# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:39:47+01:00
# 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 'IUCrData') AND volume = 4 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
"1550458","11.7085","0.0003","16.9319","0.0003","15.2399","0.0004","90","","105.324","0.0019","90","","2913.85","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","","- C25 H24 Cl4 N2 P2 Pd -","- C25 H24 Cl4 N2 P2 Pd -","- C100 H96 Cl16 N8 P8 Pd4 -","4","1","SJ4198","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","1","x181803","","10.1107/S2414314618018035","","","0.71073","MoKα","","0.0277","0.0222","","","0.0559","0.0569","","","","","","1","","","","has coordinates,has Fobs","213469","2020-10-21","18:00:00",""
"1550459","5.7323","0.0003","9.2537","0.0005","21.6899","0.0012","90","","91.168","0.005","90","","1150.3","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C12 H14 Cl N O3 -","- C12 H14 Cl N O3 -","- C48 H56 Cl4 N4 O12 -","4","1","SJ4197","Rodriguez-Vega, Gibran; Aguirre, Gerardo; Chávez, Daniel","Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate","IUCrData","2019","4","1","x190016","","10.1107/S2414314619000166","","x-ray","0.71073","MoKα","","0.0515","0.0438","","","0.0972","0.1012","","","","","","1.092","","","","has coordinates,has Fobs","213010","2020-10-21","18:00:00",""
"1550460","12.241","0.0004","5.9386","0.0002","25.2112","0.0009","90","","90.317","0.003","90","","1832.69","0.11","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","","","- C20 H21 N5 O -","- C20 H21 N5 O -","- C80 H84 N20 O4 -","4","1","HB4279","Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid","2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol","IUCrData","2019","4","1","x190036","","10.1107/S2414314619000361","","","1.54184","CuKα","","0.0931","0.0842","","","0.234","0.2445","","","","","","1.079","","","","has coordinates,has Fobs","213011","2020-10-21","18:00:00",""
"1550461","9.0801","0.0004","15.4598","0.0007","10.092","0.0004","90","","109.453","0.001","90","","1335.81","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","HB4275","Pineda, Leslie W.; Amey, Adam; Cabezas, Jorge A.","5,5-Diphenyl-<i>cis</i>-penta-2,4-dienoic acid","IUCrData","2019","4","1","x181799","","10.1107/S2414314618017996","","","0.71073","MoKα","","0.0625","0.0453","","","0.0943","0.101","","","","","","1.05","","","","has coordinates,has Fobs","213012","2020-10-21","18:00:00",""
"1550462","13.702","0.003","11.349","0.002","28.538","0.006","90","","92.999","0.005","90","","4431.7","1.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Cl2 N4 O7 -","- C52 H50 Cl2 N4 O7 -","- C208 H200 Cl8 N16 O28 -","4","1","","Lee, Jae Myoung; Kim, Sung Baek; Sim, Wonbo; Lee, Jai Young","25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-[3-(4-tricyanoethylene)phenyl]-3-aza-pentane-1,5-dioxy)calix[4]arene dichloromethane monosolvate","IUCrData","2019","4","1","x190026","","10.1107/S2414314619000269","","","0.71073","MoKα","","0.1665","0.0613","","","0.1261","0.1754","","","","","","0.88","","","","has coordinates,has Fobs","213013","2020-10-21","18:00:00",""
"1550481","16.252","0.003","5.3787","0.0009","27.109","0.004","90","","90.551","0.012","90","","2369.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C23 H26 Br Cl N6 -","- C23 H26 Br Cl N6 -","- C92 H104 Br4 Cl4 N24 -","4","1","HB4278","Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric","6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2019","4","1","x190053","","10.1107/S2414314619000531","","","0.71073","MoKα","","0.1309","0.0534","","","0.1008","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","213119","2020-10-21","18:00:00",""
"1550482","12.2257","0.0004","19.3422","0.0008","19.5199","0.0008","88.061","0.002","72.058","0.002","77.104","0.002","4277.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","FeIIITpivPP1-PhyIm2-Triflate","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C95 H90 Cl2 F3 Fe N12 O7 S -","- C190 H180 Cl4 F6 Fe2 N24 O14 S2 -","2","1","PK4022","Li, Jianfeng; Oliver, Allen G.; Scheidt, W. Robert","Bis(1-phenylimidazole)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphinato]iron(III) trifluoromethanesulfonate chlorobenzene disolvate","IUCrData","2019","4","1","x190015","","10.1107/S2414314619000154","","","0.71073","MoKα","","0.08","0.0448","","","0.1032","0.1236","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","213120","2020-10-21","18:00:00",""
"1550483","8.3075","0.0003","10.4488","0.0004","15.563","0.0006","90","","92.202","0.002","90","","1349.92","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium bis(2-methyllactato)borate monohydrate","Poly[aqua[μ~4~-bis(2-methyllactato)borato]rubidium]","","- C8 H14 B O7 Rb -","- C8 H14 B O7 Rb -","- C32 H56 B4 O28 Rb4 -","4","1","WM4095","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Rubidium bis(2-methyllactato)borate monohydrate","IUCrData","2019","4","1","x190039","","10.1107/S2414314619000397","","","0.71073","MoKα","","0.1106","0.0513","","","0.0879","0.1046","","","","","","1.05","","","","has coordinates,has Fobs","213121","2020-10-21","18:00:00",""
"1550484","10.5467","0.0017","11.6469","0.0019","12.942","0.002","108.321","0.003","102.108","0.003","110.887","0.003","1313.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","","- C31 H26 N4 O2 S -","- C31 H26 N4 O2 S -","- C62 H52 N8 O4 S2 -","2","1","BT4080","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Srinivasan, N.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-(<i>p</i>-tolyl)-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]-6'-carboxylate","IUCrData","2019","4","1","x190010","","10.1107/S2414314619000105","","","0.71073","MoKα","","0.0744","0.0612","","","0.1427","0.1513","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","213122","2020-10-21","18:00:00",""
"1550494","8.4638","0.0005","11.1799","0.0007","5.8353","0.0004","90","","90","","90","","552.16","0.06","100","2","100","2","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)","","- As4 Ba H6 O14 -","- As4 Ba H6 O14 -","- As8 Ba2 H12 O28 -","2","0.25","BT4081","Weil, Matthias","The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms","IUCrData","2019","4","1","","","10.1107/S2414314619000750","","","0.71073","MoKα","","0.019","0.0149","","","0.0314","0.0323","","","","","","1.051","","","","has coordinates,has Fobs","213227","2020-10-21","18:00:00",""
"1550518","14.0201","0.0007","17.4488","0.0008","7.8775","0.0003","90","","90","","90","","1927.1","0.15","296","","296","2","","","","","","","Synthetic","4","P n a 21","P 2c -2n","33","","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","","- C27 H17 Cl O -","- C27 H17 Cl O -","- C108 H68 Cl4 O4 -","4","1","","Roy Choudhury, Anuradha; Paul, Satya B.; Choudhury, Sudip","14-(4-Chlorophenyl)-14<i>H</i>-dibenzo[<i>a</i>,<i>j</i>]xanthene","IUCrData","2019","4","1","x181846","","10.1107/S2414314618018461","","","0.71073","MoKα","","0.0589","0.046","","0.0526","0.0518","0.0526","","","","","","0.6074","","","","has coordinates,has Fobs","213290","2020-10-21","18:00:00",""
"1550535","7.2595","0.0008","27.492","0.003","7.963","0.0009","90","","113.072","0.008","90","","1462.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Faizi, Md. Serajul Haque; Lone, Mohammad Nadeem; Dege, Necmi; Iskenderov, Turganbay; Malinkin, Sergey","(<i>Z</i>)-3-Butyl-5-(4-nitrobenzylidene)thiazolidine-2,4-dione","IUCrData","2019","4","1","x190094","","10.1107/S2414314619000944","","","0.71073","MoKα","","0.099","0.0479","","","0.1218","0.1407","","","","","","0.833","","","","has coordinates,has Fobs","213391","2020-10-21","18:00:00",""
"1550536","12.1865","0.0008","7.6666","0.0005","14.1087","0.0009","90","","111.467","0.002","90","","1226.72","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2'-methylenedipyridine)zinc(II)","","- C11 H10 Cl2 N2 Zn -","- C11 H10 Cl2 N2 Zn -","- C44 H40 Cl8 N8 Zn4 -","4","1","SJ4199","Siegfried, Adam; McAbee, Brett; Zotov, Vladimir; McMillen, Colin; Hanks, Timothy","Dichlorido(2,2'-methylenedipyridine)zinc(II)","IUCrData","2019","4","1","x190131","","10.1107/S2414314619001317","","","0.71073","MoKα","","0.0224","0.0208","","","0.0569","0.0579","","","","","","1.056","","","","has coordinates,has Fobs","213392","2020-10-21","18:00:00",""
"1550540","10.087","0.003","7.349","0.002","19.442","0.006","90","","101.276","0.006","90","","1413.4","0.7","220","2","220.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","","- C14 H8 N4 Pt S2 -","- C14 H8 N4 Pt S2 -","- C56 H32 N16 Pt4 S8 -","4","1","","Nesterov, Vladimir N.; Hu, Jiandu; Reinheimer, Eric W.; Smucker, Bradley W.","(2,2'-Bipyridine)(1,2-dicyanoethene-1,2-dithiolato)platinum(II)","IUCrData","2019","4","1","x190158","","10.1107/S2414314619001585","","","0.71073","MoKα","","0.0431","0.0318","","","0.0752","0.0814","","","","","","1.049","","","","has coordinates,has Fobs","213446","2020-10-21","18:00:00",""
"1550541","17.8925","0.0015","7.4168","0.0006","11.5006","0.0009","90","","102.061","0.008","90","","1492.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","","- C17 H11 Cl N4 O2 -","- C17 H11 Cl N4 O2 -","- C68 H44 Cl4 N16 O8 -","4","1","HB4282","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Hayal Alotaibi, Mohammad; Hegazy, Amany S.; Kariuki, Benson M.","5-[5-(4-Chlorophenyl)isoxazol-3-yl]-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine","IUCrData","2019","4","1","x190136","","10.1107/S2414314619001366","","","0.71073","MoKα","","0.0734","0.0453","","","0.0966","0.1116","","","","","","1.059","","","","has coordinates,has Fobs","213447","2020-10-21","18:00:00",""
