# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:19:52+02:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica, Section E') AND volume = 70 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
"2238964","21.61","0.0018","8.3072","0.0007","25.898","0.003","90","","112.379","0.002","90","","4299","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]propan-1-one","","- C25 H20 N2 O5 S -","- C25 H20 N2 O5 S -","- C200 H160 N16 O40 S8 -","8","1","IS5331","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(E)-1-[2-(2-Nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]propan-1-one","Acta Crystallographica Section E","2014","70","2","o148","","10.1107/S1600536814000506","","","0.71073","MoKα","","0.0852","0.0514","","","0.1279","0.1513","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238965","6.4433","0.0004","7.4563","0.0005","10.1989","0.0006","80.005","0.005","81.271","0.005","70.512","0.005","452.58","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Z)-3-amino-4-(2-phenylhydrazono)pyrazol-5(4H)-one","(Z)-3-Amino-4-(2-phenylhydrazinylidene)-1H-pyrazol-5(4H)-one","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C18 H18 N10 O2 -","2","1","ZQ2216","Elgazwy, Abdel-Sattar S. Hamad; Jones, Peter G.","A second polymorph of (Z)-3-amino-4-(2-phenylhydrazinylidene)-1H-pyrazol-5(4H)-one","Acta Crystallographica Section E","2014","70","2","o141","o142","10.1107/S1600536814000427","","","0.71073","MoKα","","0.0399","0.0374","","","0.1046","0.1069","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238966","17.013","0.002","5.9474","0.001","17.542","0.004","90","","117.565","0.007","90","","1573.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","2","o112","o113","10.1107/S1600536813034892","","","0.71073","MoKα","","0.0719","0.0428","","","0.1074","0.128","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238967","9.613","0.008","16.285","0.014","9.639","0.008","90","","101.679","0.009","90","","1478","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane","","- C36 H36 N2 -","- C36 H36 N2 -","- C72 H72 N4 -","2","0.5","","Zhao, Jie; Yuan, Jianchao; Xu, Weibing; Chen, Jingjing; Mu, Yanqiong","2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane","Acta Crystallographica Section E","2014","70","2","o130","","10.1107/S1600536814000440","","","0.71073","MoKα","","0.178","0.1034","","","0.2668","0.3266","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238968","23.714","0.005","11.827","0.002","17.58","0.003","90","","112.87","0.03","90","","4543","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ^4^N]iron(II)","","- C20 H18 Fe N6 S2 -","- C20 H18 Fe N6 S2 -","- C160 H144 Fe8 N48 S16 -","8","1","XU5762","Dai, Jing-Wei; Li, Zhao-Yang; Sato, Osamu","Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ^4^N]iron(II)","Acta Crystallographica Section E","2014","70","2","m35","","10.1107/S1600536813034818","","","0.71073","MoKα","","0.0976","0.0693","","","0.1846","0.2027","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238969","9.7368","0.0002","13.4345","0.0004","18.3933","0.0004","90","","90","","90","","2406.01","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","","- C12 H4 F24 Fe K2 O4 -","- C12 H4 F24 Fe K2 O4 -","- C48 H16 F96 Fe4 K8 O16 -","4","1","","Purdy, Andrew P.; Butcher, Ray J.","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","Acta Crystallographica Section E","2014","70","2","m32","m33","10.1107/S1600536813034946","","","1.54184","CuKα","","0.0795","0.068","","","0.1713","0.1816","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238970","9.261","0.004","16.405","0.007","14.331","0.006","90","","94.671","0.002","90","","2170","1.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-tricyanido-tetracyanidobis[hydrotris(pyrazoylborato)]tetramethanoldiiron(III)iron(II) dimethanol disolvate","","- C30 H44 B2 Fe3 N18 O6 -","- C30 H44 B2 Fe3 N18 O6 -","- C60 H88 B4 Fe6 N36 O12 -","2","0.5","PK2510","Zhang, Kuirun; Sato, Osamu","Di-μ-tricyanido-tetracyanidobis[hydrotris(pyrazoylborato)]tetramethanoldiiron(III)iron(II) dimethanol disolvate","Acta Crystallographica Section E","2014","70","2","m56","","10.1107/S1600536814001019","","","0.7107","MoKα","","0.0691","0.0638","","","0.1632","0.167","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238971","12.0864","0.0002","6.96981","0.00011","23.4898","0.0004","90","","96.5141","0.0017","90","","1966","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Piperonylpiperazinium picrate","4-(2H-1,3-Benzodioxol-5-ylmethyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C18 H19 N5 O9 -","- C18 H19 N5 O9 -","- C72 H76 N20 O36 -","4","1","SJ5385","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium picrate","Acta Crystallographica Section E","2014","70","2","o208","o209","10.1107/S1600536814001524","","","1.5418","CuKα","","0.0481","0.0425","","","0.1153","0.1205","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238972","7.6955","0.0008","16.618","0.002","18.224","0.002","79.206","0.009","87.563","0.009","83.976","0.009","2276.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1H)-one chloroform 0.25-solvate","","- C27.25 H27.25 Cl0.75 F N2 O -","- C27.25 H27.25 Cl0.75 F N2 O -","- C109 H109 Cl3 F4 N8 O4 -","4","2","LR2120","Ullah, Nisar; Stoeckli-Evans, Helen","8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1H)-one chloroform 0.25-solvate","Acta Crystallographica Section E","2014","70","2","o103","o104","10.1107/S160053681303448X","","","0.71073","MoKα","","0.1212","0.0499","","","0.1036","0.1153","","","","","","0.692","","","","has coordinates,has disorder,has Fobs","282214","2023-04-03","16:35:42",""
"2238973","18.2208","0.0007","15.7672","0.0009","11.7034","0.0007","90","","90","","90","","3362.3","0.3","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde","","- C22 H15 N3 O -","- C22 H15 N3 O -","- C176 H120 N24 O8 -","8","1","HG5369","Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.","1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o106","","10.1107/S1600536813034375","","","0.71073","MoKα","","0.0951","0.046","","","0.0999","0.118","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238974","16.4075","0.0002","15.7975","0.0003","27.1065","0.0004","90","","90","","90","","7025.94","0.19","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","","- C33 H56 Br2 N4 Rh2 -","- C33 H56 Br2 N4 Rh2 -","- C264 H448 Br16 N32 Rh16 -","8","1","","Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","Acta Crystallographica Section E","2014","70","2","m71","m72","10.1107/S1600536814001135","","","0.71073","MoKα","","0.0469","0.0333","","","0.0713","0.0776","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238975","7.332","0.004","10.512","0.006","13.517","0.007","79.74","0.03","76.68","0.02","85.47","0.02","996.8","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C40 H44 Cl4 N4 O8 -","2","1","JJ2180","Yao, Zi-Shuo; Sato, Osamu","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)","Acta Crystallographica Section E","2014","70","2","o154","","10.1107/S1600536814000610","","","0.71075","MoKα","","0.0481","0.0365","","","0.0933","0.0966","","","","","","0.914","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238976","22.1032","0.0005","6.9925","0.0002","12.3366","0.0003","90","","94.16","0.003","90","","1901.68","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabis(4-formylbenzoato-κO^1^)nickel(II)]-μ-pyrazine-κ^2^N:N']","","- C20 H18 N2 Ni O8 -","- C20 H18 N2 Ni O8 -","- C80 H72 N8 Ni4 O32 -","4","0.5","SU2690","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","catena-Poly[[diaquabis(4-formylbenzoato-κO^1^)nickel(II)]-μ-pyrazine-κ^2^N:N']","Acta Crystallographica Section E","2014","70","2","m65","m66","10.1107/S160053681400155X","","","0.71073","MoKα","","0.0844","0.0787","","","0.2049","0.2085","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238977","6.4423","0.0003","17.8302","0.0007","11.6843","0.0005","90","","105.474","0.002","90","","1293.5","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrachloridodi-μ~3~-oxido-tetrakis(μ~2~-propan-2-olato-κ^2^O:O)ditin(II)ditin(IV)","","- C12 H28 Cl4 O6 Sn4 -","- C12 H28 Cl4 O6 Sn4 -","- C24 H56 Cl8 O12 Sn8 -","2","0.5","HY2641","Yarushnikov, Oleg; Naumova, Dina; Klishin, Nikolai; Rusanov, Eduard; Brusylovets, Oleksii","Tetrachloridodi-μ~3~-oxido-tetrakis(μ~2~-propan-2-olato-κ^2^O:O)ditin(II)ditin(IV)","Acta Crystallographica Section E","2014","70","2","m45","m46","10.1107/S1600536814000816","","","0.71073","MoKα","","0.0614","0.0379","","","0.0558","0.0611","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238978","18.6364","0.0007","12.1665","0.0004","21.1272","0.0007","90","","91.461","0.002","90","","4788.