317","0.003","98.82","0.02","97.42","0.02","102.42","0.02","1482.4","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diisopropylhydoxylaminato)- κ^2^O:N;κ^2^O:O- bis[(diisopropylhydoxylaminato-κO)beryllium]","","- C24 H56 Be2 N4 O4 -","- C24 H56 Be2 N4 O4 -","- C48 H112 Be4 N8 O8 -","2","1","WM2695","Berger, Raphael Johann Friedrich; Jana, Surajit; Monkowius, Uwe; Mitzel, Norbert Werner","Bis(μ-diisopropylhydoxylaminato)-κ^2^O:N;κ^2^O:O-bis[(diisopropylhydoxylaminato-κO)beryllium]","Acta Crystallographica Section E","2012","68","12","m1463","","10.1107/S1600536812045655","","","0.71073","MoKα","","0.1557","0.0611","","","0.127","0.1688","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237063","9.3531","0.0004","7.3521","0.0001","17.9903","0.0007","90","","95.6","0.002","90","","1231.2","0.07","273","","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipyridinium diaquabis(pyrazole-3,5-dicarboxylato-κ^2^N,O)cuprate(II) dihydrate","","- C20 H24 Cu N6 O12 -","- C20 H24 Cu N6 O12 -","- C40 H48 Cu2 N12 O24 -","2","0.5","WM2698","Si, Youtao","Dipyridinium diaquabis(pyrazole-3,5-dicarboxylato-κ^2^N,O)cuprate(II) dihydrate","Acta Crystallographica Section E","2012","68","12","m1497","m1498","10.1107/S1600536812046508","","","0.71073","MoKα","","0.091","0.0754","","","0.1464","0.1543","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237064","11.9467","0.0002","14.6159","0.0002","15.519","0.0003","90","","100.339","0.002","90","","2665.8","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-{2,6-Bis[(di-tert- butylphosphanyl)methyl]cyclohexyl- κ^3^P,C^1^,P'}chloridopalladium(II)","","- C24 H49 Cl P2 Pd -","- C24 H49 Cl P2 Pd -","- C96 H196 Cl4 P8 Pd4 -","4","1","WM2700","Olsson, Daniel; Janse van Rensburg, J. Marthinus; Wendt, Ola F.","cis-{2,6-Bis[(di-tert-butylphosphanyl)methyl]cyclohexyl-κ^3^P,C^1^,P'}chloridopalladium(II)","Acta Crystallographica Section E","2012","68","12","m1513","","10.1107/S1600536812047022","","","0.71073","MoKα","","0.0433","0.0281","","","0.0661","0.0695","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237065","9.664","0.0019","13.052","0.003","15.947","0.003","88.66","0.03","84.8","0.03","85.72","0.03","1997.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[5-(Pyridin-2-yl)-1H-tetrazole- κ^2^N^4^,N^5^]bis(triphenylphosphane-κP)copper(I) tetrafluoridoborate","","- C42 H35 B Cu F4 N5 P2 -","- C42 H35 B Cu F4 N5 P2 -","- C84 H70 B2 Cu2 F8 N10 P4 -","2","1","XU5633","Lu, Lei; Yang, Ping; Li, Bing; Shi, Lin-Fang; Cao, Hua-Ru","[5-(Pyridin-2-yl)-1H-tetrazole-κ^2^N^4^,N^5^]bis(triphenylphosphane-κP)copper(I) tetrafluoridoborate","Acta Crystallographica Section E","2012","68","12","m1527","","10.1107/S1600536812047605","","","0.71073","MoKα","","0.1183","0.05","","","0.1043","0.1658","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237066","22.8022","0.0011","14.2637","0.0008","8.2259","0.0004","90","","90","","90","","2675.4","0.2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Chloro-1H-1,2,3-benzotriazole","","- C6 H4 Cl N3 -","- C6 H4 Cl N3 -","- C96 H64 Cl16 N48 -","16","1","XU5634","Yuan, Ming-Yong; Zhao, Xia; Zheng, Ling-Li","1-Chloro-1H-1,2,3-benzotriazole","Acta Crystallographica Section E","2012","68","12","o3432","","10.1107/S1600536812044820","","","0.71073","MoKα","","0.0335","0.0303","","","0.0583","0.0602","","","","","","1.059","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2237067","26.37","0.005","8.97","0.002","20.35","0.004","90","","126.184","0.01","90","","3885.2","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(adeninium) bis(hydrogensulfate) sulfate","","- C10 