"1550542","16.8696","0.0012","7.5226","0.0006","9.054","0.0006","90","","90","","90","","1148.98","0.14","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","","- C10 H12 N2 Pt S2 -","- C10 H12 N2 Pt S2 -","- C40 H48 N8 Pt4 S8 -","4","0.5","TK4054","Ha, Kwang","[(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)","IUCrData","2019","4","1","x190162","","10.1107/S2414314619001627","","","0.71073","MoKα","","0.0202","0.0187","","","0.0437","0.0445","","","","","","1.105","","","","has coordinates,has Fobs","213448","2020-10-21","18:00:00",""
"1550543","7.185","0.0006","7.8479","0.0007","8.9932","0.0008","68.572","0.001","88.393","0.002","74.975","0.001","454.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","WM5482","Dhatchaiyini, M. K.; NizamMohideen, M.; Rajasekar, G.; Bhaskaran, A.","Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate","IUCrData","2019","4","1","x190128","","10.1107/S2414314619001287","","","1.54178","CuKα","","0.0307","0.0287","","","0.0715","0.0729","","","","","","1.079","","","","has coordinates,has Fobs","213449","2020-10-21","18:00:00",""
"1550567","7.7143","0.0005","28.907","0.002","7.501","0.0005","90","","90","","90","","1672.7","0.19","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH4043","Lee, Ji Hye; Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one","IUCrData","2019","4","2","x190179","","10.1107/S2414314619001792","","","0.71073","MoKα","","0.0966","0.0446","","","0.0772","0.1052","","","","","","0.946","","","","has coordinates,has Fobs","213514","2020-10-21","18:00:00",""
"1550568","9.959","0.002","10.49","0.002","23.62","0.005","90","","90","","90","","2467.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","","Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2019","4","2","x190134","","10.1107/S2414314619001342","","","0.71073","MoKα","","0.1395","0.0573","","","0.0791","0.0999","","","","","","0.954","","","","has coordinates,has Fobs","213515","2020-10-21","18:00:00",""
"1550583","12.3919","0.0007","10.7917","0.0006","19.9794","0.0012","90","","103.138","0.002","90","","2601.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Potassium bis(2-methyllactato)borate hemihydrate","Poly[aquabis[μ~3~-bis(2-methyllactato)borato]dipotassium] [K(C~8~H~12~BO~6~)(H~2~O)~0.5~]","","- C8 H13 B K O6.5 -","- C8 H13 B K O6.5 -","- C64 H104 B8 K8 O52 -","8","1","WM4100","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Potassium bis(2-methyllactato)borate hemihydrate","IUCrData","2019","4","2","x190202","","10.1107/S2414314619002025","","","0.71073","MoKα","","0.0705","0.0493","","","0.1081","0.1192","","","","","","1.161","","","","has coordinates,has Fobs","213583","2020-10-21","18:00:00",""
"1550584","10.6258","0.0005","10.2217","0.0005","18.0993","0.0008","90","","90.798","0.002","90","","1965.64","0.16","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","ZQ4034","Lee, Ji Hye; Koh, Dongsoo","Diethyl 4-(1<i>H</i>-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","2","x190193","","10.1107/S2414314619001937","","","0.71073","MoKα","","0.1074","0.0634","","","0.1689","0.1983","","","","","","1.025","","","","has coordinates,has Fobs","213584","2020-10-21","18:00:00",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","213622","2020-10-21","18:00:00",""
"1550588","5.2879","0.0003","26.3742","0.001","15.7872","0.0007","90","","98.293","0.004","90","","2178.73","0.18","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","","- C23 H17 Cl F N5 O S -","- C23 H17 Cl F N5 O S -","- C92 H68 Cl4 F4 N20 O4 S4 -","4","1","HB4284","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole","IUCrData","2019","4","2","x190211","","10.1107/S2414314619002116","","","0.71073","MoKα","","0.0621","0.0424","","","0.0996","0.113","","","","","","1.035","","","","has coordinates,has Fobs","213623","2020-10-21","18:00:00",""
"1550628","9.7894","0.0007","10.983","0.0006","17.2596","0.0008","93.49","0.004","95.702","0.005","107.729","0.006","1750.67","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C20 H17 N5 O -","- C20 H17 N5 O -","- C80 H68 N20 O4 -","4","2","HB4285","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2019","4","2","x190217","","10.1107/S2414314619002177","","","0.71073","MoKα","","0.1244","0.0647","","","0.1441","0.1862","","","","","","1.018","","","","has coordinates,has Fobs","213724","2020-10-21","18:00:00",""
"1550645","12.2574","0.001","7.6912","0.0008","22.821","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C22 H21 F N8 O -","- C22 H21 F N8 O -","- C88 H84 F4 N32 O4 -","4","1","ZQ4035","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","1-(4-Fluorophenyl)-5-methyl-<i>N</i>'-{1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethylidene}-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2019","4","2","x190261","","10.1107/S241431461900261X","","","0.71073","MoKα","","0.1054","0.0615","","","0.1527","0.1782","","","","","","1.078","","","","has coordinates,has Fobs","213812","2020-10-21","18:00:00",""
"1550646","11.6975","0.0006","11.0671","0.0005","16.5395","0.001","90","","100.303","0.006","90","","2106.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","","- C25 H17 Cl F N3 S -","- C25 H17 Cl F N3 S -","- C100 H68 Cl4 F4 N12 S4 -","4","1","LH4044","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-8<i>H</i>-indeno[1,2-<i>d</i>]thiazole","IUCrData","2019","4","2","x190218","","10.1107/S2414314619002189","","","0.71073","MoKα","","0.0839","0.0484","","","0.1076","0.1288","","","","","","1.033","","","","has coordinates,has Fobs","213813","2020-10-21","18:00:00",""
"1550647","6.493","0.0007","13.8065","0.001","27.539","0.002","90","","90","","90","","2468.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","HB4287","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","IUCrData","2019","4","2","x190240","","10.1107/S2414314619002402","","","0.71073","MoKα","","0.0975","0.054","","","0.1072","0.1296","","","","","","1.018","","","","has coordinates,has Fobs","213814","2020-10-21","18:00:00",""
"1550648","10.432","0.002","11.297","0.002","12.688","0.002","90","","90","","90","","1495.3","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","EB4001","Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro","(<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2019","4","2","x190220","","10.1107/S2414314619002207","","","0.71073","MoKα","","0.0731","0.0713","","","0.1716","0.1732","","","","","","1.076","","","","has coordinates,has Fobs","213815","2020-10-21","18:00:00",""
"1550649","7.7981","0.001","7.2249","0.0008","8.9956","0.0011","90","","110.38","0.014","90","","475.09","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride]","","- C6 H15 Cl N Na O3 -","- C6 H15 Cl N Na O3 -","- C12 H30 Cl2 N2 Na2 O6 -","2","1","WM4096","Krabbe, Christina; Gock, Vinusuya; Lutter, Michael; Jurkschat, Klaus","The sodium chloride complex <i>catena</i>-poly[[{μ~3~-2-[bis(2-hydroxyethyl)amino]ethan-1-ol}sodium] chloride], N(CH~2~CH~2~OH)~3~·NaCl","IUCrData","2019","4","2","x190238","","10.1107/S2414314619002384","","x-ray","0.71073","MoKα","","0.0532","0.0315","","","0.0412","0.0433","","","","","","0.703","","","","has coordinates,has Fobs","213816","2020-10-21","18:00:00",""
"1550687","6.508","0.004","10.524","0.006","16.047","0.01","90","","90.507","0.01","90","","1099","1.1","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Iodophenyl)pentanedinitrile","","- C11 H9 I N2 -","- C11 H9 I N2 -","- C44 H36 I4 N8 -","4","1","PK4025","Nanpo, Yuuki; Okuno, Tsunehisa","3-(4-Iodophenyl)pentanedinitrile","IUCrData","2019","4","2","x190282","","10.1107/S2414314619002827","","","0.71075","MoKα","","0.0855","0.0684","","","0.0896","0.0951","","","","","","1.207","","","","has coordinates","213919","2020-10-21","18:00:00",""
"1550688","9.871","0.004","10.973","0.005","18.067","0.007","90","","91.908","0.014","90","","1955.8","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","GG4002","Kihle, Jan Braly; Görbitz, Carl Henrik","Butyl 3-(3,5-di-<i>tert</i>-butyl-4-hydroxyphenyl)propanoate","IUCrData","2019","4","2","x190289","","10.1107/S241431461900289X","","","0.71073","MoKα","","0.0529","0.0407","","","0.1046","0.1111","","","","","","1.029","","","","has coordinates,has Fobs","213920","2020-10-21","18:00:00",""
"1550753","8.1712","0.0006","9.5435","0.0008","11.9771","0.001","104.231","0.004","99.49","0.004","100.705","0.004","867.57","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","","- C10 H24 Cl3 Co F N5 O -","- C9.999 H23.998 Cl3 Co F N5 O -","- C19.998 H47.996 Cl6 Co2 F2 N10 O2 -","2","1","WM4097","SubbiahPandi, A.; AaminaNaaz, Y.; Mahalakshmi, C. Maharaja; Anbalagan, K.","Chloridobis(ethane-1,2-diamine)(4-fluoroaniline)cobalt(III) dichloride monohydrate","IUCrData","2019","4","3","x190327","","10.1107/S2414314619003274","","","0.71073","MoKα","","0.0215","0.0193","","","0.0552","0.0578","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","214148","2020-10-21","18:00:00",""