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9H-carbazole","","- C26 H18 Cl2 N2 O5 S -","- C26 H18 Cl2 N2 O5 S -","- C208 H144 Cl16 N16 O40 S8 -","8","1","RK2420","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9H-carbazole","Acta Crystallographica Section E","2014","70","2","o212","o213","10.1107/S1600536814001342","","","0.71073","MoKα","","0.0525","0.0378","","","0.0997","0.112","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238979","19.687","0.003","6.3064","0.001","20.611","0.003","90","","97.85","0.003","90","","2535","0.7","100","2","100","2","","","","","","","","4","C 1 2/n 1","-C 2yac","15","","5-Imino-3,4-diphenyl-1H-pyrrol-2-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","JJ2181","Bulatov, Evgeny; Chulkova, Tatiana; Haukka, Matti","5-Imino-3,4-diphenyl-1H-pyrrol-2-one","Acta Crystallographica Section E","2014","70","2","o162","","10.1107/S1600536814001032","","","0.71073","MoKα","","0.0972","0.0426","","","0.0815","0.0967","","","","","","0.996","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238980","5.6684","0.0016","8.601","0.003","10.336","0.003","87.72","0.019","85.696","0.017","85.649","0.017","500.8","0.3","296","2","296","2","","","","","","","","5","P 1","P 1","1","enaminone propanoic acid","(S,Z)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","- C17 H20 Cl3 N O6 -","1","1","PK2509","Flores, Alex Fabiani Claro; de Vicenti, Juliano Rosa; Pizzuti, Lucas; Campos, Patrick Teixeira","(S,Z)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate","Acta Crystallographica Section E","2014","70","2","o169","o170","10.1107/S1600536814000154","","","0.71073","MoKα","","0.0525","0.0396","","","0.0966","0.1046","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238981","4.9736","0.0005","23.245","0.002","12.7197","0.0011","90","","100.82","0.004","90","","1444.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-Methylphenylsulfonyl)-3-nitrobenzamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C56 H48 N8 O20 S4 -","4","1","HB7184","Sreenivasa, S.; Nanjundaswamy, M. S.; Sudha, A. G.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","N-(4-Methylphenylsulfonyl)-3-nitrobenzamide","Acta Crystallographica Section E","2014","70","2","o191","","10.1107/S1600536814001317","","","1.54178","CuKα","","0.0449","0.0393","","","0.1105","0.1141","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238982","9.0539","0.0004","11.6668","0.0006","11.8297","0.0019","90","","94.863","0.01","90","","1245.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Carboxynaphthalen-2-yl acetate monohydrate","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","HG5366","Souza, Bruno S.; Bortoluzzi, Adailton J.; Nome, Faruk","1-Carboxynaphthalen-2-yl acetate monohydrate","Acta Crystallographica Section E","2014","70","2","o105","","10.1107/S1600536813034338","","","0.71073","MoKα","","0.1122","0.0449","","","0.1041","0.1248","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238983","7.6816","0.0003","9.6478","0.0004","11.3738","0.0004","75.409","0.002","84.062","0.002","71.684","0.002","774.14","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Iodo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C17 H15 I O2 S -","- C17 H15 I O2 S -","- C34 H30 I2 O4 S2 -","2","1","PK2514","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Iodo-7-methyl-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","2","o178","","10.1107/S1600536814000865","","","0.71073","MoKα","","0.0184","0.0166","","","0.0432","0.0443","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238984","17.6363","0.0014","10.7968","0.0009","13.6308","0.0009","90","","103.26","0.003","90","","2526.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-p-Tolyl-2,3-dihydroquinolin-4(1H)-one","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","LH5684","Chelghoum, Meryem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bahnous, Mebarek; Belfaitah, Ali","2-p-Tolyl-2,3-dihydroquinolin-4(1H)-one","Acta Crystallographica Section E","2014","70","2","o214","o215","10.1107/S1600536814001676","","","0.71073","MoKα","","0.0669","0.0529","","","0.1427","0.1534","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238985","10.5668","0.0011","5.6092","0.0006","8.5141","0.0009","90","","109.79","0.006","90","","474.84","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-(Ethane-1,2-diyl)bis(methanesulfonamide)","","- C4 H12 N2 O4 S2 -","- C4 H12 N2 O4 S2 -","- C8 H24 N4 O8 S4 -","2","0.5","NK2217","Chan, Wesley Ting Kwok; Kung, Ka Yan Karen; Wong, Man-kin","N,N'-(Ethane-1,2-diyl)bis(methanesulfonamide)","Acta Crystallographica Section E","2014","70","2","o152","","10.1107/S1600536814000622","","","0.71073","MoKα","","0.0338","0.0318","","","0.0968","0.0991","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238986","12.2801","0.0016","23.038","0.003","13.7091","0.0016","90","","104.499","0.004","90","","3754.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[bis(pyridin-2-yl)amine-κN^2^](nitrato-κO)silver(I)","","- C40 H36 Ag N13 O3 -","- C40 H36 Ag N13 O3 -","- C160 H144 Ag4 N52 O12 -","4","1","HY2640","Parashchenko, Yuliia; Pavlishchuk, Anna; Bokach, Nadezhda A.; Haukka, Matti","Tetrakis[bis(pyridin-2-yl)amine-κN^2^](nitrato-κO)silver(I)","Acta Crystallographica Section E","2014","70","2","m58","m59","10.1107/S1600536814000907","","","0.71073","MoKα","","0.1291","0.0606","","","0.1259","0.1508","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238987","16.0965","0.0014","4.8453","0.0004","9.5538","0.0009","90","","90","","90","","745.12","0.11","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-Fluoro-4-[(E)-2-nitrovinyl]benzene","","- C8 H6 F N O2 -","- C8 H6 F N O2 -","- C32 H24 F4 N4 O8 -","4","1","HB7182","Sreenivasa, S.; Nanjundaswamy, M. S.; Manojkumar, K. E.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.","1-Fluoro-4-[(E)-2-nitrovinyl]benzene","Acta Crystallographica Section E","2014","70","2","o124","","10.1107/S1600536814000348","","","1.54178","CuKα","","0.0869","0.0781","","","0.192","0.2032","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238988","10.494","0.003","7.417","0.002","13.487","0.004","90","","91.46","0.05","90","","1049.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methylbenzene-1,3-diammonium dinitrate","","- C7 H12 N4 O6 -","- C7 H12 N4 O6 -","- C28 H48 N16 O24 -","4","1","LR2121","Ben Hassen, Dhouha; Rekik, Walid; Naïli, Houcine; Lis, Tadeusz; Grobelny, Roman","2-Methylbenzene-1,3-diammonium dinitrate","Acta Crystallographica Section E","2014","70","2","o204","","10.1107/S1600536814001561","","","0.71073","MoKα","","0.0663","0.0381","","","0.0844","0.0914","","","","","","0.838","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238989","8.1937","0.0005","11.6112","0.0008","12.4346","0.0009","93.886","0.002","93.952","0.003","97.772","0.002","1165.8","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","","- C26 H17 Cl N2 O6 S -","- C26 H17 Cl N2 O6 S -","- C52 H34 Cl2 N4 O12 S2 -","2","1","LD2117","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4-Chloro-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o230","o231","10.1107/S1600536814001809","","","0.71073","MoKα","","0.0654","0.0557","","","0.1422","0.1521","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238990","15.9332","0.0007","7.8915","0.0003","30.4062","0.0014","90","","90","","90","","3823.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","LH5681","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","(E)-3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o190","","10.1107/S1600536814001263","","","0.71073","MoKα","","0.1193","0.0475","","","0.083","0.1016","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238991","5.3059","0.0005","10.6343","0.001","11.9139","0.0011","89.792","0.003","87.392","0.003","83.944","0.003","667.79","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Methoxybenzoyl)benzenesulfonamide","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C28 H26 N2 O8 S2 -","2","1","HB7187","Sreenivasa, S.; Nanjundaswamy, M. S.; Madankumar, S.; Lokanath, N. K.; Suresha, E.; Suchetan, P. A.","N-(4-Methoxybenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o192","","10.1107/S1600536814001330","","","1.54178","CuKα","","0.0689","0.0678","","","0.157","0.1583","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238992","9.0903","0.0008","9.573","0.0008","15.2638","0.0013","74.617","0.001","83.676","0.001","77.091","0.001","1246.49","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaqua{μ~2~-N,N'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I) dinitrate","","- C50 H56 Ag2 N6 O10 P2 -","- C50 H56 Ag2 N6 O10 P2 -","- C50 H56 Ag2 N6 O10 P2 -","1","0.5","LH5679","Nimthong, Ruthairat; Thepsena, Nattakunya; Puetpaiboon, Walailak; Wattanakanjana, Yupa","Diaqua{μ~2~-N,N'-bis[(cyclohexanylidene)amino]oxamide}bis(triphenylphosphane)silver(I) dinitrate","Acta Crystallographica Section E","2014","70","2","m30","m31","10.1107/S1600536813034454","","","0.71073","MoKα","","0.031","0.0282","","","0.0703","0.0722","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238993","5.8934","0.0003","10.6591","0.0006","13.8697","0.0007","90","","90.812","0.001","90","","871.18","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-4-phenyl-1,3-thiazole","","- C9 H6 Br N S -","- C9 H6 Br N S -","- C36 H24 Br4 N4 S4 -","4","1","CV5440","Bunev, Alexander S.; Rudakova, Yana I.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","2-Bromo-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","2","o139","","10.1107/S160053681400066X","","","0.71073","MoKα","","0.0412","0.0286","","","0.0643","0.0675","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238994","5.6414","0.0002","11.1604","0.0004","13.3724","0.0005","73.823","0.002","87.226","0.002","88.566","0.002","807.59","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C30 H32 N8 O6 S2 -","2","1","TK5283","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate","Acta Crystallographica Section E","2014","70","2","o116","","10.1107/S1600536813034697","","","0.71073","MoKα","","0.0537","0.045","","","0.1175","0.124","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238995","7.1021","0.0001","11.2476","0.0002","10.7045","0.0002","90","","102.479","0.001","90","","834.89","0.02","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[2-(Dimethylazaniumyl)ethyl]-1H-1,2,3,4-tetrazole-5-thiolate","","- C5 H11 N5 S -","- C5 H11 N5 S -","- C20 H44 N20 S4 -","4","1","BV2228","Tagore, Sadasivam Sharmila; Krishna, Sivaraman; Gomathi, Sundaramoorthy; Sethuraman, Velusamy","1-[2-(Dimethylazaniumyl)ethyl]-1H-1,2,3,4-tetrazole-5-thiolate","Acta Crystallographica Section E","2014","70","2","o224","","10.1107/S1600536814001573","","","0.71073","MoKα","","0.0465","0.0382","","","0.0887","0.0924","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238996","10.133","0.0011","27.318","0.003","5.5402","0.0006","90","","90","","90","","1533.