H16 N10 O12 S3 -","- C10 H16 N10 O12 S3 -","- C80 H128 N80 O96 S24 -","8","1","XU5635","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","Bis(adeninium) bis(hydrogensulfate) sulfate","Acta Crystallographica Section E","2012","68","12","o3266","o3267","10.1107/S1600536812044728","","","0.71073","MoKα","","0.0693","0.0428","","","0.1164","0.1308","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237068","7.3063","0.0002","8.3258","0.0005","13.126","0.0007","90.695","0.006","105.935","0.004","110.232","0.004","715.32","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(3-Acetyl-5-carboxylato-4-methyl-1H-pyrazol-1-ido- κ^2^N^1^,O^5^)aqua[(pyridin-2-yl)methanamine- κ^2^N,N']copper(II)","","- C13 H16 Cu N4 O4 -","- C13 H16 Cu N4 O4 -","- C26 H32 Cu2 N8 O8 -","2","1","XU5636","Malinkin, Sergey; Pavlenko, Vadim A.; Gumienna-Kontecka, Elzbieta; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.","(3-Acetyl-5-carboxylato-4-methyl-1H-pyrazol-1-ido-κ^2^N^1^,O^5^)aqua[(pyridin-2-yl)methanamine-κ^2^N,N']copper(II)","Acta Crystallographica Section E","2012","68","12","m1455","m1456","10.1107/S1600536812044959","","","0.71073","MoKα","","0.0344","0.0274","","","0.0723","0.074","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237069","8.2516","0.0002","8.8822","0.0002","14.7524","0.0004","74.857","0.002","86.315","0.002","74.635","0.002","1006.38","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2,4,6-Trimethylphenyl){2-[N-(2,4,6- trimethylphenyl)formamido]ethyl}ammonium chloride","","- C21 H29 Cl N2 O -","- C21 H29 Cl N2 O -","- C42 H58 Cl2 N4 O2 -","2","1","XU5637","Ikhile, Monisola I.; Bala, Muhammad D.","(2,4,6-Trimethylphenyl){2-[N-(2,4,6-trimethylphenyl)formamido]ethyl}ammonium chloride","Acta Crystallographica Section E","2012","68","12","o3263","","10.1107/S1600536812044595","","","0.71073","MoKα","","0.081","0.0443","","","0.0955","0.1073","","","","","","0.903","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237070","11.3021","0.0005","11.4445","0.0005","15.086","0.0006","91.089","0.004","96.024","0.003","96.448","0.004","1927.34","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(5,5'-dimethyl-2,2'-bipyridine- κ^2^N,N')(dimethylformamide-κO)indium(III) hemihydrate","","- C15 H20 Cl3 In N3 O1.5 -","- C15 H20 Cl3 In N3 O1.5 -","- C60 H80 Cl12 In4 N12 O6 -","4","2","XU5639","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali","Trichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethylformamide-κO)indium(III) hemihydrate","Acta Crystallographica Section E","2012","68","12","m1448","m1449","10.1107/S1600536812044698","","","0.71073","MoKα","","0.0507","0.0336","","","0.0631","0.0666","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237071","11.8005","0.0002","14.5169","0.0002","18.483","0.0003","89.4032","0.0008","85.4648","0.0009","87.7804","0.0009","3153.89","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(triphenylphosphane-κP)silver(I) trifluoroacetate ethanol monosolvate","","- C76 H66 Ag F3 O3 P4 -","- C76 H66 Ag F3 O3 P4 -","- C152 H132 Ag2 F6 O6 P8 -","2","1","XU5640","Ng, Seik Weng","Tetrakis(triphenylphosphane-κP)silver(I) trifluoroacetate ethanol monosolvate","Acta Crystallographica Section E","2012","68","12","m1536","","10.1107/S1600536812045060","","","0.71073","MoKα","","0.0639","0.0469","","","0.1111","0.1218","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237072","11.9069","0.0002","14.553","0.0003","18.5573","0.0004","88.893","0.002","85.782","0.001","86.808","0.001","3201.57","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(triphenylarsane-κAs)silver(I) trifluoroacetate