"1550772","6.6631","0.0006","15.2297","0.0017","22.431","0.003","90","","96.39","0.009","90","","2262.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","","- C26 H17 Cl F N3 O S -","- C26 H17 Cl F N3 O S -","- C104 H68 Cl4 F4 N12 O4 S4 -","4","1","HB4289","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazole","IUCrData","2019","4","3","x190359","","10.1107/S2414314619003596","","","0.71073","MoKα","","0.1247","0.0603","","","0.1345","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","214251","2020-10-21","18:00:00",""
"1550832","5.033","0.005","11.682","0.01","15.433","0.015","96.228","0.019","91.207","0.014","94.27","0.02","899.1","1.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","SJ4201","Ozaki, Koji; Okuno, Tsunehisa","A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide","IUCrData","2019","4","4","","","10.1107/S2414314619003717","","","0.71075","MoKα","","0.086","0.0582","","","0.1195","0.1356","","","","","","1.051","","","","has coordinates,has Fobs","214472","2020-10-21","18:00:00",""
"1550833","8.0664","0.0004","10.0476","0.0005","12.5229","0.0005","79.554","0.004","81.137","0.004","70.517","0.005","936.17","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","SU4171","Hebishy, Ali M.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.","3-Ethoxy-5-phenyl-1<i>H</i>-1,2,4-triazole","IUCrData","2019","4","4","x190378","","10.1107/S241431461900378X","","","1.54184","CuKα","","0.0406","0.0344","","","0.0849","0.0902","","","","","","1.049","","","","has coordinates,has Fobs","214473","2020-10-21","18:00:00",""
"1550843","30.3184","0.0013","11.0972","0.0005","8.0354","0.0003","90","","93.127","0.005","90","","2699.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","1","HB4290","Anitha, L.; Saritha, S. R.; Layana, S. R.; Sithambaresan, M.; Sudarsanakumar, M. R.","4-Methyl-2-phenylpent-2-enal thiosemicarbazone","IUCrData","2019","4","4","x190436","","10.1107/S241431461900436X","","","0.71073","MoKα","","0.0813","0.052","","","0.1202","0.1351","","","","","","1.064","","","","has coordinates,has Fobs","214504","2020-10-21","18:00:00",""
"1550844","12.8109","0.0013","19.708","0.002","11.4152","0.0012","90","","108.649","0.001","90","","2730.8","0.5","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","","- C24 H18 N4 -","- C24 H18 N4 -","- C144 H108 N24 -","6","3","HB4273","Cheng, Xingwang; Du, Yanan; Guo, Hui; Chen, Zhiyuan; Tian, Yupeng","4-[4-(Azidomethyl)phenyl]-2,6-diphenylpyridine","IUCrData","2019","4","4","x190295","","10.1107/S2414314619002955","","","0.71073","MoKα","","0.0545","0.0431","","","0.0982","0.1046","","","","","","1.054","","","","has coordinates,has Fobs","214505","2020-10-21","18:00:00",""
"1550845","16.8114","0.0006","16.8114","0.0006","17.8288","0.0006","90","","90","","90","","5038.8","0.3","153","1","153","1","","","","","","","","4","I 41/a","-I 4ad","88","","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","","- C20 H34 N6 S2 -","- C20 H34 N6 S2 -","- C160 H272 N48 S16 -","8","","TK4057","Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain","2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine","IUCrData","2019","4","4","x190441","","10.1107/S2414314619004413","","x-ray","0.56083","AgKα","","0.0622","0.0476","","","0.1299","0.1379","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","214506","2020-10-21","18:00:00",""
"1550846","5.9435","0.0003","22.7785","0.0007","15.091","0.0009","90","","124.087","0.008","90","","1692.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BH4045","Crundwell, Guy; Crundwell, Hugh Ian","(<i>E</i>)-<i>N</i>-(3,4-Dimethylphenyl)-1-[5-(phenylethynyl)thiophen-2-yl]methanimine","IUCrData","2019","4","4","x190363","","10.1107/S2414314619003638","","x-ray","0.71073","MoKα","","0.0809","0.0461","","","0.1134","0.1311","","","","","","1.028","","","","has coordinates,has Fobs","214507","2020-10-21","18:00:00",""
"1550879","10.3403","0.0003","10.3926","0.0003","14.1442","0.0003","78.9928","0.0014","83.6739","0.0015","60.2736","0.0011","1295.45","0.06","300","1","300","1","","","","","","","","4","P -1","-P 1","2","","2-[(<i>tert</i>-Butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","","- C30 H30 O2 Si -","- C30 H30 O2 Si -","- C60 H60 O4 Si2 -","2","1","LH4045","Di Grandi, Martin J.; Taylor, Brett; Corfield, Peter W. R.","The crystal structure of 2-[(<i>tert</i>-butyldiphenylsilyl)oxy]-1,2-diphenylethan-1-one","IUCrData","2019","4","4","x190478","","10.1107/S2414314619004784","","","0.7107","MoKα","","0.0513","0.0434","","","0.1174","0.123","","","","","","1.044","","","","has coordinates,has Fobs","214630","2020-10-21","18:00:00",""
"1550880","8.4771","0.0002","16.0726","0.0004","15.7922","0.0003","90","","103.958","0.001","90","","2088.14","0.08","180","2","180","2","","","","","","","","5","P 1 c 1","P -2yc","7","","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","2","SJ4202","Wang, Ruiyao; Aquino, Manuel A.S.","1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate","IUCrData","2019","4","4","x190494","","10.1107/S2414314619004942","","","0.71073","MoKα","","0.0473","0.0378","","","0.0918","0.0987","","","","","","1.037","","","","has coordinates,has Fobs","214631","2020-10-21","18:00:00",""
"1550896","6.4849","0.0003","14.7539","0.0007","8.3224","0.0004","90","","97.295","0.0013","90","","789.82","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,3-diammonium molybdate","","- C3 H12 Mo N2 O4 -","- C3 H12 Mo N2 O4 -","- C12 H48 Mo4 N8 O16 -","4","1","WM4103","Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Propane-1,3-diammonium molybdate","IUCrData","2019","4","4","","","10.1107/S2414314619005005","","x-ray","0.71073","MoKα","","0.0164","0.016","","","0.0403","0.0405","","","","","","1.111","","","","has coordinates,has Fobs","214654","2020-10-21","18:00:00",""
"1550914","11.5029","0.0003","31.8022","0.0009","10.8445","0.0003","90","","113.84","0.002","90","","3628.63","0.18","250","1","250","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","","- C37 H35 Gd O15 -","- C37 H35 Gd O15 -","- C148 H140 Gd4 O60 -","4","1","IM4004","Gasque, Laura; Guzmán-Méndez, Óscar; Bernès, Sylvain","Aquatris[1-(2,4-dioxo-2<i>H</i>-1-benzopyran-3-ylidene)ethan-1-olato]ethanolgadolinium(III) ethanol monosolvate","IUCrData","2019","4","4","x190493","","10.1107/S2414314619004930","","x-ray","0.56083","AgKα","","0.0534","0.0337","","","0.0723","0.0784","","","","","","1.013","","","","has coordinates,has Fobs","214706","2020-10-21","18:00:00",""
"1550945","24.2914","0.0017","14.3317","0.001","7.5014","0.0005","90","","90","","90","","2611.5","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","","","- C34 H24 Br2 Fe -","- C34 H24 Br2 Fe -","- C136 H96 Br8 Fe4 -","4","1","HB4292","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","1,1'-Bis(4-bromophenyl)-3,3'-diphenylferrocene","IUCrData","2019","4","4","x190487","","10.1107/S2414314619004875","","","0.71073","MoKα","","0.0637","0.0461","","","0.0954","0.1033","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","214796","2020-10-21","18:00:00",""
"1550946","10.8596","0.001","15.1262","0.001","7.904","0.0003","90","","103.749","0.01","90","","1261.14","0.16","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dichloro-3',4'-dimethoxybiphenyl","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C56 H48 Cl8 O8 -","4","1","SJ4203","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3,5-Dichloro-3',4'-dimethoxybiphenyl","IUCrData","2019","4","4","x190518","","10.1107/S2414314619005182","","","0.71073","MoKα","","0.0376","0.0298","","","0.0694","0.0721","","","","","","1.09","","","","has coordinates,has Fobs","214797","2020-10-21","18:00:00",""
"1550962","11.0914","0.0004","13.6412","0.0004","11.9739","0.0004","90","","113.863","0.004","90","","1656.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","NK4001","Forsyth, Craig M.; Nazarian, Zohreh","(<i>R</i>,<i>R</i>/<i>S</i>,<i>S</i>)-9-Benzyl-3-methyl-7-phenyl-1,6-dioxa-3,9-diazaspiro[4.4]nonane-2,8-dione","IUCrData","2019","4","4","x190520","","10.1107/S2414314619005200","","","1.54184","CuKα","","0.0379","0.0348","","","0.0859","0.0882","","","","","","1.053","","","","has coordinates,has Fobs","214882","2020-10-21","18:00:00",""
"1550970","10.1398","0.0005","10.8359","0.0006","11.2588","0.0005","90","","115.687","0.003","90","","1114.8","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ~4~-bis(2-methyllactato)borato]sodium]","","- C8 H12 B Na O6 -","- C8 H12 B Na O6 -","- C32 H48 B4 Na4 O24 -","4","1","WM4104","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Sodium bis(2-methyllactato)borate","IUCrData","2019","4","5","","","10.1107/S2414314619005935","","","0.71073","MoKα","","0.0534","0.0349","","","0.0828","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","214942","2020-10-21","18:00:00",""
"1551017","11.8362","0.0007","11.7958","0.0007","7.8459","0.0005","90","","91.673","0.001","90","","1094.96","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","VM4040","Rbaa, Mohamed; Ramli, Youssef; Lakhrissi, Younes; Mague, Joel; Lakhrissi, Brahim","5-{[(2-Hydroxyethyl)sulfanyl]methyl}quinolin-8-ol","IUCrData","2019","4","5","x190625","","10.1107/S2414314619006254","","","0.71073","MoKα","","0.0331","0.0317","","","0.0912","0.0927","","","","","","1.048","","","","has coordinates,has Fobs","215043","2020-10-21","18:00:00",""