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","","- C18 H16 O2 S2 -","- C18 H16 O2 S2 -","- C72 H64 O8 S8 -","4","0.5","","Zhao, Sha-Sha; Su, Qiong; Peng, Zhi-Hong; An, De-Lie","2,6-Bis(4-methoxyphenyl)-1,4-dithiine","Acta Crystallographica Section E","2014","70","2","o137","","10.1107/S1600536814000397","","","0.71073","MoKα","","0.0488","0.0378","","","0.0967","0.1015","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238997","19.9622","0.0016","8.0484","0.0006","22.8969","0.0018","90","","90","","90","","3678.7","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C23 H17 F N2 O3 -","- C23 H17 F N2 O3 -","- C184 H136 F8 N16 O24 -","8","2","FJ2658","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.","3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","2","o226","o227","10.1107/S1600536814001743","","","0.71073","MoKα","","0.0603","0.0409","","","0.0764","0.0839","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238998","8.7481","0.0005","10.7677","0.0006","14.4789","0.0008","87.203","0.001","79.389","0.001","73.929","0.001","1288.15","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[1,4-Bis(diphenylphosphanyl)butane-κ^2^P,P']dibromidopalladium(II)","","- C28 H28 Br2 P2 Pd -","- C28 H28 Br2 P2 Pd -","- C56 H56 Br4 P4 Pd2 -","2","1","TK5286","Ha, Kwang; Song, Yo Soon","[1,4-Bis(diphenylphosphanyl)butane-κ^2^P,P']dibromidopalladium(II)","Acta Crystallographica Section E","2014","70","2","m41","","10.1107/S1600536814000774","","","0.71073","MoKα","","0.0652","0.0454","","","0.1009","0.1204","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238999","8.3643","0.0006","8.8308","0.0015","11.6446","0.0012","88.219","0.01","83.649","0.007","79.7","0.007","841","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Diethylammonium dihydrogen orthophosphate","","- C4 H14 N O4 P -","- C4 H14 N O4 P -","- C16 H56 N4 O16 P4 -","4","2","WM2794","Held, Peter","Diethylammonium dihydrogen orthophosphate","Acta Crystallographica Section E","2014","70","2","o129","","10.1107/S1600536814000464","","","0.71073","MoKα","","0.0875","0.0398","","","0.0986","0.1186","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239000","7.924","0.002","14.772","0.004","18.151","0.005","90","","90","","90","","2124.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","","- C18 H21 Cl2 N O3 S2 -","- C18 H21 Cl2 N O3 S2 -","- C72 H84 Cl8 N4 O12 S8 -","4","1","ZS2283","Huang, Haiji; Li, Ya; Chu, Jingming","(R)-N-[(R)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","Acta Crystallographica Section E","2014","70","2","o119","","10.1107/S1600536813034909","","","0.71073","MoKα","","0.0407","0.0376","","","0.085","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239001","11.2858","0.0003","17.5442","0.0004","24.7745","0.0005","90","","92.8922","0.0019","90","","4899.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^O^1^,O^2^)cobalt(III)","","- C63 H45 Co O9 -","- C63 H45 Co O9 -","- C252 H180 Co4 O36 -","4","1","HG5379","Gupta, Abhishek K.; Srivastava, Sanjay; Butcher, Ray J.","Tris(2,6-dibenzoyl-4-methylphenolato-κ^2^O^1^,O^2^)cobalt(III)","Acta Crystallographica Section E","2014","70","2","m67","m68","10.1107/S1600536814001664","","","1.54184","CuKα","","0.0627","0.0553","","","0.144","0.1535","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239002","7.5953","0.0004","11.8232","0.0007","14.7017","0.0008","79.614","0.001","84.824","0.002","73.09","0.001","1241.44","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquadeca-μ~2~-cyanido-κ^20^C:N-hexacyanido-κ^6^C-bis(μ~2~-5-methylpyrimidine-κ^2^N:N')bis(5-methylpyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate]","","- C36 H32 Cu3 N24 O4 W2 -","- C36 H32 Cu3 N24 O4 W2 -","- C36 H32 Cu3 N24 O4 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","Poly[[diaquadeca-μ~2~-cyanido-κ^20^C:N-hexacyanido-κ^6^C-bis(μ~2~-5-methylpyrimidine-κ^2^N:N')bis(5-methylpyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate]","Acta Crystallographica Section E","2014","70","2","m47","m48","10.1107/S1600536814000166","","","0.71075","MoKα","","0.0301","0.0292","","","0.0748","0.0785","","","","","","1.243","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239003","14.5996","0.0006","14.5996","0.0006","9.5718","0.0004","90","","90","","90","","2040.21","0.15","173","2","173","2","","","","","","","","5","I -4 2 m","I -4 2","121","","Tetrakis(dipropylammonium) tetrakis(oxalato-κ^2^O^1^,O^2^)stannate(IV)","","- C32 H66 N4 O17 Sn -","- C32 H66 N4 O17 Sn -","- C64 H132 N8 O34 Sn2 -","2","0.125","WM2795","Gueye, Ndongo; Diop, Libasse; Stoeckli-Evans, Helen","Tetrakis(dipropylammonium) tetrakis(oxalato-κ^2^O^1^,O^2^)stannate(IV) monohydrate: a complex with an eight-coordinate Sn^IV^ atom","Acta Crystallographica Section E","2014","70","2","m49","m50","10.1107/S160053681303496X","","","0.71073","MoKα","","0.021","0.021","","","0.0536","0.0537","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239004","15.511","0.003","8.4745","0.0017","16.882","0.007","90","","97.73","0.03","90","","2198.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Diethylamino-3-{(E)-4-[(E)-2-(pyridin-4-yl)ethenyl]styryl}-2H-chromen-2-one","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","XU5763","Zhou, Li-Ping; Long, Ling-Liang","7-Diethylamino-3-{(E)-4-[(E)-2-(pyridin-4-yl)ethenyl]styryl}-2H-chromen-2-one","Acta Crystallographica Section E","2014","70","2","o176","","10.1107/S1600536814001123","","","0.71073","MoKα","","0.1058","0.0767","","","0.1527","0.1695","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239005","8.9351","0.0011","9.3268","0.001","9.9579","0.0011","73.098","0.008","69.124","0.008","62.148","0.008","677.75","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-[(1H-Benzimidazol-1-yl)methyl]phenol benzene hemisolvate","","- C17 H15 N2 O -","- C17 H15 N2 O -","- C34 H30 N4 O2 -","2","1","SJ5381","Rivera, Augusto; Jiménez-Cruz, Leonardo; Bolte, Michael","2-[(1H-Benzimidazol-1-yl)methyl]phenol benzene hemisolvate","Acta Crystallographica Section E","2014","70","2","o177","","10.1107/S1600536814000841","","","0.71073","MoKα","","0.0451","0.0403","","","0.1053","0.1077","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239006","11.425","0.001","9.679","0.002","15.205","0.003","90","","91.52","0.01","90","","1680.8","0.5","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","μ-Cyanido-κ^2^C:N-dicyanido-κ^2^C-bis(N-ethylethylenediamine-κ^2^N,N')copper(II)copper(I)","","- C11 H24 Cu2 N7 -","- C11 H24 Cu2 N7 -","- C44 H96 Cu8 N28 -","4","0.5","","Corfield, Peter W. R.; Michalski, Joseph F.","μ-Cyanido-κ^2^C:N-dicyanido-κ^2^C-bis(N-ethylethylenediamine-κ^2^N,N')copper(II)copper(I)","Acta Crystallographica Section E","2014","70","2","m76","m77","10.1107/S160053681400172X","","","0.7107","MoKα","","0.0231","0.0199","","","0.0603","0.0616","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239007","9.351","0.001","13.8153","0.0016","10.1514","0.0009","90","","105.295","0.004","90","","1265","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","16-Oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaen-15-one","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","16-Oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaen-15-one","Acta Crystallographica Section E","2014","70","2","o114","","10.1107/S1600536814000026","","","0.71073","MoKα","","0.0686","0.0444","","","0.1146","0.1321","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239008","10.1823","0.0007","8.0932","0.0006","13.8111","0.0012","90","","102.749","0.002","90","","1110.08","0.15","295","2","295","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(E)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]ethanone","","- C24 H17 Br N2 O5 S -","- C24 H17 Br N2 O5 S -","- C48 H34 Br2 N4 O10 S2 -","2","1","HG5374","Kanchanadevi, J.; Anbalagan, G.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(E)-2-Bromo-1-[2-(2-nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]ethanone","Acta Crystallographica Section E","2014","70","2","o149","","10.1107/S1600536814000488","","","0.71073","MoKα","","0.0649","0.0436","","","0.1047","0.1162","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239009","8.6981","0.0006","11.7074","0.0007","12.5612","0.0006","90","","107.626","0.004","90","","1219.08","0.13","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-(1,4-Phenylene)bis(propane-2,2-diyl) bis(benzodithioate)","","- C26 H26 S4 -","- C26 H26 S4 -","- C52 H52 S8 -","2","0.5","KJ2235","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","2,2'-(1,4-Phenylene)bis(propane-2,2-diyl) bis(benzodithioate)","Acta Crystallographica Section E","2014","70","2","o117","","10.1107/S160053681303465X","","","0.71073","MoKα","","0.0428","0.0324","","","0.0846","0.0911","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239010","7.845","0.005","8.365","0.005","13.703","0.005","81.565","0.005","81.944","0.005","76.183","0.005","858.