hemihydrate methanol hemisolvate","","- C74.5 H63 Ag As4 F3 O3 -","- C74.5 H63 Ag As4 F3 O3 -","- C149 H126 Ag2 As8 F6 O6 -","2","1","XU5641","Ng, Seik Weng","Tetrakis(triphenylarsane-κAs)silver(I) trifluoroacetate hemihydrate methanol hemisolvate","Acta Crystallographica Section E","2012","68","12","m1537","","10.1107/S1600536812045072","","","0.71073","MoKα","","0.0874","0.0478","","","0.095","0.1112","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237073","13.3568","0.0008","15.0271","0.0009","20.7493","0.0013","71.359","0.002","71.551","0.002","89.253","0.002","3725.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2- diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate","","- C47.33 H58 Cd2 N4 Na2 O12.67 -","- C47.3333 H58 Cd2 N4 Na2 O12.6667 -","- C142 H174 Cd6 N12 Na6 O38 -","3","1.5","XU5642","Ng, Seik Weng","Di-μ~3~-acetato-bis{μ-6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate","Acta Crystallographica Section E","2012","68","12","m1548","m1549","10.1107/S1600536812047356","","","0.71073","MoKα","","0.0624","0.0536","","","0.1401","0.147","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237074","12.23","0.004","12.346","0.003","16.794","0.005","82.229","0.007","72.773","0.006","81.181","0.01","2382.5","1.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonine- 5,11,16,21-tetraone","","","- C34 H16 O5 -","- C34 H16 O5 -","- C136 H64 O20 -","4","2","XU5643","Mohamed, Shaaban Kamel; Akkurt, Mehmet; Tahir, Muhammad N.; Abdelhamid, Antar A.; Marzouk, Adel A.","Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonine-5,11,16,21-tetraone","Acta Crystallographica Section E","2012","68","12","o3363","o3364","10.1107/S1600536812046363","","","0.71073","MoKα","","0.1558","0.0556","","","0.1031","0.1346","","","","","","0.938","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237075","9.2992","0.0004","24.808","0.001","9.8158","0.0005","90","","108.453","0.001","90","","2148.02","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2-[(pyrimidin-2-yl)aminomethyl]phenolato}- κ^2^N^1^:O;κ^2^O:N^1^-bis({2-[(pyrimidin-2- yl-κN)aminomethyl]phenol}silver(I)) dihydrate","","- C44 H46 Ag2 N12 O6 -","- C44 H46 Ag2 N12 O6 -","- C88 H92 Ag4 N24 O12 -","2","0.5","XU5644","Gao, Shan; Ng, Seik Weng","Bis{μ-2-[(pyrimidin-2-yl)aminomethyl]phenolato}-κ^2^N^1^:O;κ^2^O:N^1^-bis({2-[(pyrimidin-2-yl-κN)aminomethyl]phenol}silver(I)) dihydrate","Acta Crystallographica Section E","2012","68","12","m1538","m1539","10.1107/S1600536812045783","","","0.71073","MoKα","","0.0816","0.0439","","","0.0939","0.133","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237076","7.5987","0.0004","13.7931","0.0007","16.1308","0.001","89.159","0.002","88.236","0.002","82.777","0.001","1676.35","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris{2-[(pyrimidin-2-yl-κN)aminomethyl]phenol}silver(I) nitrate","","- C33 H33 Ag N10 O6 -","- C33 H33 Ag N10 O6 -","- C66 H66 Ag2 N20 O12 -","2","1","XU5645","Gao, Shan; Ng, Seik Weng","Tris{2-[(pyrimidin-2-yl-κN)aminomethyl]phenol}silver(I) nitrate","Acta Crystallographica Section E","2012","68","12","m1543","","10.1107/S1600536812046119","","","0.71073","MoKα","","0.1511","0.0619","","","0.1157","0.1771","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237077","7.2913","0.001","8.3395","0.001","13.1415","0.0017","92.934","0.004","95.008","0.004","111.36","0.003","738.38","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-(E)-N-(pyridin-3-ylmethylidene)hydroxyamine]- κ^2^N^1^:N^3^;κ^2^N^3^:N^1^-bis{[(E)- N-(pyridin-3-ylmethylidene-κN)hydroxyamine]silver(I)} dinitrate","","- C24 