"1551018","11.3335","0.0002","32.6839","0.0009","15.9743","0.0004","90","","105.876","0.001","90","","5691.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>)","","- C29 H18 Cr2 O9 Rh2 -","- C29 H18 Cr2 O9 Rh2 -","- C232 H144 Cr16 O72 Rh16 -","8","2","NR4002","Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre","μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)","IUCrData","2019","4","5","x190573","","10.1107/S241431461900573X","","","0.71073","MoKα","","0.1077","0.0565","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates,has Fobs","215044","2020-10-21","18:00:00",""
"1551019","16.0043","0.0003","7.4649","0.0002","23.5799","0.0005","90","","95.161","0.001","90","","2805.68","0.11","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C12 H11 Cl N2 O6 S -","- C12 H11 Cl N2 O6 S -","- C96 H88 Cl8 N16 O48 S8 -","8","1","IS4031","Manickam, R.; Rajakannan, V.; Prabhaharan, M.; Srinivasan, G.","2-Amino-6-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate","IUCrData","2019","4","5","x190566","","10.1107/S2414314619005662","","","0.71073","MoKα","","0.0297","0.0279","","","0.0777","0.0785","","","","","","1.144","","","","has coordinates,has Fobs","215045","2020-10-21","18:00:00",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","215046","2020-10-21","18:00:00",""
"1551058","7.774","0.0006","8.4772","0.0005","9.6599","0.0007","66.595","0.006","77.917","0.006","76.113","0.006","562.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","HB4291","Ruan, Yao; Zhao, Hui","(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide","IUCrData","2019","4","5","x190607","","10.1107/S2414314619006072","","","0.71073","MoKα","","0.0693","0.0585","","","0.1452","0.1572","","","","","","1.084","","","","has coordinates,has Fobs","215175","2020-10-21","18:00:00",""
"1551059","7.3573","0.0003","11.2345","0.0005","12.9215","0.0005","74.215","0.004","78.085","0.004","85.178","0.004","1005.17","0.08","288.9","0.1","288.9","0.1","","","","","","","","6","P -1","-P 1","2","","Poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","- C28 H32 N2 O32 S4 Zn5 -","1","0.5","TK4056","Yu, Jiamei; Wang, De-Chao; Wang, Bin","Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]","IUCrData","2019","4","5","x190667","","10.1107/S2414314619006679","","","1.54184","CuKα","","0.0518","0.0427","","","0.1151","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","215176","2020-10-21","18:00:00",""
"1551060","6.8542","0.0004","19.9526","0.0011","7.6704","0.0004","90","","95.762","0.003","90","","1043.7","0.1","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-3',4'-dihydroxybiphenyl","4-(2,3-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","SJ4205","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","2,3-Dichloro-3',4'-dihydroxybiphenyl","IUCrData","2019","4","5","x190662","","10.1107/S241431461900662X","","","0.71073","MoKα","","0.0776","0.0456","","","0.0678","0.0741","","","","","","1.048","","","","has coordinates,has Fobs","215177","2020-10-21","18:00:00",""
"1551061","21.1667","0.0008","6.6243","0.0003","11.3247","0.0004","90","","91.509","0.002","90","","1587.34","0.11","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethylammonium hydrogen oxalate‒oxalic acid (2/1)","","- C10 H20 N2 O12 -","- C10 H20 N2 O12 -","- C40 H80 N8 O48 -","4","0.5","BV4024","Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Ethylammonium hydrogen oxalate‒oxalic acid (2/1)","IUCrData","2019","4","5","x190635","","10.1107/S2414314619006357","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0706","0.0747","","","","","","1.029","","","","has coordinates,has Fobs","215178","2020-10-21","18:00:00",""
"1551062","6.944","0.0008","12.1354","0.0016","8.8283","0.0011","90","","98.888","0.011","90","","735.01","0.16","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","","- C5 H8 N2 O S -","- C5 H8 N2 O S -","- C20 H32 N8 O4 S4 -","4","1","SJ4204","Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.","2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one","IUCrData","2019","4","5","x190613","","10.1107/S2414314619006138","","x-ray","0.71073","MoKα","","0.0857","0.0509","","","0.1106","0.1417","","","","","","1.082","","","","has coordinates,has Fobs","215179","2020-10-21","18:00:00",""
"1551069","7.0128","0.0007","7.9882","0.0008","9.0732","0.0009","74.121","0.004","86.734","0.004","79.29","0.004","480.36","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","","- C4 H11 N5 O6 S -","- C4 H11 N5 O6 S -","- C8 H22 N10 O12 S2 -","2","1","RZ4030","Tapmeyer, Lukas; Prill, Dragica","6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate","IUCrData","2019","4","5","x190689","","10.1107/S2414314619006898","","","1.54178","CuKα","","0.0866","0.0797","","","0.2624","0.2812","","","","","","1.399","","","","has coordinates,has Fobs","215251","2020-10-21","18:00:00",""
"1551092","6.9477","0.0004","10.8782","0.0007","20.8769","0.0011","89.11","0.003","87.052","0.003","78.876","0.003","1546.13","0.16","150","2","150.39","","","","","","","","","5","P -1","-P 1","2","","Dodecan-1-aminium sulfate trihydrate","","- C24 H62 N2 O7 S -","- C24 H62 N2 O7 S -","- C48 H124 N4 O14 S2 -","2","1","ZQ4036","Liu, Jiapan; Di, Youying; Chen, Fengying","Dodecan-1-aminium sulfate trihydrate","IUCrData","2019","4","5","x190704","","10.1107/S2414314619007041","","","0.71073","MoKα","","0.0753","0.0467","","","0.1106","0.1253","","","","","","1.024","","","","has coordinates,has Fobs","215399","2020-10-21","18:00:00",""
"1551159","8.4487","0.0002","23.7284","0.0005","10.4078","0.0002","90","","104.698","0.001","90","","2018.22","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C24 H26 S2","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","","- C24 H26 S2 -","- C24 H26 S2 -","- C96 H104 S8 -","4","1","HB4295","Garita-Salazar, Bruno; Pineda, Leslie W.","1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene","IUCrData","2019","4","5","x190677","","10.1107/S2414314619006771","","","1.54178","CuKα","","0.035","0.0304","","","0.0741","0.0765","","","","","","1.054","","","","has coordinates,has Fobs","215535","2020-10-21","18:00:00",""
"1551194","8.6061","0.0002","7.582","0.0001","7.7252","0.0002","90","","105.88","0.0011","90","","484.843","0.018","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Barium oxidotellurate(IV) monohydrate","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","HB4298","Weil, Matthias","Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms","IUCrData","2019","4","5","","","10.1107/S2414314619007703","","","0.71069","MoKα","","0.029","0.0199","","","0.0388","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","215655","2020-10-21","18:00:00",""
"1551244","7.0848","0.0008","26.422","0.003","6.2664","0.0007","90","","90","","90","","1173","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(<i>E</i>)-4-Iodo-2-[(phenylimino)methyl]phenol","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","TK4058","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(E)-4-Iodo-2-[(phenylimino)methyl]phenol","IUCrData","2019","4","6","","","10.1107/S2414314619007880","","","0.71073","MoKα","","0.0806","0.0802","","","0.2228","0.2233","","","","","","1.182","","","","has coordinates,has Fobs","215715","2020-10-21","18:00:00",""
"1551354","23.194","0.003","9.825","0.001","16.475","0.002","90","","106.154","0.013","90","","3606.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","","- C32 H44 Co N6 O4 S2 -","- C32 H44 Co N6 O4 S2 -","- C128 H176 Co4 N24 O16 S8 -","4","1","HB4299","Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim","Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)","IUCrData","2019","4","6","x190812","","10.1107/S2414314619008125","","","1.54184","CuKα","","0.1533","0.0943","","","0.223","0.2625","","","","","","1.07","","","","has coordinates,has Fobs","215872","2020-10-21","18:00:00",""
"1551445","14.7115","0.0016","4.9598","0.0006","17.3105","0.0019","90","","112.96","0.002","90","","1163","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-6-chloropyridine‒glutaric acid (1/1)","6-Chloropyridin-2-amine‒pentanedioic acid (1/1)","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","1","IS4033","Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.","2-Amino-6-chloropyridine‒glutaric acid (1/1)","IUCrData","2019","4","6","x190781","","10.1107/S2414314619007818","","","0.71073","MoKα","","0.043","0.0326","","","0.0861","0.0935","","","","","","0.927","","","","has coordinates,has Fobs","216007","2020-10-21","18:00:00",""
"1551865","20.572","0.003","3.9052","0.0005","14.811","0.003","90","","110.95","0.02","90","","1111.2","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyluracil","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","RZ4031","Portalone, Gustavo","6-Methyluracil: a redetermination of polymorph (II)","IUCrData","2019","4","6","x190861","","10.1107/S2414314619008617","","x-ray","0.710689","MoKα","","0.0582","0.0483","","","0.1255","0.1333","","","","","","1.109","","","","has coordinates,has Fobs","216500","2020-10-21","18:00:00",""