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-bromoanilino)-2',5-dioxo-5H-spiro[furan-2,3'-indoline]-3-carboxylate","","- C19 H13 Br N2 O5 -","- C19 H13 Br N2 O5 -","- C38 H26 Br2 N4 O10 -","2","1","SU2688","Gangadharan, Rajeswari; Kiruthika, Selvarangam E.; Sethusankar, K.; Perumal, P. T.","Methyl 4-(4-bromoanilino)-2',5-dioxo-5H-spiro[furan-2,3'-indoline]-3-carboxylate","Acta Crystallographica Section E","2014","70","2","o210","o211","10.1107/S1600536814001329","","","0.71073","MoKα","","0.0628","0.0338","","","0.0848","0.0952","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239011","9.3443","0.0013","10.2267","0.0015","10.7258","0.0016","64.794","0.004","69.417","0.004","83.699","0.004","867.2","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","trans-Mo(CO)4(PPh3)2","trans-Tetracarbonylbis(triphenylphosphane-κP)molybdenum(0)","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","1","0.5","PJ2007","Waldhart, Greyson W.; Mankad, Neal P.","trans-Tetracarbonylbis(triphenylphosphane-κP)molybdenum(0)","Acta Crystallographica Section E","2014","70","2","m36","","10.1107/S1600536814000300","","","0.71073","MoKα","","0.0238","0.022","","","0.0561","0.0575","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239012","16.0284","0.0011","6.9756","0.0004","12.4127","0.0009","90","","96.043","0.007","90","","1380.12","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(E)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline","","- C15 H10 Cl2 N4 -","- C15 H10 Cl2 N4 -","- C60 H40 Cl8 N16 -","4","1","","Noguiera, Thais C. M.; Pinheiro, Alexandra C.; de Souza, Marcus V. N.; Wardell, James L.; Tiekink, Edward R. T.","2-[(E)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline","Acta Crystallographica Section E","2014","70","2","o125","","10.1107/S1600536814000415","","","0.71073","MoKα","","0.0959","0.0596","","","0.1538","0.219","","","","","","1.204","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239013","7.455","0.001","8.002","0.002","14.105","0.001","91.72","0.01","96.98","0.01","99.19","0.01","823.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate","","- C10 H18 Cl4 Co N2 O2 -","- C10 H18 Cl4 Co N2 O2 -","- C20 H36 Cl8 Co2 N4 O4 -","2","1","","Mghandef, Marwa; Boughzala, Habib","1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate","Acta Crystallographica Section E","2014","70","2","m75","","10.1107/S1600536814001767","","","0.71073","MoKα","","0.0371","0.0371","","","0.1015","0.1015","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239014","17.703","0.002","10.7537","0.0017","13.658","0.002","90","","105.486","0.006","90","","2505.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Chlorophenyl)-2,3-dihydroquinolin-4(1H)-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C120 H96 Cl8 N8 O8 -","8","1","TK5289","Chelghoum, Meryem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bahnous, Mebarek; Belfaitah, Ali","2-(4-Chlorophenyl)-2,3-dihydroquinolin-4(1H)-one","Acta Crystallographica Section E","2014","70","2","o202","o203","10.1107/S1600536814001548","","","0.71073","MoKα","","0.057","0.0449","","","0.1017","0.1073","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239015","8.2261","0.0003","11.6007","0.0005","14.5738","0.0005","90","","90","","90","","1390.76","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,5-dimethylphenyl quinoline-2-carboxylate","2,5-Dimethylphenyl quinoline-2-carboxylate","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","HB7183","Fazal, E.; Kaur, Manpreet; Jasinski, Jerry P.; Nagarajan, S.; Sudha, B. S.","2,5-Dimethylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","2","o147","","10.1107/S160053681400052X","","","1.54184","CuKα","","0.037","0.0353","","","0.0988","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239016","13.0049","0.0003","7.5262","0.0002","13.3616","0.0003","90","","90","","90","","1307.8","0.05","290","1","290","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Potassium niobium tris(disulfide) tantalum thiophosphate","catena-Poly[potassium [tri-μ-disulfido-μ-tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/0.115)]]]","","- K Nb1.77 P S10 Ta0.23 -","- K Nb1.7718 P S10 Ta0.2282 -","- K4 Nb7.0872 P4 S40 Ta0.9128 -","4","1","","Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop","The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~","Acta Crystallographica Section E","2014","70","2","i8","","10.1107/S1600536814000592","","","0.71073","MoKα","","0.021","0.0193","","","","0.0403","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239017","10.824","0.002","20.021","0.004","11.826","0.002","90","","91.15","0.01","90","","2562.3","0.8","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Hydrido(prolinato-κ^2^N,O)tris(trimethylphosphane-κP)iridium hexafluoridophosphate","","- C14 H36 F6 Ir N O2 P4 -","- C14 H36 F6 Ir N O2 P4 -","- C56 H144 F24 Ir4 N4 O8 P16 -","4","2","PK2511","Merola, Joseph S.; Roy, Christopher P.","Hydrido(prolinato-κ^2^N,O)tris(trimethylphosphane-κP)iridium(III) hexafluoridophosphate","Acta Crystallographica Section E","2014","70","2","m73","m74","10.1107/S1600536814001834","","","0.71073","MoKα","","0.037","0.0315","","","0.0724","0.0751","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239018","8.4415","0.0003","18.0256","0.0007","10.026","0.0003","90","","107.495","0.002","90","","1455.02","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C17 H17 N3 S -","- C17 H17 N3 S -","- C68 H68 N12 S4 -","4","1","BT6959","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","N-Phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","2","o205","","10.1107/S1600536814001585","","","0.71073","MoKα","","0.0454","0.0358","","","0.0847","0.0889","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239019","9.8457","0.0002","8.4032","0.0002","19.9127","0.0005","90","","90.97","0.002","90","","1647.25","0.07","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-[4-(Azidomethyl)phenyl]-9H-carbazole-3-carbonitrile","","- C20 H13 N5 -","- C20 H13 N5 -","- C80 H52 N20 -","4","1","HB7185","Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.","9-[4-(Azidomethyl)phenyl]-9H-carbazole-3-carbonitrile","Acta Crystallographica Section E","2014","70","2","o197","","10.1107/S1600536814001391","","","0.71073","MoKα","","0.0951","0.0646","","","0.2006","0.2298","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239020","13.2712","0.0014","14.3999","0.0015","20.198","0.002","90","","107.934","0.002","90","","3672.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1H-1,2,4-Triazole-5(4H)-thione-κS]bis(triphenylphosphane-κP)(nitrato-κO)silver(I) methanol monosolvate","","- C39 H37 Ag N4 O4 P2 S -","- C39 H37 Ag N4 O4 P2 S -","- C156 H148 Ag4 N16 O16 P8 S4 -","4","1","LH5682","Wattanakanjana, Yupa; Palamae, Sureeporn; Ratthiwan, Jenejira; Nimthong, Ruthairat","[1H-1,2,4-Triazole-5(4H)-thione-κS]bis(triphenylphosphane-κP)(nitrato-κO)silver(I) methanol monosolvate","Acta Crystallographica Section E","2014","70","2","m61","m62","10.1107/S1600536814001196","","","0.71073","MoKα","","0.0537","0.0405","","","0.0928","0.1001","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239021","25.2013","0.0007","4.66818","0.00009","15.7013","0.0004","90","","104.926","0.003","90","","1784.84","0.08","123","0.2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Dodecylindoline-2,3-dione","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","RZ5103","Qachchachi, Fatima-Zahrae; Ouazzani Chahdi, Fouad; Misbahi, Houria; Bodensteiner, Michael; El Ammari, Lahcen","1-Dodecylindoline-2,3-dione","Acta Crystallographica Section E","2014","70","2","o229","","10.1107/S1600536814001792","","","1.54184","CuKα","","0.0407","0.0349","","","0.0946","0.1001","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239022","9.9239","0.0003","9.1968","0.0003","30.0099","0.0008","90","","96.617","0.003","90","","2720.7","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Flupentixol tartrate","1-(2-Hydroxyethyl)-4-{3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl}piperazin-1-ium 3-carboxy-2,3-dihydroxypropionate","","- C27 H31 F3 N2 O7 S -","- C27 H31 F3 N2 O7 S -","- C108 H124 F12 N8 O28 S4 -","4","1","SU2691","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H.S.","Flupentixol tartrate","Acta Crystallographica Section E","2014","70","2","o206","o207","10.1107/S1600536814001536","","","1.54184","CuKα","","0.0937","0.0779","","","0.196","0.2057","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239023","11.8961","0.0003","12.064","0.0003","21.2489","0.0005","90","","97.036","0.001","90","","3026.56","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Cyanido-κC)(2,2-diphenylacetamido-κ^2^N,O)bis(η^5^-pentamethylcyclopentadienyl)zirconium(IV)","","- C35 H42 N2 O Zr -","- C35 H42 N2 O Zr -","- C140 H168 N8 O4 Zr4 -","4","1","BT6957","Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe","(Cyanido-κC)(2,2-diphenylacetamido-κ^2^N,O)bis(η^5^-pentamethylcyclopentadienyl)zirconium(IV)","Acta Crystallographica Section E","2014","70","2","m57","","10.1107/S1600536814001160","","","0.71073","MoKα","","0.0436","0.033","","","0.0782","0.0848","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239024","12.8354","0.0009","18.4979","0.0017","18.7933","0.0018","90","","92.839","0.012","90","","4456.6","0.7","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[5-methoxy-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol disolvate","","- C46 H46 Cl Cu N2 O3 P2 S -","- C46 H46 Cl Cu N2 O3 P2 S -","- C184 H184 Cl4 Cu4 N8 O12 P8 S4 -","4","1","CV5442","Meng, Qing-Xuan","Chlorido[5-methoxy-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol disolvate","Acta Crystallographica Section E","2014","70","2","m60","","10.1107/S1600536814001251","","","0.71073","MoKα","","0.18","0.0857","","","0.1907","0.2171","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239025","18.108","0.002","5.104","0.001","5.08","0.001","90","","105.09","0.03","90","","453.32","0.15","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","N^1^,N^2^-Dimethylethane-1,2-diaminium dichloride","","- C4 H14 Cl2 N2 -","- C4 H14 Cl2 N2 -","- C8 H28 Cl4 N4 -","2","0.25","ZL2574","Merola, Joseph S.","N^1^,N^2^-Dimethylethane-1,2-diaminium dichloride","Acta Crystallographica Section E","2014","70","2","o216","","10.1107/S1600536814001627","","","0.71073","MoKα","","0.0305","0.026","","","0.068","0.0704","","","","","","1.139","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239026","11.0949","0.0003","12.3669","0.0004","14.2892","0.0004","94.399","0.003","110.888","0.001","102.695","0.002","1760.93","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(5-Methylpyrazine-2-carboxylato-κ^2^N^1^,O)bis[2-(4-methylpyridin-2-yl-κN)-3,5-bis(trifluoromethyl)phenyl-κC^1^]iridium(III) chloroform hemisolvate","","- C34.5 H21.5 Cl1.5 F12 Ir N4 O2 -","- C34 H21 F12 Ir N4 O2 -","- C68 H42 F24 Ir2 N8 O4 -","2","1","TK5282","Kim, Young-Inn; Song, Young-Kwang; Kang, Sung Kwon","(5-Methylpyrazine-2-carboxylato-κ^2^N^1^,O)bis[2-(4-methylpyridin-2-yl-κN)-3,5-bis(trifluoromethyl)phenyl-κC^1^]iridium(III) chloroform hemisolvate","Acta Crystallographica Section E","2014","70","2","m34","","10.1107/S1600536813034727","","","0.71073","MoKα","","0.0277","0.025","","","","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239027","4.4979","0.0002","8.3377","0.0004","13.3911","0.0006","90","","90","","90","","502.19","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Barium polyphosphate","Barium catena-polyphosphate","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","PJ2008","Weil, Matthias","Redetermination of β-Ba(PO~3~)~2~","Acta Crystallographica Section E","2014","70","2","i7","","10.1107/S1600536814000361","","","0.71073","MoKα","","0.0202","0.0197","","","0.0471","0.0473","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239028","15.0686","0.0016","24.327","0.003","3.8986","0.0004","90","","90","","90","","1429.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Methoxy-4,6-diphenylnicotinonitrile","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","LH5683","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Swaidan, Ibrahim A.","2-Methoxy-4,6-diphenylnicotinonitrile","Acta Crystallographica Section E","2014","70","2","o228","","10.1107/S1600536814001755","","","0.71073","MoKα","","0.0481","0.0404","","","0.088","0.0933","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239029","5.1818","0.001","16.968","0.003","19.484","0.004","90","","90","","90","","1713.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3,4-Tri-O-acetyl-2-N-(trifluoroacetyl)-β-L-fucose","","- C14 H18 F3 N O8 -","- C14 H18 F3 N O8 -","- C56 H72 F12 N4 O32 -","4","1","BV2229","McCutcheon, David C.; Norris, Peter; Zeller, Matthias","1,3,4-Tri-O-acetyl-2-N-(trifluoroacetyl)-β-L-fucose","Acta Crystallographica Section E","2014","70","2","o134","o135","10.1107/S1600536813034958","","","0.71073","MoKα","","0.0418","0.0373","","","0.0853","0.0878","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239030","10.25082","0.00019","6.13117","0.00009","10.9209","0.0002","90","","100.873","0.0018","90","","674.05","0.02","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-aminocyclobutane carboxylic acid monohydrate","1-Azaniumylcyclobutane-1-carboxylate monohydrate","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.","1-Azaniumylcyclobutane-1-carboxylate monohydrate","Acta Crystallographica Section E","2014","70","2","o217","o218","10.1107/S1600536813033217","","","1.54184","CuKα","","0.0388","0.0382","","","0.1021","0.1028","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239031","17.056","0.002","11.7514","0.0016","11.8962","0.0016","90","","92.984","0.002","90","","2381.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Triaqua[1,1'-(propane-1,3-diyl)bis(pyridin-1-ium-4-carboxylato)-κO]bis(thiocyanato-κN)manganese(II) dihydrate","","- C17 H24 Mn N4 O9 S2 -","- C17 H24 Mn N4 O9 S2 -","- C68 H96 Mn4 N16 O36 S8 -","4","1","","Tan, Qing-Hua; Wang, Yan-Qin","cis-Triaqua[1,1'-(propane-1,3-diyl)bis(pyridin-1-ium-4-carboxylato)-κO]bis(thiocyanato-κN)manganese(II) dihydrate","Acta Crystallographica Section E","2014","70","2","m42","","10.1107/S1600536814000701","","","0.71073","MoKα","","0.0845","0.0452","","","0.0875","0.1041","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239032","7.332","0.003","7.582","0.002","12.487","0.004","73.424","0.012","85.877","0.012","83.029","0.011","659.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-2-phenylquinoline-3-carbaldehyde","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","HG5376","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","7-Methoxy-2-phenylquinoline-3-carbaldehyde","Acta Crystallographica Section E","2014","70","2","o195","o196","10.1107/S1600536814001457","","","0.71073","MoKα","","0.0618","0.0482","","","0.1268","0.1383","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239033","14.1838","0.0007","7.5493","0.0004","18.4619","0.0012","90","","107.837","0.002","90","","1881.83","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","0.5","HG5373","Yamin, Bohari M.; Kamalulazmy, Nurul A.; Hassan, Nurul I.","4,4'-({[(Pyridine-2,6-diyl)bis(methylene)]bis(oxy)}bis(methylene))dibenzonitrile","Acta Crystallographica Section E","2014","70","2","o132","","10.1107/S1600536814000245","","","0.71073","MoKα","","0.0494","0.0387","","","0.0981","0.1061","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239034","13.745","0.003","8.24","0.002","12.151","0.003","90","","100.079","0.006","90","","1355","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","FY2109","Yennawar, Hemant P.; Silverberg, Lee J.","2,3-Diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one","Acta Crystallographica Section E","2014","70","2","o133","","10.1107/S1600536814000324","","","0.71073","MoKα","","0.0831","0.0608","","","0.1299","0.1396","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239035","6.886","0.0008","7.256","0.0009","7.3786","0.0009","91.06","0.006","110.933","0.009","105.661","0.009","328.84","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Lithium/sodium iron(III) bis[orthomolybdate(VI)]","","- Fe Li0.37 Mo2 Na0.63 O8 -","- Fe Li0.369 Mo2 Na0.631 O8 -","- Fe2 Li0.738 Mo4 Na1.262 O16 -","2","1","VN2079","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","β-Li~0.37~Na~0.63~Fe(MoO~4~)~2~","Acta Crystallographica Section E","2014","70","2","i9","i10","10.1107/S1600536814000646","","","0.71073","MoKα","","0.0204","0.0195","","","0.051","0.0514","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239036","8.6289","0.0005","11.9346","0.0007","12.7785","0.0007","66.099","0.004","83.536","0.004","77.572","0.004","1174.45","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","μ-1,6,7,12-Tetraazaperylene-κ^4^N^1^,N^12^:N^6^,N^7^-bis[chlorido(η^6^-p-cymene)ruthenium(II)] bis(hexafluoridophosphate) acetone disolvate","","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","- C42 H48 Cl2 F12 N4 O2 P2 Ru2 -","1","0.5","TK5277","Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","μ-1,6,7,12-Tetraazaperylene-κ^4^N^1^,N^12^:N^6^,N^7^-bis[chlorido(η^6^-p-cymene)ruthenium(II)] bis(hexafluoridophosphate) acetone disolvate","Acta Crystallographica Section E","2014","70","2","m39","m40","10.1107/S160053681400035X","","","0.71073","MoKα","","0.0302","0.0295","","","0.0795","0.0801","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239037","6.7132","0.0004","15.9369","0.001","6.8022","0.0004","90","","91.192","0.002","90","","727.59","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol","2,2'-[Hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)]bis(4-methoxyphenol)","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","RZ5090","Taha, Muhammad; Shah, Syed Adnan Ali; Sultan, Sadia; Ismail, Nor Hadiani; Yousuf, Sammer","2-{[2-(2-Hydroxy-5-methoxybenzylidene)hydrazin-1-ylidene]methyl}-4-methoxyphenol","Acta Crystallographica Section E","2014","70","2","o131","","10.1107/S1600536813034636","","","0.71073","MoKα","","0.0418","0.0344","","","0.0935","0.1011","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239038","7.0051","0.0003","8.6342","0.0002","12.7131","0.0003","90","","90","","90","","768.93","0.04","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Cytosinium hydrogen selenite","6-Amino-2-methylidene-2,3-dihydropyrimidin-1-ium hydrogen selenite","","- C4 H7 N3 O4 Se -","- C4 H7 N3 O4 Se -","- C16 H28 N12 O16 Se4 -","4","1","","Takouachet, Radhwane; Benali-Cherif, Rim; Benali-Cherif, Nourredine","Cytosinium hydrogen selenite","Acta Crystallographica Section E","2014","70","2","o186","o187","10.1107/S1600536814001275","","","0.71073","MoKα","","0.0513","0.0416","","","0.0929","0.0977","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239039","9.696","0.005","6.606","0.005","13.385","0.005","90","","110.249","0.005","90","","804.3","0.8","293","2","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1-[(E)-2-(5-tert-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","XU5764","Bougueria, Hassiba; Mili, Assia; Benosmane, Ali; el kader Bouchoul, Abd; Bouaoud, Salaheddine","1-[(E)-2-(5-tert-Butyl-2-hydroxyphenyl)diazen-1-yl]naphthalen-2-ol","Acta