H24 Ag2 N10 O10 -","- C24 H24 Ag2 N10 O10 -","- C24 H24 Ag2 N10 O10 -","1","0.5","XU5646","Gao, Shan; Ng, Seik Weng","Bis[μ-(E)-N-(pyridin-3-ylmethylidene)hydroxyamine]-κ^2^N^1^:N^3^;κ^2^N^3^:N^1^-bis{[(E)-N-(pyridin-3-ylmethylidene-κN)hydroxyamine]silver(I)} dinitrate","Acta Crystallographica Section E","2012","68","12","m1547","","10.1107/S1600536812045898","","","0.71073","MoKα","","0.046","0.0396","","","0.0946","0.1072","","","","","","1.112","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237078","18.027","0.003","4.6907","0.0006","17.702","0.0019","90","","90","","90","","1496.9","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(Nitrato-κ^2^O,O')bis[(E)-N-(pyridin-4- ylmethylidene-κN)hydroxyamine]silver(I)","","- C12 H12 Ag N5 O5 -","- C12 H12 Ag N5 O5 -","- C48 H48 Ag4 N20 O20 -","4","0.5","XU5647","Gao, Shan; Ng, Seik Weng","(Nitrato-κ^2^O,O')bis[(E)-N-(pyridin-4-ylmethylidene-κN)hydroxyamine]silver(I)","Acta Crystallographica Section E","2012","68","12","m1542","","10.1107/S1600536812046107","","","0.71073","MoKα","","0.0853","0.0499","","","0.12","0.1621","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237079","13.1628","0.0018","10.9926","0.0018","16.315","0.002","90","","110.412","0.004","90","","2212.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-(E)-N-(pyridin-4-ylmethylidene)hydroxylaminato- κ^3^O:N:N'][μ~2~-(E)-N-(pyridin-4- ylmethylidene)hydroxylamine-κ^2^N:N'][(E)-N- (pyridin-4-ylmethylidene-κN)hydroxylamine]disilver(I)] nitrate]","","- C18 H17 Ag2 N7 O6 -","- C18 H17 Ag2 N7 O6 -","- C72 H68 Ag8 N28 O24 -","4","1","XU5648","Gao, Shan; Ng, Seik Weng","Poly[[[μ~3~-(E)-N-(pyridin-4-ylmethylidene)hydroxylaminato-κ^3^O:N:N'][μ~2~-(E)-N-(pyridin-4-ylmethylidene)hydroxylamine-κ^2^N:N'][(E)-N-(pyridin-4-ylmethylidene-κN)hydroxylamine]disilver(I)] nitrate]","Acta Crystallographica Section E","2012","68","12","m1540","m1541","10.1107/S1600536812046090","","","0.71073","MoKα","","0.067","0.0417","","","0.1023","0.1193","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237080","17.979","0.004","10.5319","0.0018","7.4496","0.0016","90","","108.403","0.017","90","","1338.5","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')cadmium]-di-μ-bromido]","","- C12 H12 Br2 Cd N2 -","- C12 H12 Br2 Cd N2 -","- C48 H48 Br8 Cd4 N8 -","4","0.5","XU5649","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","catena-Poly[[(4,4'-dimethyl-2,2'-bipyridine-κ^2^N,N')cadmium]-di-μ-bromido]","Acta Crystallographica Section E","2012","68","12","m1493","m1494","10.1107/S1600536812046636","","","0.71073","MoKα","","0.1191","0.0793","","","0.1449","0.1549","","","","","","1.236","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237081","8.6103","0.0006","15.1325","0.0008","15.4263","0.001","90","","98.347","0.005","90","","1988.7","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethylformamide- κO)diiodidocadmium","","- C15 H19 Cd I2 N3 O -","- C15 H19 Cd I2 N3 O -","- C60 H76 Cd4 I8 N12 O4 -","4","1","XU5650","Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Borsalani, Ali","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethylformamide-κO)diiodidocadmium","Acta Crystallographica Section E","2012","68","12","m1495","","10.1107/S1600536812046648","","","0.71073","MoKα","","0.0662","0.0401","","","0.0777","0.0837","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237082","9.5935","0.0002","10.3084","0.0002","12.6606","0.0003","68.326","0.003","74.999","0.003","66.916","0.002","1060.81","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-methylbenzoato)-κ^3^O,O':O; κ^3^O:O,O'-bis[aqua(4-methylbenzoato- κ^2^O,O')(nicotinamide-κN^1^)cadmium]","","- C44 