"1552081","16.0488","0.0008","11.2984","0.0006","19.648","0.001","90","","112.379","0.004","90","","3294.4","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Iodo(triphenyl)silane","","- C18 H15 I Si -","- C18 H15 I Si -","- C144 H120 I8 Si8 -","8","1","HB4304","Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael","Iodo(triphenyl)silane","IUCrData","2019","4","7","x190959","","10.1107/S2414314619009593","","","0.71073","MoKα","","0.0993","0.0727","","","0.1369","0.1528","","","","","","1.341","","","","has coordinates,has Fobs","216922","2020-10-21","18:00:00",""
"1552082","6.3966","0.0009","11.7504","0.0016","13.3579","0.0019","104.407","0.001","96.978","0.001","93.267","0.001","961.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","Poly[diaqua[μ~4~-2-(carboxylatomethoxy)benzoato][μ~2~-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","","- C18 H16 Cd2 O12 -","- C18 H16 Cd2 O12 -","- C36 H32 Cd4 O24 -","2","1","LH4046","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]","IUCrData","2019","4","7","","","10.1107/S2414314619009532","","","0.71073","MoKα","","0.0274","0.0239","","","0.0546","0.0573","","","","","","1.059","","","","has coordinates,has Fobs","216923","2020-10-21","18:00:00",""
"1552104","7.2599","0.0005","9.4979","0.0007","11.9596","0.0008","106.149","0.002","90.236","0.002","108.939","0.002","745.18","0.09","446","2","446","2","","","","","","","","7","P -1","-P 1","2","","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl F N2 O2 S -","- C14 H14 Cl F N2 O2 S -","- C28 H28 Cl2 F2 N4 O4 S2 -","2","1","HB4301","Shraddha, K. N.; Devika, S.; Begum, Noor Shahina","Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","IUCrData","2019","4","7","x190960","","10.1107/S241431461900960X","","","0.71073","MoKα","","0.0727","0.0543","","","0.1492","0.158","","","","","","1.03","","","","has coordinates,has Fobs","217013","2020-10-21","18:00:00",""
"1552105","7.0809","0.0001","16.7912","0.0003","6.5001","0.0001","90","","90","","90","","772.84","0.02","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Bis(2-methyllactato)borate tetrahydrate","3,3,8,8-Tetramethyl-1,4,6,9-tetraoxa-λ^4^-boraspiro[4.4]nonane-2,7-dione tetrahydrate","","- C8 H20 B O10 -","- C8 H20 B O10 -","- C16 H40 B2 O20 -","2","0.5","","Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(2-methyllactato)borate tetrahydrate","IUCrData","2019","4","7","x190982","","10.1107/S2414314619009829","","","0.71073","MoKα","","0.0383","0.036","","","0.0917","0.0942","","","","","","1.081","","","","has coordinates,has Fobs","217014","2020-10-21","18:00:00",""
"1552106","11.1629","0.0002","8.7778","0.0001","15.3748","0.0003","90","","101.558","0.002","90","","1475.96","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","","- C26 H38 O15 -","- C26 H38 O15 -","- C52 H76 O30 -","2","1","","Bollard, H. E.; Banwell, M. G.; Ward, J. S.","(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate","IUCrData","2019","4","7","x190986","","10.1107/S2414314619009866","","x-ray","1.54184","CuKα","","0.0376","0.0366","","","0.0965","0.0981","","","","","","1.022","","","","has coordinates,has Fobs","217015","2020-10-21","18:00:00",""
"1552113","17.667","0.0004","12.8871","0.0003","11.7476","0.0003","90","","90","","90","","2674.65","0.11","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","","- C22 H26 Br2 Cl2 N4 O Pd -","- C22 H26 Br2 Cl2 N4 O Pd -","- C88 H104 Br8 Cl8 N16 O4 Pd4 -","4","1","RZ4032","Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","7","x190899","","10.1107/S241431461900899X","","x-ray","1.54184","CuKα","","0.0551","0.0486","","","0.1293","0.1379","","","","","","1.031","","","","has coordinates,has Fobs","217103","2020-10-21","18:00:00",""
"1552114","9.384","0.003","11.032","0.004","14.827","0.005","90","","102.609","0.004","90","","1497.9","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","BH4047","McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O.","7-(Biphenyl-4-yl)-6-hydroxyindan-1-one","IUCrData","2019","4","7","x190951","","10.1107/S2414314619009519","","","0.71073","MoKα","","0.132","0.0792","","","0.203","0.2334","","","","","","1.077","","","","has coordinates,has Fobs","217104","2020-10-21","18:00:00",""
"1552117","13.479","0.003","11.213","0.002","22.552","0.005","90","","90","","90","","3408.5","1.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)\ hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane","","- C32 H22 F12 N4 O2 -","- C32 H22 F12 N4 O2 -","- C128 H88 F48 N16 O8 -","4","0.5","HB4306","Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.","(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate","IUCrData","2019","4","7","x191010","","10.1107/S2414314619010101","","","0.7879","synchrotron","","0.1153","0.0792","","","0.1897","0.2152","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","217192","2020-10-21","18:00:00",""
"1552118","5.4399","0.0004","6.3599","0.0004","11.0232","0.0008","96.702","0.001","92.728","0.001","98.599","0.001","373.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","- C12 H6 Cl4 I2 -","1","0.5","ZL4031","Bosch, Eric","1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate","IUCrData","2019","4","7","x190993","","10.1107/S2414314619009933","","","0.71073","MoKα","","0.0134","0.0131","","","0.0315","0.0317","","","","","","1.094","","","","has coordinates,has Fobs","217193","2020-10-21","18:00:00",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","217194","2020-10-21","18:00:00",""
"1552129","12.7307","0.0016","9.0363","0.0012","7.4742","0.0009","90","","100.924","0.004","90","","844.24","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","","- C8 H5 Cl F3 N O -","- C8 H5 Cl F3 N O -","- C32 H20 Cl4 F12 N4 O4 -","4","1","HB4303","Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei","1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one","IUCrData","2019","4","7","x191025","","10.1107/S2414314619010253","","","0.71073","MoKα","","0.0783","0.0432","","","0.093","0.1131","","","","","","1.057","","","","has coordinates,has Fobs","217240","2020-10-21","18:00:00",""
"1552130","9.3993","0.0004","13.7266","0.0005","13.8797","0.0006","90","","93.9017","0.0014","90","","1786.61","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","","- C10 H26 I2 N4 O Pd -","- C10 H26 I2 N4 O Pd -","- C40 H104 I8 N16 O4 Pd4 -","4","1","WM4111","Ha, Kwang","(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate","IUCrData","2019","4","7","x191032","","10.1107/S2414314619010320","","","0.71073","MoKα","","0.0194","0.0174","","","0.0396","0.0406","","","","","","1.116","","","","has coordinates,has Fobs","217241","2020-10-21","18:00:00",""
"1552132","5.767","0.0003","8.1908","0.0003","31.6737","0.0009","90","","90","","90","","1496.15","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","","- C16 H19 N Se -","- C16 H19 N Se -","- C64 H76 N4 Se4 -","4","1","HB4305","Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","IUCrData","2019","4","7","x191029","","10.1107/S2414314619010290","","","1.54178","CuKα","","0.0469","0.0414","","","0.1173","0.1221","","","","","","1.086","","","","has coordinates,has Fobs","217282","2020-10-21","18:00:00",""
"1552133","8.3836","0.0003","8.478","0.0003","13.305","0.0004","97.779","0.003","101.929","0.002","114.967","0.002","811.94","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 Cl2 N2 O2 S -","- C16 H16 Cl2 N2 O2 S -","- C32 H32 Cl4 N4 O4 S2 -","2","1","HB4309","Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael","3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2019","4","7","x191046","","10.1107/S2414314619010460","","","1.54178","CuKα","","0.0519","0.0495","","","0.1345","0.1365","","","","","","1.054","","","","has coordinates,has Fobs","217283","2020-10-21","18:00:00",""
"1552134","9.078","0.002","10.473","0.002","12.236","0.003","65.065","0.006","77.42","0.007","65.229","0.007","956.6","0.4","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","1-(mesityl)-3-(benzyl)imidazole-2-silver(I)acetate","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-\ ylidene]silver(I)}","","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","- C42 H46 Ag2 N4 O4 -","1","0.5","PK4026","Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy","Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}","IUCrData","2019","4","7","x191003","","10.1107/S2414314619010034","","","0.71073","MoKα","","0.0455","0.0346","","","0.0752","0.0798","","","","","","1.051","","","","has coordinates,has Fobs","217329","2020-10-21","18:00:00",""
"1552135","9.7053","0.0006","11.0901","0.0007","12.4156","0.0008","68.0282","0.0016","81.7012","0.0016","86.4672","0.0016","1226.25","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","","- C31 H30 O6 -","- C31 H30 O6 -","- C62 H60 O12 -","2","1","HB4307","Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke","8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine","IUCrData","2019","4","7","x191018","","10.1107/S2414314619010186","","","0.71073","MoKα","","0.0539","0.0454","","","0.1272","0.1375","","","","","","1.052","","","","has coordinates,has Fobs","217330","2020-10-21","18:00:00",""