Crystallographica Section E","2014","70","2","o225","","10.1107/S1600536814001731","","","0.71073","MoKα","","0.0822","0.0477","","","0.1212","0.1437","","","","","","0.894","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239040","11.281","0.002","14.005","0.004","20.124","0.003","90","","95.97","0.01","90","","3162.2","1.2","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-[(Dimethylamino)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C144 H136 N24 O8 -","8","2","","Loughzail, Mohamed; Baouid, Abdesselam; Fernandes, José A.; Driss, Mohamed; Soumhi, El Hassane","(E)-3-[(Dimethylamino)methylidene]-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one","Acta Crystallographica Section E","2014","70","2","o126","","10.1107/S1600536813034739","","","0.71073","MoKα","","0.1227","0.0515","","","0.128","0.1582","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239041","13.4405","0.0003","16.9172","0.0003","7.6841","0.0002","90","","96.084","0.001","90","","1737.34","0.07","100","","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-Methoxy-N'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate","","- C18 H21 N2 O5.5 -","- C18 H21 N2 O5.5 -","- C72 H84 N8 O22 -","4","1","LH5678","Chantrapromma, Suchada; Boonnak, Nawong; Horkaew, Jirapa; Quah, Ching Kheng; Fun, Hoong-Kun","(E)-4-Methoxy-N'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate","Acta Crystallographica Section E","2014","70","2","o150","o151","10.1107/S1600536814000531","","","0.71073","MoKα","","0.1035","0.0591","","","0.1192","0.1378","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239042","9.3599","0.0012","15.1128","0.0019","10.477","0.0013","90","","92.181","0.002","90","","1480.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Ethyl-3-methyl-1H-imidazol-3-ium spiropentaborate","1-Ethyl-3-methyl-1H-imidazolium 4,8,10-tetrahydroxyspiro[5.5]pentaboroxan-6-uide","","- C6 H15 B5 N2 O10 -","- C6 H15 B5 N2 O10 -","- C24 H60 B20 N8 O40 -","4","1","LD2114","Parker, T. Gannon; Pubbi, Divya; Beehler, Austin; Albrecht-Schmitt, Thomas E.","1-Ethyl-3-methyl-1H-imidazol-3-ium spiropentaborate","Acta Crystallographica Section E","2014","70","2","o171","o172","10.1107/S1600536813034363","","","0.71073","MoKα","","0.0411","0.0329","","","0.0825","0.0877","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239043","12.1749","0.0012","13.4571","0.0013","15.0439","0.0015","107.45","0.002","94.8","0.002","90.987","0.002","2340.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(1-Methyl-1H-imidazole-κN^3^)(1-methyl-2-nitrosobenzene-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)iron(II) dichloromethane monosolvate","","- C56 H43 Cl2 Fe N7 O -","- C55 H41 Fe N7 O -","- C110 H82 Fe2 N14 O2 -","2","1","","Abucayon, Erwin G.; Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.","(1-Methyl-1H-imidazole-κN^3^)(1-methyl-2-nitrosobenzene-κN)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)iron(II) dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","2","m51","m52","10.1107/S160053681400083X","","","0.71073","MoKα","","0.074","0.0564","","","0.1593","0.1726","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239044","7.4724","0.0004","14.3106","0.0007","16.1549","0.0007","90","","90","","90","","1727.52","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(2,4-Dinitrophenyl)-2-[(E)-(3,4,5-trimethoxybenzylidene)]hydrazine","1-(2,4-Dinitrophenyl)-2-[(E)-(3,4,5-trimethoxybenzylidene)]hydrazine","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C64 H64 N16 O28 -","4","1","SJ5380","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chidan Kumar, C. S.; Fun, Hoong-Kun","1-(2,4-Dinitrophenyl)-2-[(E)-(3,4,5-trimethoxybenzylidene)]hydrazine","Acta Crystallographica Section E","2014","70","2","o188","o189","10.1107/S1600536814001238","","","0.71073","MoKα","","0.0663","0.0476","","","0.0989","0.1072","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239045","8.7454","0.0007","15.2824","0.0011","16.9487","0.0013","90","","91.974","0.005","90","","2263.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","2","XU5756","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole","Acta Crystallographica Section E","2014","70","2","o157","","10.1107/S1600536814000737","","","0.71073","MoKα","","0.0417","0.034","","","0.083","0.088","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239046","22.6016","0.0005","7.4947","0.0002","11.9196","0.0003","90","","99.673","0.004","90","","1990.38","0.09","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[aquabis(4-formylbenzoato-κ^2^O^1^,O^1'^)cadmium]-μ-pyrazine-κ^2^N:N']","","- C20 H16 Cd N2 O7 -","- C20 H16 Cd N2 O7 -","- C80 H64 Cd4 N8 O28 -","4","1","SU2679","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","catena-Poly[[aquabis(4-formylbenzoato-κ^2^O^1^,O^1'^)cadmium]-μ-pyrazine-κ^2^N:N']","Acta Crystallographica Section E","2014","70","2","m37","m38","10.1107/S1600536813035010","","","0.71073","MoKα","","0.0595","0.0585","","","0.1439","0.1443","","","","","","1.345","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239047","8.458","0.0013","34.92","0.006","10.8333","0.0017","90","","97.226","0.007","90","","3174.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methylbenzenesulfonamide","","- C15 H14 Cl N3 O2 S -","- C15 H14 Cl N3 O2 S -","- C120 H112 Cl8 N24 O16 S8 -","8","2","RZ5102","Chicha, Hakima; Rakib, El Mostapha; Amiri, Ouafa; Saadi, Mohamed; El Ammari, Lahcen","N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o181","","10.1107/S1600536814001184","","","0.71073","MoKα","","0.0669","0.0482","","","0.1254","0.1369","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239048","7.631","0.004","10.878","0.007","8.35","0.003","90","","105.6","0.02","90","","667.6","0.6","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Ethyl-2,2-dimethyl-N-(3-methylphenyl)propanamide","","- C14 H21 N O -","- C14 H21 N O -","- C28 H42 N2 O2 -","2","1","HG5371","Palakshamurthy, B. S.; Suchetan, P. A.; Sreenivasa, S.; Lokanath, N. K.; Madhu Chakrapani Rao, T.","N-Ethyl-2,2-dimethyl-N-(3-methylphenyl)propanamide","Acta Crystallographica Section E","2014","70","2","o223","","10.1107/S1600536814001718","","","1.54178","CuKα","","0.0605","0.0571","","","0.1548","0.16","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239049","13.283","0.002","5.3661","0.001","23.281","0.004","90","","96.633","0.01","90","","1648.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C72 H64 N16 O4 S4 -","4","1","TK5287","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one","Acta Crystallographica Section E","2014","70","2","o160","o161","10.1107/S1600536814000786","","","0.71073","MoKα","","0.0664","0.0459","","","0.1334","0.1492","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239050","6.0293","0.0004","7.8506","0.0003","13.1163","0.0009","88.592","0.004","77.02","0.005","77.68","0.004","590.87","0.06","123.3","","123","","","","","","","","","3","P -1","-P 1","2","3,4-dimethyl phenyl benzoate","3,4-Dimethylphenyl benzoate","","- C15 H14 O2 -","- C15 H14 O2 -","- C30 H28 O4 -","2","1","TK5288","Moreno-Fuquen, Rodolfo; Rendón, Mauricio; Kennedy, Alan R.","3,4-Dimethylphenyl benzoate","Acta Crystallographica Section E","2014","70","2","o194","","10.1107/S1600536814001299","","","0.71073","MoKα","","0.0695","0.048","","","0.101","0.1118","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239051","8.0573","0.0003","9.0358","0.0004","14.24","0.0006","74.137","0.003","87.831","0.003","73.32","0.002","954.36","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (4-{[(diethylcarbamothioyl)sulfanyl]methyl}-2-oxo-2H-chromen-7-yl)carbamate","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","BT6958","Roopashree, K. R.; Kumar, K. Mahesh; Anitha, B. R.; Ravi, A. J.; Devarajegowda, H. C.","Ethyl (4-{[(diethylcarbamothioyl)sulfanyl]methyl}-2-oxo-2H-chromen-7-yl)carbamate","Acta Crystallographica Section E","2014","70","2","o219","o220","10.1107/S1600536814001706","","","0.71073","MoKα","","0.0422","0.035","","","0.0955","0.1006","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239052","6.8068","0.0003","21.0244","0.0009","9.0699","0.0004","90","","105.077","0.001","90","","1253.3","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Nitro-2-phenylimidazo[2,1-b][1,3]benzothiazole","","- C15 H9 N3 O2 S -","- C15 H9 N3 O2 S -","- C60 H36 N12 O8 S4 -","4","1","RK2421","Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","7-Nitro-2-phenylimidazo[2,1-b][1,3]benzothiazole","Acta Crystallographica Section E","2014","70","2","o143","o144","10.1107/S1600536814000476","","","0.71073","MoKα","","0.054","0.0412","","","0.102","0.1104","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239053","17.932","0.0007","11.112","0.0004","18.5968","0.0007","90","","90","","90","","3705.