H44 Cd2 N4 O12 -","- C44 H44 Cd2 N4 O12 -","- C44 H44 Cd2 N4 O12 -","1","0.5","XU5651","Dincel, Öznur; Tercan, Barış; Çimen, Efdal; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(μ-4-methylbenzoato)-κ^3^O,O':O;κ^3^O:O,O'-bis[aqua(4-methylbenzoato-κ^2^O,O')(nicotinamide-κN^1^)cadmium]","Acta Crystallographica Section E","2012","68","12","m1510","m1511","10.1107/S1600536812047046","","","0.71073","MoKα","","0.0199","0.0194","","","0.0475","0.0478","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237083","9.2959","0.0008","9.721","0.0007","10.2448","0.0009","90.388","0.007","94.381","0.007","103.646","0.007","896.72","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","[μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane- κ^2^N^1^:N^4^]bis[trimethyl(thiocyanato-κN)tin(IV)]","","- C32 H40 N6 S2 Sn2 -","- C32 H40 N6 S2 Sn2 -","- C32 H40 N6 S2 Sn2 -","1","0.5","XU5652","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","[μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane-κ^2^N^1^:N^4^]bis[trimethyl(thiocyanato-κN)tin(IV)]","Acta Crystallographica Section E","2012","68","12","m1550","","10.1107/S160053681204737X","","","0.71073","MoKα","","0.0383","0.031","","","0.0701","0.0764","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237084","8.0434","0.0004","20.6952","0.001","12.0102","0.0006","90","","95.42","0.005","90","","1990.28","0.17","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethylbis(2-methylquinolin-8-olato-κ^2^N,O)tin(IV)","","- C22 H22 N2 O2 Sn -","- C22 H22 N2 O2 Sn -","- C88 H88 N8 O8 Sn4 -","4","1","XU5653","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","Dimethylbis(2-methylquinolin-8-olato-κ^2^N,O)tin(IV)","Acta Crystallographica Section E","2012","68","12","m1551","","10.1107/S1600536812047393","","","0.71073","MoKα","","0.0617","0.0385","","","0.0808","0.0941","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237085","9.908","0.002","10.398","0.002","11.176","0.002","90","","90","","90","","1151.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium perchlorate","","- C2 H5 Cl N2 O4 -","- C2 H5 Cl N2 O4 -","- C16 H40 Cl8 N16 O32 -","8","1","XU5654","Quan, Jing","Cyanomethanaminium perchlorate","Acta Crystallographica Section E","2012","68","12","o3480","","10.1107/S1600536812047782","","","0.71073","MoKα","","0.0392","0.0344","","","0.0936","0.096","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237086","9.6957","0.0004","20.0969","0.001","18.3718","0.0007","90","","133.962","0.004","90","","2576.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κP)palladium(II)]","","- C60 H48 I2 P2 Pd2 -","- C60 H48 I2 P2 Pd2 -","- C120 H96 I4 P4 Pd4 -","2","0.5","YK2076","Brown, Shayne; Crundwell, Guy","Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κP)palladium(II)]","Acta Crystallographica Section E","2012","68","12","m1526","","10.1107/S1600536812047733","","","0.71073","MoKα","","0.1067","0.0571","","","0.1189","0.1342","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237087","7.5459","0.0006","14.6579","0.0011","18.7078","0.0014","83.866","0.002","86.457","0.002","86.478","0.002","2050.