"1552143","9.6314","0.0011","4.8612","0.0006","17.269","0.002","90","","90","","90","","808.54","0.17","173","2","173.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>poly</i>-[μ~4~(4-(Carboxymethyl)benzoato)zinc(II)]","","- C9 H6 O4 Zn -","- C9 H6 O4 Zn -","- C36 H24 O16 Zn4 -","4","1","LH4047","Jia, Jason; LaDuca, Robert L.","Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]","IUCrData","2019","4","7","x191014","","10.1107/S2414314619010149","","","0.71073","MoKα","","0.02","0.0193","","","0.048","0.0485","","","","","","1.074","","","","has coordinates,has Fobs","217382","2020-10-21","18:00:00",""
"1552164","12.8262","0.0002","22.1075","0.0004","28.9552","0.0005","72.349","0.002","79.8","0.002","89.827","0.001","7689","0.2","150","1","150","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ~2~-4-nitrophenolato)bis(4-nitrophenolato)di-μ~3~-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]","","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C73.5 H57.5 Cl4.5 N4 O14 Sn4 -","- C294 H230 Cl18 N16 O56 Sn16 -","4","2","","Butler, Patrick","Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane","IUCrData","2019","4","8","","","10.1107/S2414314619010678","","x-ray","1.54184","CuKα","","0.0942","0.0691","","","0.1746","0.1967","","","","","","1.042","","","","has coordinates,has Fobs","217454","2020-10-21","18:00:00",""
"1552238","5.7854","0.0007","9.2974","0.0011","12.6443","0.0012","90","","94.217","0.01","90","","678.29","0.13","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","","- C17 H12 Cl Fe N O -","- C17 H12 Cl Fe N O -","- C34 H24 Cl2 Fe2 N2 O2 -","2","1","VM4041","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.","5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole","IUCrData","2019","4","8","x191096","","10.1107/S2414314619010964","","","0.71073","MoKα","","0.0566","0.0467","","","0.1043","0.1142","","","","","","1.077","","","","has coordinates,has Fobs","217556","2020-10-21","18:00:00",""
"1552239","4.576","0.004","15.755","0.013","11.134","0.009","90","","100.45","0.03","90","","789.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","","- C7 H4 N2 O3 S -","- C7 H4 N2 O3 S -","- C28 H16 N8 O12 S4 -","4","1","HB4314","Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen","6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione","IUCrData","2019","4","8","x191119","","10.1107/S2414314619011192","","","0.71073","MoKα","","0.052","0.0401","","","0.1027","0.1101","","","","","","1.033","","","","has coordinates,has Fobs","217557","2020-10-21","18:00:00",""
"1552261","12.7584","0.0008","11.706","0.0007","13.3452","0.0008","90","","92.273","0.002","90","","1991.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(Cycloheptylidene)thiosemicarbazide","","- C8 H15 N3 S -","- C8 H15 N3 S -","- C64 H120 N24 S8 -","8","2","","Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni","1-(Cycloheptylidene)thiosemicarbazide","IUCrData","2019","4","8","x191153","","10.1107/S2414314619011532","","","0.71073","MoKα","","0.0389","0.0333","","","0.0848","0.0914","","","","","","1.055","","","","has coordinates,has Fobs","217681","2020-10-21","18:00:00",""
"1552276","8.2151","0.0005","9.285","0.0005","11.6086","0.0007","108.184","0.004","103.004","0.004","105.089","0.002","765.64","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","BV4022","Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P.","Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate","IUCrData","2019","4","1","x190054","","10.1107/S2414314619000543","","","0.71073","MoKα","","0.1006","0.052","","","0.1313","0.1601","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","274689","2022-04-26","14:29:15",""
"1552281","7.5009","0.0009","7.6819","0.0009","19.387","0.003","99.733","0.011","100.641","0.011","90.523","0.009","1081.1","0.3","193","2","193","2","","","","","","","","2","P -1","-P 1","2","","5,10-Dihydroindeno[2,1-<i>a</i>]indene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","2","BT4085","Detert, Heiner; Schollmeyer, Dieter","5,10-Dihydroindeno[2,1-<i>a</i>]indene","IUCrData","2019","4","8","x191179","","10.1107/S2414314619011799","","","0.71073","MoKα","","0.1351","0.056","","","0.1146","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","217900","2020-10-21","18:00:00",""
"1552297","9.3713","0.0002","14.1059","0.0003","15.7347","0.0004","90","","90","","90","","2079.98","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]","","- C10 H18 Co K N5 O7 S4 -","- C10 H18 Co K N5 O7 S4 -","- C40 H72 Co4 K4 N20 O28 S16 -","4","1","WM4108","Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin","Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O","IUCrData","2019","4","9","x191142","","10.1107/S2414314619011428","","","0.71073","MoKα","","0.061","0.0376","","","0.0539","0.0583","","","","","","0.98","","","","has coordinates,has Fobs","218068","2020-10-21","18:00:00",""
"1552298","14.8549","0.0008","5.1581","0.0003","10.5471","0.0006","90","","105.816","0.002","90","","777.56","0.08","149.98","","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-phenylphosphonato)zinc(II)]","","- C6 H5 O3 P Zn -","- C6 H5 O3 P Zn -","- C24 H20 O12 P4 Zn4 -","4","1","HB4317","Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers","Poly[(μ~4~-phenylphosphonato)zinc(II)]","IUCrData","2019","4","9","x191222","","10.1107/S2414314619012227","","","1.54178","CuKα","","0.0457","0.0449","","","0.1205","0.121","","","","","","1.0378","","","","has coordinates,has disorder","218069","2020-10-21","18:00:00",""
"1552299","6.2198","0.0003","16.9271","0.0008","10.446","0.0005","90","","101.013","0.003","90","","1079.53","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3,5-Dichlorophenyl)benzene-1,2-diol","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","1","LH4050","Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim","3-(3,5-Dichlorophenyl)benzene-1,2-diol","IUCrData","2019","4","9","x191202","","10.1107/S2414314619012021","","","0.71073","MoKα","","0.0463","0.0333","","","0.0703","0.0742","","","","","","1.042","","","","has coordinates,has Fobs","218070","2020-10-21","18:00:00",""
"1552300","7.5318","0.0005","11.0092","0.0006","18.1896","0.0012","85.6","0.005","87.945","0.005","78.702","0.005","1474.34","0.16","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","2","HB4315","Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.","3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol","IUCrData","2019","4","9","x191212","","10.1107/S2414314619012124","","","0.71073","MoKα","","0.0867","0.0459","","","0.11","0.1218","","","","","","0.962","","","","has coordinates,has Fobs","218073","2020-10-21","18:00:00",""
"1552301","9.1797","0.0013","30.203","0.004","11.0131","0.0016","90","","111.056","0.002","90","","2849.6","0.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","","- C34 H35 N O4 -","- C34 H35 N O4 -","- C136 H140 N4 O16 -","4","1","HB4313","Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying","7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine","IUCrData","2019","4","9","x191205","","10.1107/S2414314619012057","","","0.71073","MoKα","","0.0727","0.0507","","","0.1342","0.1498","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","218074","2020-10-21","18:00:00",""
"1552316","17.4314","0.0006","9.1871","0.0003","13.227","0.0004","90","","93.7501","0.0012","90","","2113.69","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(quinolinium) tetrabromidomanganate(II)","","- C18 H16 Br4 Mn N2 -","- C18 H16 Br4 Mn N2 -","- C72 H64 Br16 Mn4 N8 -","4","0.5","SJ4208","Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin","Bis(quinolinium) tetrabromidomanganate(II)","IUCrData","2019","4","9","x191231","","10.1107/S2414314619012318","","","0.71073","MoKα","","0.0186","0.0163","","","0.0397","0.0406","","","","","","1.053","","","","has coordinates,has Fobs","218161","2020-10-21","18:00:00",""
"1552317","10.2673","0.0017","11.885","0.002","12.839","0.002","90.601","0.003","108.694","0.002","108.797","0.002","1393.5","0.4","100","2","100.03","","","","","","","","","4","P -1","-P 1","2","","3-Ethyl-4-methyl-3-pyrrolin-2-one‒3-ethyl-4-methyl-3-pyrroline-2,5-dione (1/1)","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","2","HB4316","Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A.","1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione","IUCrData","2019","4","9","x191209","","10.1107/S2414314619012094","","","0.71073","MoKα","","0.0724","0.0493","","","0.1158","0.129","","","","","","1.023","","","","has coordinates,has Fobs","218162","2020-10-21","18:00:00",""
"1552318","10.238","0.002","19.104","0.004","9.463","0.002","90","","90","","90","","1850.8","0.7","298","","298","","","","","","","","","4","I b a 2","I 2 -2c","45","","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","","- C6 H10 Cd O6 -","- C6 H10 Cd O6 -","- C48 H80 Cd8 O48 -","8","1","WM4107","Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng","Poly[di(μ~2~-2-hydroxypropanoato)cadmium]","IUCrData","2019","4","9","x191255","","10.1107/S2414314619012550","","","0.71073","MoKα","","0.029","0.0253","","","0.0625","0.0646","","","","","","1.054","","","","has coordinates,has Fobs","218163","2020-10-21","18:00:00",""
"1552332","13.2243","0.0001","16.1431","0.0002","24.3966","0.0003","90","","90.958","0.001","90","","5207.49","0.1","122.99","0.1","122.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)caesium] pentacarbonylmolybdate","","- C41 H72 Cs2 Mo N4 O17 -","- C41 H72 Cs2 Mo N4 O17 -","- C164 H288 Cs8 Mo4 N16 O68 -","4","1","WM4112","Kaas, Marina; Korber, Nikolaus","Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~]","IUCrData","2019","4","9","x191244","","10.1107/S2414314619012446","","","0.71073","MoKα","","0.039","0.0297","","","0.0617","0.0654","","","","","","1.073","","","","has coordinates,has Fobs","218290","2020-10-21","18:00:00",""
"1552355","18.1038","0.0011","18.1038","0.0011","18.1038","0.0011","90","","90","","90","","5933.5","0.6","100","2","100","","","","","","","","","5","I m -3","-I 2 2 3","204","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione [+solvent]","5,11-Disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-\ tetraazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-diene-2,8-dione [+solvent]","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C264 H264 N24 O12 S12 -","6","0.125","ZQ4037","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione","IUCrData","2019","4","9","x191268","","10.1107/S2414314619012689","","","0.71073","MoKα","","0.0597","0.049","","","0.1095","0.1221","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","218918","2020-10-21","18:00:00",""
"1552356","14.822","0.0009","5.2416","0.0003","20.8364","0.0013","90","","90","","90","","1618.8","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","HB4318","Sung, Jiha","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one","IUCrData","2019","4","9","x191281","","10.1107/S2414314619012811","","","0.71073","MoKα","","0.0634","0.0366","","","0.0696","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","218919","2020-10-21","18:00:00",""
"1552369","7.8821","0.0002","11.748","0.0003","7.4169","0.0002","90","","113.906","0.001","90","","627.88","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Bromo-2-cyanopyridine","3-Bromopyridine-2-carbonitrile","","- C6 H3 Br N2 -","- C6 H3 Br N2 -","- C24 H12 Br4 N8 -","4","1","","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","3-Bromopyridine-2-carbonitrile","IUCrData","2019","4","10","x191326","","10.1107/S2414314619013269","","","0.71073","MoKα","","0.0169","0.016","","","0.0416","0.0422","","","","","","1.156","","","","has coordinates,has Fobs","225386","2020-10-21","18:00:00",""
"1552370","27.797","0.003","3.975","0.0004","14.4569","0.0015","90","","110.642","0.004","90","","1494.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","SJ4210","El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen","3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)","IUCrData","2019","4","10","x191348","","10.1107/S2414314619013488","","","0.71073","MoKα","","0.0696","0.0504","","","0.1351","0.1482","","","","","","1.033","","","","has coordinates,has Fobs","219090","2020-10-21","18:00:00",""
"1552478","9.5647","0.00006","11.59555","0.00008","15.6161","0.00011","90","","90","","90","","1731.95","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3 <i>Os</i>‒<i>Os</i>)","","- C12 H5 N O10 Os3 -","- C12 H5 N O10 Os3 -","- C48 H20 N4 O40 Os12 -","4","1","WM4114","Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M.","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>)","IUCrData","2019","4","10","x191386","","10.1107/S2414314619013865","","x-ray","1.54184","CuKα","","0.0153","0.0152","","","0.0368","0.0368","","","","","","1.06","","","","has coordinates,has Fobs","225387","2020-10-21","18:00:00",""
"1552479","13.595","0.003","14.337","0.003","10.958","0.002","90","","92.23","0.03","90","","2134.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihydroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","","- C23 H27 Cl N2 O2 -","- C23 H27 Cl N2 O2 -","- C92 H108 Cl4 N8 O8 -","4","1","","Okmanov, R. Ya.; Tukhtaev, D. B.; Saidov, A. Sh.; Tashkhodjaev, B.","1-Isobutyl-8,9-dimethoxy-3-phenyl-5,6-dihidroimidazo[5,1-<i>a</i>]isoquinolin-2-ium chloride","IUCrData","2019","4","10","x191390","","10.1107/S2414314619013907","","x-ray","1.54184","CuKα","","0.0785","0.0495","","","0.1231","0.1422","","","","","","1.012","","","","has coordinates,has Fobs","219514","2020-10-21","18:00:00",""
"1552480","8.7319","0.0004","11.3091","0.0005","16.122","0.0007","69.599","0.003","77.168","0.004","81.042","0.004","1449.57","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","2","SJ4209","Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke","4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile","IUCrData","2019","4","10","x191369","","10.1107/S2414314619013695","","","0.71073","MoKα","","0.0633","0.0379","","","0.0868","0.0914","","","","","","0.848","","","","has coordinates,has Fobs","219515","2020-10-21","18:00:00",""
"1552550","16.6119","0.0005","6.83947","0.00016","22.5749","0.0006","90","","98.255","0.007","90","","2538.31","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","2","IS4037","Pal, Tarun Kumar; Alam, Md Ashraful; Hossain, Md Dulal; Paul, Subrata; Miyatake, Ryuta; Sheikh, Md Chanmiya","2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2019","4","10","x191401","","10.1107/S2414314619014019","","","0.71075","MoKα","","0.0667","0.043","","","0.091","0.0995","","","","","","1.025","","","","has coordinates,has Fobs","221328","2020-10-21","18:00:00",""
"1552551","9.8947","0.0004","10.6554","0.0004","19.0286","0.0008","90","","90","","90","","2006.22","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","HB4321","Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","IUCrData","2019","4","10","x191408","","10.1107/S2414314619014081","","","0.71073","MoKα","","0.0555","0.0421","","","0.0995","0.1068","","","","","","1.035","","","","has coordinates,has Fobs","221330","2020-10-21","18:00:00",""
"1552552","9.5014","0.0015","13.801","0.002","15.834","0.003","66.375","0.004","89.911","0.004","81.735","0.004","1878.9","0.5","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","","- C46 H48 Mg N2 O3 -","- C46 H48 Mg N2 O3 -","- C92 H96 Mg2 N4 O6 -","2","1","WM4115","Al-Masri, Harbi Tomah","Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)","IUCrData","2019","4","10","x191412","","10.1107/S2414314619014123","","","0.71073","MoKα","","0.1618","0.0866","","","0.2172","0.25","","","","","","1.087","","","","has coordinates","221331","2020-10-21","18:00:00",""
"1552756","10.3724","0.0004","11.1647","0.0005","14.1562","0.0005","85.454","0.003","71.125","0.004","74.999","0.004","1498.32","0.11","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","","- C30 H29 F6 O3 P2 -","- C30 H29 F6 O3 P2 -","- C60 H58 F12 O6 P4 -","2","1","BV4025","Traver, Joseph R.; Guillet, Gary L.; Hillesheim, Patrick C.","(4-Carboxybenzyl)triphenylphosphonium hexafluoridophosphate tetrahydrofuran monosolvate","IUCrData","2019","4","11","x191478","","10.1107/S2414314619014780","","","0.71073","MoKα","","0.1374","0.0644","","","0.1604","0.2119","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","223402","2020-10-21","18:00:00",""
"1552757","6.0338","0.0003","12.9814","0.0006","11.489","0.0005","90","","91.185","0.004","90","","899.71","0.07","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(2-nitrobenzyl)piperazine","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","HB4325","Crundwell, Hugh I.; Grimmett, Rhiannon I.; Crundwell, Guy; Westcott, Barry L.","1,4-Bis(2-nitrobenzyl)piperazine","IUCrData","2019","4","11","","","10.1107/S2414314619014688","","x-ray","0.71073","MoKα","","0.0809","0.0559","","","0.1377","0.1532","","","","","","1.031","","","","has coordinates,has Fobs","223403","2020-10-21","18:00:00",""
"1552864","8.3495","0.0008","12.5138","0.0011","18.6631","0.0017","90","","100.902","0.003","90","","1914.8","0.3","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{[2-(4-hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium} but-2-enedioate tetrahydrate","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","FF4032","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","Bis(4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate tetrahydrate","IUCrData","2019","4","11","x191469","","10.1107/S241431461901469X","","","0.71073","MoKα","","0.0694","0.0464","","","0.1123","0.1275","","","","","","1.052","","","","has coordinates,has Fobs","227697","2020-10-21","18:00:00",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","227698","2020-10-21","18:00:00",""
"1552920","9.9461","0.0004","12.151","0.0005","16.8171","0.0007","105.006","0.001","94.22","0.001","104.926","0.001","1875.34","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","2","HB4323","Cabezas, Jorge A.; Fernandez, Cristian Saul Campos","Ethyl 5-[(ethoxycarbonyl)oxy]-5,5-diphenylpent-2-ynoate","IUCrData","2019","4","11","x191526","","10.1107/S2414314619015268","","","0.71073","MoKα","","0.0494","0.0361","","","0.0861","0.0928","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","227947","2020-10-21","18:00:00",""
"1552921","16.3881","0.0012","4.6912","0.0003","22.4928","0.0018","90","","97.512","0.007","90","","1714.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","","- C8 H7 N2 O2.5 S -","- C8 H7 N2 O2.5 S -","- C64 H56 N16 O20 S8 -","8","1","WM4116","Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","IUCrData","2019","4","11","x191532","","10.1107/S2414314619015323","","","1.54184","CuKα","","0.0704","0.0429","","","0.0995","0.1167","","","","","","1.04","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1552938","14.013","0.003","5.4123","0.0011","22.901","0.005","90","","93.157","0.005","90","","1734.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","HB4324","Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha","2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde","IUCrData","2019","4","11","x191525","","10.1107/S2414314619015256","","","0.71073","MoKα","","0.1418","0.0484","","","0.1317","0.1988","","","","","","0.865","","","","has coordinates,has Fobs","231080","2020-10-21","18:00:00",""