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","μ-Carbonato-κ^4^O,O':O',O''-bis{[2'-(di- tert-butylphosphanyl)biphenyl-2-yl- κ^2^P,C^1^]palladium(II)} dichloromethane monosolvate","","- C42 H54 Cl2 O3 P2 Pd2 -","- C42 H54 Cl2 O3 P2 Pd2 -","- C84 H108 Cl4 O6 P4 Pd4 -","2","1","YK2080","Muller, Alfred; Holzapfel, Cedric W.","μ-Carbonato-κ^4^O,O':O',O''-bis{[2'-(di-tert-butylphosphanyl)biphenyl-2-yl-κ^2^P,C^1^]palladium(II)} dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1574","m1575","10.1107/S1600536812048702","","","0.71073","MoKα","","0.0257","0.0195","","","","0.0441","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237088","8.1923","0.0017","8.7859","0.0016","9.714","0.002","109.451","0.007","99.54","0.007","96.474","0.007","639.5","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","(E)-tert-Butyl 4-(N'-hydroxycarbamimidoyl)piperazine-1-carboxylate","","- C10 H20 N4 O3 -","- C10 H20 N4 O3 -","- C20 H40 N8 O6 -","2","1","ZJ2096","Sreenivasa, S.; Manojkumar, K. E.; Suchetan, P. A.; Mohan, N. R.; Palakshamurthy, B. S.","(E)-tert-Butyl 4-(N'-hydroxycarbamimidoyl)piperazine-1-carboxylate","Acta Crystallographica Section E","2012","68","12","o3347","","10.1107/S1600536812046223","","","0.71073","MoKα","","0.0644","0.0444","","","","0.1298","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237089","6.266","0.001","8.586","0.002","24.868","0.005","90","","92.24","0.03","90","","1336.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one","","- C13 H21 Cl O2 -","- C13 H21 Cl O2 -","- C52 H84 Cl4 O8 -","4","1","ZJ2098","Liu, Shan; Yang, Xiao-Yan; Zhang, Yu-Ling","(E)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one","Acta Crystallographica Section E","2012","68","12","o3485","","10.1107/S1600536812048544","","","0.71073","MoKα","","0.1032","0.0676","","","0.1584","0.1792","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237090","25.7464","0.001","6.9203","0.0002","16.9735","0.0006","90","","116.045","0.002","90","","2717.11","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 2-(3-chlorobenzamido)benzoate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","1","ZL2515","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Methyl 2-(3-chlorobenzamido)benzoate","Acta Crystallographica Section E","2012","68","12","o3400","o3401","10.1107/S1600536812046934","","","0.71073","MoKα","","0.0851","0.0467","","","0.121","0.1441","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237091","6.8541","0.0005","35.206","0.004","9.2992","0.0007","90","","99.06","0.007","90","","2216","0.3","180","","180","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1S*,2R*,3S*,4R*,5R*)-5- Tetradecyloxymethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride","","- C23 H38 O5 -","- C23 H38 O5 -","- C92 H152 O20 -","4","1","ZL2516","Kelly, Colin N.; Sulon, Sarah M.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E.; Forbes, David C.","(1S*,2R*,3S*,4R*,5R*)-5-Tetradecyloxymethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride","Acta Crystallographica Section E","2012","68","12","o3374","","10.1107/S1600536812046259","","","0.7107","MoKα","","0.0743","0.0492","","","0.0962","0.1079","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237092","10.9189","0.0004","12.4167","0.0005","21.4545","0.0009","90","","90","","90","","2908.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hexacarbonyl-2κ^3^C,3κ^3^C-di-μ~3~-sulfido- tetrakis(tetrahydrofuran-1κO)calciumdiiron(II)(Fe—Fe)","","- C22 H32 Ca Fe2 O10 S2 -","- C22 H32 Ca Fe2 O10 S2 -","- C88 H128 Ca4 Fe8 O40 S8 -","4","1","ZL2517","Ogienko, Mikhail A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Hexacarbonyl-2κ^3^C,3κ^3^C-di-μ~3~-sulfido-tetrakis(tetrahydrofuran-1κO)calciumdiiron(II)(Fe—Fe)","Acta Crystallographica Section E","2012","68","12","m1559","m1560","10.1107/S1600536812048039","","","0.71073","MoKα","","0.0345","0.0267","","","0.0554","0.0574","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237093","7.4457","0.0001","12.1352","0.0004","36.1109","0.0011","90","","90","","90","","3262.8","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cis-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","","- C31 H23 Cl5 N2 O6 Pd -","- C31 H23 Cl5 N2 O6 Pd -","- C124 H92 Cl20 N8 O24 Pd4 -","4","1","ZQ2184","Tskhovrebov, Alexander; Haukka, Matti","cis-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","Acta Crystallographica Section E","2012","68","12","m1476","m1477","10.1107/S1600536812045801","","","0.71073","MoKα","","0.06","0.037","","","0.0607","0.0668","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237094","8.1019","0.0004","20.3208","0.0011","12.3647","0.0006","90","","104.371","0.002","90","","1971.99","0.17","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide","","- C20 H20 N2 S4 -","- C20 H20 N2 S4 -","- C80 H80 N8 S16 -","4","1","ZQ2186","Srinivasan, N.; Thirumaran, S.; Selvanayagam, S.","Bis(1,2,3,4-tetrahydroquinoline-1-thiocarbonyl) disulfide","Acta Crystallographica Section E","2012","68","12","o3446","","10.1107/S1600536812047320","","","0.71073","MoKα","","0.0488","0.0377","","","0.0961","0.1042","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237095","6.6807","0.0017","10.4409","0.0017","9.9707","0.0019","90","","90","","90","","695.5","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","3,3-Dinitroazetidinium chloride","","- C3 H6 Cl N3 O4 -","- C3 H6 Cl N3 O4 -","- C12 H24 Cl4 N12 O16 -","4","0.5","ZQ2187","Yan, Biao; Li, Hong-Ya; Zhao, Ning-Ning; Li, Jie; Ma, Hai-Xia","3,3-Dinitroazetidinium chloride","Acta Crystallographica Section E","2012","68","12","o3376","","10.1107/S1600536812046302","","","0.71073","MoKα","","0.0212","0.021","","","0.0547","0.0549","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237096","12.1491","0.001","14.0203","0.0013","14.4334","0.0013","72.764","0.002","78.362","0.002","75.545","0.002","2252","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichloridobis{tris[4-(trifluoromethyl)phenyl]phosphane- κP}palladium(II) dichloromethane monosolvate","","- C43 H26 Cl4 F18 P2 Pd -","- C43 H26 Cl4 F18 P2 Pd -","- C86 H52 Cl8 F36 P4 Pd2 -","2","1","ZQ2189","Davis, Wade L.; Muller, Alfred","trans-Dichloridobis{tris[4-(trifluoromethyl)phenyl]phosphane-κP}palladium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","m1508","m1509","10.1107/S1600536812046971","","","0.71073","MoKα","","0.0405","0.0319","","","0.0718","0.0767","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237097","9.4823","0.0008","11.4272","0.0009","12.343","0.001","80.652","0.002","76.592","0.002","89.013","0.002","1283.42","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl- κ^2^C^1^,P}palladium(II)) dichloromethane disolvate","","- C62 H44 Cl6 P2 Pd2 -","- C62 H44 Cl6 P2 Pd2 -","- C62 H44 Cl6 P2 Pd2 -","1","0.5","ZQ2190","Davis, Wade L.; Muller, Alfred","Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl-κ^2^C^1^,P}palladium(II)) dichloromethane disolvate","Acta Crystallographica Section E","2012","68","12","m1565","m1566","10.1107/S1600536812048222","","","0.71073","MoKα","","0.0597","0.0524","","","0.1468","0.154","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237098","8.1819","0.0009","10.4285","0.0018","9.2965","0.0009","90","","99.962","0.008","90","","781.26","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Methoxy-2-benzofuran-1(3H)-one","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","ZS2239","Paixão, Drielly A.; Guilardi, Silvana; Pereira, Jorge L.; Teixeira, Róbson R.; Arantes, Júnior F.","5-Methoxy-2-benzofuran-1(3H)-one","Acta