"1552939","13.3725","0.0017","13.3725","0.0017","40.84","0.005","90","","90","","120","","6324.7","1.4","200","2","200","2","","","","","","","","7","P 32","P 32","145","","Sodium [2-({2-[(1-carboxylato-2-methyl-2-sulfanidylpropyl)amino]ethyl}amino)-3-methyl-\ 3-sulfanidylbutanoato-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>']indate(III) tetrahydrate","","- C12 H28 In N2 Na O8 S2 -","- C12 H28 In N2 Na O8 S2 -","- C144 H336 In12 N24 Na12 O96 S24 -","12","4","SJ4211","Yoshinari, Nobuto; Konno, Takumi","Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate","IUCrData","2019","4","11","","","10.1107/S2414314619015293","","","0.71075","MoKα","","0.0474","0.0398","","","0.0719","0.076","","","","","","1.041","","","","has coordinates,has Fobs","231081","2020-10-21","18:00:00",""
"1552940","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","","- C69 H50 Cl2 O8 S2 -","- C69 H50 Cl2 O8 S2 -","- C138 H100 Cl4 O16 S4 -","2","1","BT4084","Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G.","5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate","IUCrData","2019","4","11","x191394","","10.1107/S2414314619013944","","","0.71073","MoKα","","0.1194","0.0529","","","0.131","0.1685","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","231082","2020-10-21","18:00:00",""
"1552941","10.139","0.003","11.35","0.003","17.815","0.005","90","","96.773","0.003","90","","2035.8","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","","- C16 H44 D4 Mo8 N4 O30 -","- C16 H44 D4 Mo8 N4 O30 -","- C32 H88 D8 Mo16 N8 O60 -","2","0.5","LH4048","Ermert, David M.; Gembicky, Milan; Rheingold, Arnold L.","[Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate","IUCrData","2019","4","11","","","10.1107/S2414314619015360","","","0.71073","MoKα","","0.044","0.0318","","","0.0695","0.0741","","","","","","1.078","","","","has coordinates,has Fobs","231083","2020-10-21","18:00:00",""
"1556407","7.3633","0.0013","12.0641","0.0016","8.9185","0.0019","90","","103.738","0.013","90","","769.6","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-Nitro-4-(1-propyn-1-yl)benzene","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","0.5","HB4327","Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge","1-Nitro-4-(1-propyn-1-yl)benzene","IUCrData","2019","4","11","x191585","","10.1107/S2414314619015852","","","1.54178","CuKα","","0.0733","0.0569","","","0.1599","0.1785","","","","","","1.13","","","","has coordinates,has Fobs","244834","2020-10-21","18:00:00",""
"1556408","6.2991","0.0005","6.2991","0.0005","11.4659","0.001","90","","90","","90","","454.95","0.06","100","","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Rubidium tetrafluoridobromate(III)","Rubidium tetrafluoridobromate(III)","","- Br F4 Rb -","- Br F4 Rb -","- Br4 F16 Rb4 -","4","0.125","WM4118","Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian","Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data","IUCrData","2019","4","11","","","10.1107/S2414314619015955","","","0.71073","MoKα","","0.0507","0.0203","","","0.0327","0.0378","","","","","","1.064","","","","has coordinates,has Fobs","244835","2020-10-21","18:00:00",""
"1556637","9.0277","0.0006","19.9356","0.0013","9.4811","0.0007","90","","116.169","0.002","90","","1531.43","0.18","173","2","173","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3-Tetraethyl-5-nitroisoindoline","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","RZ4034","Tapmeyer, Lukas; Beske, Maurice; Plackmeyer, Jörn","1,1,3,3-Tetraethyl-5-nitroisoindoline","IUCrData","2019","4","12","x191629","","10.1107/S2414314619016298","","","1.54178","CuKα","","0.052","0.0512","","","0.1336","0.1344","","","","","","1.086","","","","has coordinates,has Fobs","245313","2020-10-21","18:00:00",""
"1556638","9.9355","0.0005","17.025","0.001","9.7743","0.0006","90","","116.107","0.001","90","","1484.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","","- C9 H11 Mn N5 S3 -","- C9 H11 Mn N5 S3 -","- C36 H44 Mn4 N20 S12 -","4","1","RZ4036","Peppel, Tim; Köckerling, Martin","Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]]","IUCrData","2019","4","12","x191659","","10.1107/S2414314619016596","","","0.71073","MoKα","","0.0405","0.0271","","","0.0605","0.0653","","","","","","0.998","","","","has coordinates,has Fobs","245314","2020-10-21","18:00:00",""
"1556639","7.0679","0.0002","9.6856","0.0004","12.151","0.0005","101.56","0.003","93.302","0.003","111.27","0.004","751.66","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","HB4326","Loke, Shiva Krishna; Pagadala, Eswar; Kottalanka, Ravi K.","5,5'-(1-Phenylethane-1,1-diyl)bis(1<i>H</i>-pyrrole-2-carboxaldehyde)","IUCrData","2019","4","12","x191660","","10.1107/S2414314619016602","","","0.71073","MoKα","","0.0642","0.0498","","","0.132","0.1422","","","","","","1.032","","","","has coordinates,has Fobs","245315","2020-10-21","18:00:00",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","245483","2020-10-21","18:00:00",""
"1556734","17.7619","0.0005","12.7435","0.0004","28.2194","0.0008","90","","102.478","0.002","90","","6236.5","0.3","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","","- C31 H24 Br2 Cl2 N2 O -","- C31 H24 Br2 Cl2 N2 O -","- C248 H192 Br16 Cl16 N16 O8 -","8","1","HB4331","Devika, S.; Shraddha, K. N.; Begum, Noor Shahina","2-[4,5-Bis(4-bromophenyl)-1-(4-<i>tert</i>-butylphenyl)-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol","IUCrData","2019","4","12","x191672","","10.1107/S2414314619016729","","","0.71073","MoKα","","0.0707","0.0636","","","0.2299","0.2393","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","245577","2020-10-21","18:00:00",""
"1556895","12.4008","0.0005","13.8892","0.0007","25.2321","0.0011","90","","100.991","0.003","90","","4266.2","0.3","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV)","","- C42 H19 F16 Os P S4 -","- C42 H19 F16 Os P S4 -","- C168 H76 F64 Os4 P4 S16 -","4","1","ZL4036","Zeleny, Paulina; Arroyo, Maribel; Meléndez, Lidia; Bernès, Sylvain","Tetrakis(2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphane-κ<i>P</i>)osmium(IV): a monoclinic polymorph","IUCrData","2019","4","12","x191622","","10.1107/S2414314619016225","","x-ray","0.56083","AgKα","","0.104","0.0446","","","0.0807","0.0917","","","","","","0.795","","","","has coordinates,has Fobs","246423","2020-10-21","18:00:00",""
"1556896","25.1072","0.0005","8.8634","0.0002","21.3401","0.0004","90","","112.444","0.0012","90","","4389.2","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","","- C52 H50 O8 P2 -","- C52 H50 O8 P2 -","- C208 H200 O32 P8 -","4","1","RZ4035","Leidecker, Benedict N.; Kubis, Christoph; Spannenberg, Anke; Franke, Robert; Börner, Armin","6,6'-[(3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxy-1,1'-biphenyl-2,2'-diyl)bis(oxy)]bis(dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine) benzene monosolvate","IUCrData","2019","4","12","x191636","","10.1107/S2414314619016365","","","1.54178","CuKα","","0.0619","0.04","","","0.0946","0.1066","","","","","","1.011","","","","has coordinates,has Fobs","246424","2020-10-21","18:00:00",""
"1556897","13.5979","0.0007","7.3148","0.0003","12.5931","0.0006","90","","112.763","0.005","90","","1155.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","1","HB4328","Alicea-Velázquez, Nilda L.; Crundwell, Guy","(<i>E</i>)-1-(5-Methylthiophen-2-yl)-<i>N</i>-(4-nitrophenyl)methanimine","IUCrData","2019","4","12","x191601","","10.1107/S2414314619016018","","x-ray","0.71073","MoKα","","0.0576","0.0446","","","0.1125","0.1227","","","","","","1.067","","","","has coordinates,has Fobs","246425","2020-10-21","18:00:00",""
"1556898","10.519","0.005","22.059","0.005","11.246","0.005","90","0.005","97.867","0.005","90","0.005","2584.9","1.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C29 H26 Cl N O4 -","- C29 H26 Cl N O4 -","- C116 H104 Cl4 N4 O16 -","4","1","HB4329","Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate","IUCrData","2019","4","12","x191644","","10.1107/S2414314619016444","","","0.71073","MoKα","","0.1133","0.0604","","","0.1619","0.1919","","","","","","1.055","","","","has coordinates,has Fobs","246426","2020-10-21","18:00:00",""
"1556953","13.7822","0.0006","10.7752","0.0004","27.0787","0.0013","90","","99.901","0.004","90","","3961.5","0.3","120","2","120","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","","- C24 H16 Cl4 -","- C24 H16 Cl4 -","- C192 H128 Cl32 -","8","1","BT4083","Detert, Heiner; Schollmeyer, Dieter","5,8,13,13-Tetrachloro-13<i>H</i>-dibenzo[<i>a</i>,<i>i</i>]fluorene cyclohexane hemisolvate","IUCrData","2019","4","2","x190236","","10.1107/S2414314619002360","","","0.71073","MoKα","","0.0481","0.0387","","","0.0953","0.1023","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","274690","2022-04-26","14:34:51",""