Crystallographica Section E","2012","68","12","o3288","","10.1107/S1600536812044789","","","0.71073","MoKα","","0.0726","0.0494","","","","0.1469","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237099","7.4489","0.0004","11.106","0.0006","14.7935","0.0007","93.559","0.004","99.813","0.004","107.789","0.005","1139.74","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","N-(1,3-Thiazol-2-yl)-N'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate","","- C9 H8 N3 O1.5 S3 -","- C9 H8 N3 O1.5 S3 -","- C36 H32 N12 O6 S12 -","4","2","ZS2240","Singh, Durga Prasad; Pratap, Seema; Yildirim, Sema Öztürk; Butcher, Ray J.","N-(1,3-Thiazol-2-yl)-N'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate","Acta Crystallographica Section E","2012","68","12","o3295","","10.1107/S160053681204500X","","","1.54184","CuKα","","0.0468","0.0392","","","0.103","0.1102","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237100","9.2352","0.0005","9.9907","0.0005","14.0805","0.0007","109.119","0.003","96.342","0.003","107.224","0.003","1141.05","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(2-anilino-2-oxoethyl)-1H-imidazol-3-ium chloride dimethylformamide monosolvate","","- C22 H26 Cl N5 O3 -","- C22 H26 Cl N5 O3 -","- C44 H52 Cl2 N10 O6 -","2","1","ZS2241","Lee, Hon Man; Zeng, Jing-Yao","1,3-Bis(2-anilino-2-oxoethyl)-1H-imidazol-3-ium chloride dimethylformamide monosolvate","Acta Crystallographica Section E","2012","68","12","o3286","","10.1107/S1600536812045059","","","0.71073","MoKα","","0.0403","0.0334","","","0.0867","0.0906","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237101","7.7944","0.0002","8.5884","0.0004","14.7877","0.0004","90","","107.838","0.001","90","","942.32","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-dibromo-2,4-dimethoxybenzene","1,5-Dibromo-2,4-dimethoxybenzene","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C32 H32 Br8 O8 -","4","1","ZS2243","Vijesh, A. M.; Isloor, Arun M.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","1,5-Dibromo-2,4-dimethoxybenzene","Acta Crystallographica Section E","2012","68","12","o3479","","10.1107/S1600536812047848","","","0.71073","MoKα","","0.0263","0.0214","","","0.0472","0.0489","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237102","4.371","0.001","10.535","0.004","15.193","0.002","85.218","0.003","83.688","0.002","81.893","0.001","686.8","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","4-hydroxycoumarin 4-methoxybenzoate ester","2-Oxo-2H-chromen-4-yl 4-methoxybenzoate","","- C17 H12 O5 -","- C17 H12 O5 -","- C34 H24 O10 -","2","1","ZS2245","Abou, Akoun; Djandé, Abdoulaye; Danger, Grégoire; Saba, Adama; Kakou-Yao, Rita","2-Oxo-2H-chromen-4-yl 4-methoxybenzoate","Acta Crystallographica Section E","2012","68","12","o3438","o3439","10.1107/S1600536812047666","","","0.71073","MoKα","","0.1347","0.0658","","","0.1304","0.1629","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"9014116","11.0563","","7.56","","5.3637","","90","","90","","90","","448.328","","","","","","","","","","","","Upper Fir carbonatite, Kamloops mining division, British Columbia, Canada","14","P n m a","-P 2ac 2n","62","","","Nioboaeschynite-(Ce)","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 -","- Ca Ce1.392 Fe0.12 Gd0.04 La0.48 Nb4.56 Nd0.56 O24 Pr0.16 Sm0.08 Sr0.04 Th0.24 Ti3.44 Y0.08 -","4","0.5","","Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D.","Nioboaeschynite-(Ce), Ce(NbTi)O6","Acta Crystallographica, Section E","2012","68","8","i64","i65","10.1107/S1600536812031765","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""