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4S)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4H-spiro[1,2-oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C160 H144 Cl8 N24 O24 -","8","1","CV5438","Govindan, E.; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Premalatha, K.; SubbiahPandi, A.","(4S)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4H-spiro[1,2-oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o173","","10.1107/S1600536814000191","","","0.71073","MoKα","","0.097","0.0437","","","0.1024","0.1335","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239054","10.3893","0.0008","15.1803","0.0012","7.5789","0.0006","90","","99.63","0.001","90","","1178.45","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 5-acetyl-1-hydroxy-4-methyl-1H-pyrrole-2,3-dicarboxylate","","- C11 H13 N O6 -","- C11 H13 N O6 -","- C44 H52 N4 O24 -","4","1","LD2115","Rosen, Gerald M.; Muralidharan, Sukumaran; Zavalij, Peter Y.; Kao, Joseph P. Y.","Dimethyl 5-acetyl-1-hydroxy-4-methyl-1H-pyrrole-2,3-dicarboxylate, an oxidation-resistant N-hydroxypyrrole","Acta Crystallographica Section E","2014","70","2","o110","o111","10.1107/S1600536813034466","","","0.71073","MoKα","","0.0368","0.0305","","","0.0638","0.0643","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239055","18.525","0.003","6.7872","0.0009","14.564","0.003","90","","108.9","0.018","90","","1732.4","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Aminopyrazol-2-ium hydrogen succinate","5-Amino-1H-pyrazol-2-ium 3-carboxypropanoate","","- C7 H11 N3 O4 -","- C7 H11 N3 O4 -","- C56 H88 N24 O32 -","8","1","TK5290","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","5-Amino-1H-pyrazol-2-ium hydrogen succinate","Acta Crystallographica Section E","2014","70","2","o221","o222","10.1107/S1600536814001615","","","0.71073","MoKα","","0.1043","0.0706","","","0.1775","0.2119","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239056","12.3149","0.0006","14.8415","0.0007","15.8795","0.0008","69.725","0.001","89.368","0.001","73.433","0.001","2597","0.2","173","2","173","2","","","","","","","","2","P -1","-P 1","2","2,2'-Bi(9,9-diethylfluorene)","9,9,9',9'-Tetraethyl-2,2'-bi(9H-fluorene)","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","2","SJ5384","Park, Ki-Min; Oh, Hankook; Kang, Youngjin","2,2'-Bi(9,9-diethylfluorene)","Acta Crystallographica Section E","2014","70","2","o185","","10.1107/S1600536814001378","","","0.71073","MoKα","","0.0846","0.0585","","","0.1195","0.135","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239057","14.6046","0.0005","10.8008","0.0003","16.3151","0.0006","90","","107.39","0.004","90","","2455.93","0.15","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","","- C24 H20 Cl4 N4 O Zn -","- C24 H20 Cl4 N4 O Zn -","- C96 H80 Cl16 N16 O4 Zn4 -","4","1","SU2681","Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.","Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate","Acta Crystallographica Section E","2014","70","2","m53","","10.1107/S1600536814000208","","","0.71073","MoKα","","0.0456","0.0305","","","0.0624","0.0679","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239058","6.3037","0.0003","9.6995","0.0005","18.6675","0.0009","75.28","0.004","86.842","0.004","84.404","0.004","1098.11","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","N-Tris-2-phenylaziridine","rac-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine","","- C23 H31 N O2 S -","- C23 H31 N O2 S -","- C46 H62 N2 O4 S2 -","2","1","FK2077","Golz, Christopher; Preut, Hans; Strohmann, Carsten","rac-2-Phenyl-1-[(2,4,6-triisopropylbenzene)sulfonyl]aziridine","Acta Crystallographica Section E","2014","70","2","o153","","10.1107/S1600536814000257","","","0.71073","MoKα","","0.0518","0.0417","","","0.1007","0.1072","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239059","8.1362","0.0009","8.2254","0.0009","12.4471","0.0011","98.105","0.008","92.297","0.008","116.821","0.011","730.88","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-propionylpropionamide","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Idris, Nabil; Butcher, Ray J.; Bakare, Oladapo","N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-propionylpropionamide","Acta Crystallographica Section E","2014","70","2","o102","","10.1107/S1600536813034302","","","1.54178","CuKα","","0.0521","0.0422","","","0.107","0.1151","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239060","7.128","0.003","8.304","0.004","15.162","0.007","90","","96.528","0.005","90","","891.6","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Z)-N-[(Z)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C40 H48 N4 -","2","0.5","CV5439","Lv, Wen-Xian; Li, Jian; Hu, Yu-Lai; Su, Ying-Peng; Huang, Dan-Feng","(Z)-N-[(Z)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline","Acta Crystallographica Section E","2014","70","2","o175","","10.1107/S1600536814001020","","","0.71073","MoKα","","0.0782","0.0511","","","0.1513","0.1749","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239061","6.1997","0.0007","12.9145","0.0015","16.591","0.0019","90","","90","","90","","1328.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1H)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HB7165","Chahmana, Safia; Benghanem, Fatiha; Keraghel, Saida; Ourari, Ali","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1H)-one","Acta Crystallographica Section E","2014","70","2","o107","","10.1107/S160053681303451X","","","0.71073","MoKα","","0.0497","0.0364","","","0.0919","0.0992","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239062","9.0371","0.0008","12.0642","0.001","12.8369","0.0011","93.066","0.001","105.869","0.001","111.574","0.001","1233.2","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C48 H56 N8 O12 S4 -","4","2","SU2683","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.","1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one","Acta Crystallographica Section E","2014","70","2","o145","o146","10.1107/S1600536814000117","","","0.71073","MoKα","","0.0395","0.0343","","","0.0898","0.0945","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239063","21.977","0.003","12.2295","0.001","10.2217","0.0009","90","","93.49","0.009","90","","2742.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-(3,4-Dimethoxyphenyl)ethyl](3-{N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)azanium chloride dihydrate","","- C24 H39 Cl N2 O7 -","- C24 H39 Cl N2 O7 -","- C96 H156 Cl4 N8 O28 -","4","1","","Saidov, Abdusalom Sh.; Turgunov, Kambarali K.","[2-(3,4-Dimethoxyphenyl)ethyl](3-{N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}propyl)azanium chloride dihydrate","Acta Crystallographica Section E","2014","70","2","o232","","10.1107/S1600536814001998","","","1.54184","CuKα","","0.0854","0.0463","","","0.1124","0.1314","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239064","10.1324","0.0002","9.6887","0.0003","10.5399","0.0002","90","","106.537","0.002","90","","991.9","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine","","- C16 H16 Cl2 N4 O7 -","- C16 H16 Cl2 N4 O7 -","- C32 H32 Cl4 N8 O14 -","2","1","LD2116","Novosjolova, Irina; Stepanovs, Dmitrijs; Bizdēna, Ērika; Mishnev, Anatoly; Turks, Māris","2,6-Dichloro-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine","Acta Crystallographica Section E","2014","70","2","o108","o109","10.1107/S1600536813034521","","","0.71073","MoKα","","0.0754","0.0461","","","0.0942","0.107","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239065","5.2602","0.0004","7.157","0.0006","9.0126","0.001","84.533","0.008","83.4","0.008","78.679","0.007","329.57","0.05","293","2","293","2","","","","","","","","6","P 1","P 1","1","","(2R,3S,4R,5R)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","- C11 H12 F I N4 O3 -","1","1","KP2461","Li, Wei; Yang, Ruchun; Xiao, Qiang","(2R,3S,4R,5R)-5-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol","Acta Crystallographica Section E","2014","70","2","o120","","10.1107/S1600536813034995","","","0.71073","MoKα","","0.0345","0.0345","","","0.1012","0.1012","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239066","11.8356","0.0003","10.304","0.0002","13.3999","0.0003","90","","119.85","0.002","90","","1417.37","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Propyl-6-(p-tolylsulfanyl)pyrimidine-2,4(1H,3H)-dione","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","SJ5382","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","5-Propyl-6-(p-tolylsulfanyl)pyrimidine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2014","70","2","o179","o180","10.1107/S1600536814000749","","","1.54178","CuKα","","0.0462","0.0436","","","0.1233","0.1259","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239067","24.386","0.005","10.784","0.002","15.139","0.003","90","","118.59","0.03","90","","3495.8","1.6","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate","","- C18.5 H18 N6 O0.5 Se -","- C18.5 H18 N6 O0.5 Se -","- C148 H144 N48 O4 Se8 -","8","2","","Seredyuk, Maksym; Sharkina, Natalia O.; Gumienna-Kontecka, Elzbieta; Kapshuk, Anatoly A.","Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate","Acta Crystallographica Section E","2014","70","2","o127","o128","10.1107/S1600536813034624","","","0.71073","MoKα","","0.0388","0.0324","","","0.0749","0.0777","","","","","","0.971","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239068","7.0229","0.0003","8.6148","0.0003","21.5662","0.0015","90","","90.029","0.006","90","","1304.77","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one","","- C14 H8 N4 O6 -","- C14 H8 N4 O6 -","- C56 H32 N16 O24 -","4","1","","Tiekink, Edward R. T.; Wardell, James L.","2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one","Acta Crystallographica Section E","2014","70","2","o158","o159","10.1107/S1600536814000609","","","0.71073","MoKα","","0.0396","0.0339","","","0.0984","0.1011","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239069","7.1565","0.0006","9.3521","0.0008","9.8747","0.0009","85.722","0.004","81.422","0.004","86.941","0.004","651.09","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)pyridine-3-carboxylate","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C26 H28 N8 O4 -","2","1","HB7179","Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Tahir, M. Nawaz; Bibi, Asma; Andleeb, Hina","Ethyl 6-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)pyridine-3-carboxylate","Acta Crystallographica Section E","2014","70","2","o136","","10.1107/S1600536813034673","","","0.71073","MoKα","","0.069","0.046","","","0.1176","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239070","13.2008","0.0014","13.2008","0.0014","26.695","0.003","90","","90","","120","","4028.7","0.8","200","2","200","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","","- C24 H21 N3 O6 -","- C24 H21 N3 O6 -","- C144 H126 N18 O36 -","6","0.333333","","Fang, Li; Li, Feifei; Luo, Xuemei","1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione","Acta Crystallographica Section E","2014","70","2","o118","","10.1107/S160053681303482X","","","0.71073","MoKα","","0.0601","0.0439","","","0.1145","0.1219","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239071","4.268","0.0008","17.214","0.003","8.9685","0.0017","90","","100.089","0.003","90","","648.7","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(N,N-dimethylcyanamide-κN)lithium]-μ~3~-bromido]","","- C3 H6 Br Li N2 -","- C3 H6 Br Li N2 -","- C12 H24 Br4 Li4 N8 -","4","1","SJ5383","Xie, Qianwen; Tong, Hongbo; Zhou, Meisu","catena-Poly[[(N,N-dimethylcyanamide-κN)lithium]-μ~3~-bromido]","Acta Crystallographica Section E","2014","70","2","m69","m70","10.1107/S1600536814001652","","","0.71073","MoKα","","0.0326","0.0247","","","0.0582","0.0612","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239072","6.8187","0.0003","11.3345","0.0004","11.3727","0.0005","87.846","0.003","89.747","0.004","80.524","0.003","866.35","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Nonapotassium triyttrium dodecasilicate difluoride","","- F2 K9 O32 Si12 Y3 -","- F2 K9 O32 Si12 Y3 -","- F2 K9 O32 Si12 Y3 -","1","0.5","WM2792","Kahlenberg, Volker; Manninger, Tanja","K~9~Y~3~[Si~12~O~32~]F~2~","Acta Crystallographica Section E","2014","70","2","i11","","10.1107/S1600536814001470","","","0.71073","MoKα","","0.0539","0.0392","","","0.0957","0.0993","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239073","20.5587","0.0014","20.5587","0.0014","18.01","0.002","90","","90","","90","","7612.1","1.1","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)","","- C44 H48 Cu4 N8 O24 -","- C44 H48 Cu4 N8 O24 -","- C176 H192 Cu16 N32 O96 -","4","0.25","","Chygorin, Eduard N.; Smal, Yuri O.; Kokozay, Vladimir N.; Omelchenko, Irina V.","Tetrakis(μ~3~-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)","Acta Crystallographica Section E","2014","70","2","m54","m55","10.1107/S1600536814000798","","","0.71073","MoKα","","0.1551","0.0752","","","0.1563","0.1844","","","","","","0.801","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239074","9.8241","0.0018","11.6975","0.0019","21.881","0.004","90","","111.144","0.008","90","","2345.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-trans-6,6'-Diethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","FJ2654","Mohan, Nithya; Sreejith, S. S.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(±)-trans-6,6'-Diethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenol monohydrate","Acta Crystallographica Section E","2014","70","2","o182","o183","10.1107/S1600536814000713","","","0.71073","MoKα","","0.1503","0.0683","","","0.1504","0.1904","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239075","7.8608","0.0006","5.6985","0.0007","38.817","0.003","90","","98.733","0.006","90","","1718.6","0.3","200","1","200","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","caesium cinnamate cinnamic acid","Poly[μ~5~-{hydrogen bis[(E)-cinnamato]}-caesium]","","- C18 H15 Cs O4 -","- C18 H15 Cs O4 -","- C72 H60 Cs4 O16 -","4","1","WM2798","Smith, Graham","Poly[μ~5~-{hydrogen bis[(E)-cinnamato]}-caesium]","Acta Crystallographica Section E","2014","70","2","m43","m44","10.1107/S1600536814000804","","","0.71073","MoKα","","0.0912","0.0708","","","0.1352","0.1435","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239076","14.5293","0.0019","10.6225","0.0014","9.6918","0.0014","90","","92.695","0.005","90","","1494.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-N-(4-methoxybenzoyl)benzenesulfonamide","","- C14 H12 Cl N O4 S -","- C14 H12 Cl N O4 S -","- C56 H48 Cl4 N4 O16 S4 -","4","1","HB7189","Sreenivasa, S.; Palakshamurthy, B. S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","2-Chloro-N-(4-methoxybenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o199","","10.1107/S1600536814001482","","","1.54178","CuKα","","0.0646","0.0629","","","0.1612","0.1626","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239077","9.2192","0.0015","9.4791","0.0013","15.162","0.003","76.894","0.009","89.133","0.01","63.11","0.006","1145.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(n-dodecylammonium) bis(chloranilato)diethanolcuprate(II)","","- C40 H68 Cl4 Cu N2 O10 -","- C40 H68 Cl4 Cu N2 O10 -","- C40 H68 Cl4 Cu N2 O10 -","1","0.5","","Himegi, Akiko; Kawata, Satoshi","Bis(n-dodecylammonium) bis(chloranilato)diethanolcuprate(II)","Acta Crystallographica Section E","2014","70","2","m63","m64","10.1107/S1600536814001202","","","0.71075","MoKα","","","0.0306","","","","0.0785","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239078","5.964","0.002","7.018","0.001","21.688","0.002","91.9","0.02","90.6","0.02","102.45","0.03","885.8","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate","Bis[2-(dimethylazaniumyl)ethyl](methyl)azanium trinitrate","","- C9 H26 N6 O9 -","- C9 H26 N6 O9 -","- C18 H52 N12 O18 -","2","1","BH2492","Gatfaoui, Sofian; Rzaigui, Mohamed; Marouani, Houda","1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate","Acta Crystallographica Section E","2014","70","2","o198","","10.1107/S1600536814001469","","","0.56083","AgKα","","0.0982","0.0626","","","0.1629","0.1837","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239079","18.926","0.003","8.0486","0.0009","16.337","0.003","90","","90","","90","","2488.6","0.7","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","N'-[(1E)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","","- C14 H12 F N3 O -","- C14 H12 F N3 O -","- C112 H96 F8 N24 O8 -","8","1","","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","N'-[(1E)-1-(2-Fluorophenyl)ethylidene]pyridine-3-carbohydrazide","Acta Crystallographica Section E","2014","70","2","o115","","10.1107/S1600536813035009","","","0.71073","MoKα","","0.0978","0.0508","","","0.1294","0.1608","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239080","10.916","0.0003","11.9027","0.0003","12.4848","0.0004","90","","111.602","0.001","90","","1508.21","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4S)-3-Methyl-5,6,7,8-tetrahydro-4H-spiro[[1,2]oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione","","- C18 H15 N3 O3 -","- C18 H15 N3 O3 -","- C72 H60 N12 O12 -","4","1","SU2673","Govindan, E.; Yuvaraj, P. S.; Reddy, B. S. R.; Bangaru Sudarsan Alwar, S.; SubbiahPandi, A.","(4S)-3-Methyl-5,6,7,8-tetrahydro-4H-spiro[[1,2]oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o168","","10.1107/S1600536814000130","","","0.71073","MoKα","","0.0566","0.0467","","","0.1266","0.1355","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239081","5.796","0.001","5.889","0.001","7.774","0.002","87.02","0.01","82.15","0.01","61.87","0.01","231.79","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Butane-1,4-diammonium hexafluorosilicate","","- C4 H14 F6 N2 Si -","- C4 H14 F6 N2 Si -","- C4 H14 F6 N2 Si -","1","0.5","IM2447","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Butane-1,4-diammonium hexafluorosilicate","Acta Crystallographica Section E","2014","70","2","o174","","10.1107/S1600536814001068","","","0.71073","MoKα","","0.0558","0.0383","","","0.1051","0.1077","","","","","","1.052","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239082","21.807","0.002","7.3521","0.0008","18.602","0.002","90","","101.211","0.003","90","","2925.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","HB7188","Sreenivasa, S.; Palakshamurthy, B. S.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.","N-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","2","o193","","10.1107/S1600536814001354","","","1.54178","CuKα","","0.0715","0.0462","","","0.119","0.1217","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239083","38.307","0.018","46.05","0.02","3.7832","0.0018","90","","90","","90","","6674","5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","","- C16 H18 N6 O5 -","- C16 H18 N6 O5 -","- C256 H288 N96 O80 -","16","1","","Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R.","Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","2","o166","o167","10.1107/S1600536813034971","","","0.71073","MoKα","","0.13","0.0877","","","0.2102","0.2328","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239084","9.8552","0.0005","13.3056","0.0008","15.6124","0.0008","68.987","0.005","84.74","0.004","73.093","0.005","1828.32","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Enrofloxacinium oxalate","Bis-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium] oxalate","","- C40 H46 F2 N6 O10 -","- C40 H46 F2 N6 O10 -","- C80 H92 F4 N12 O20 -","2","1","HG5378","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","Enrofloxacinium oxalate","Acta Crystallographica Section E","2014","70","2","o200","o201","10.1107/S1600536814001421","","","1.54184","CuKα","","0.064","0.0508","","","0.1336","0.1447","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239085","8.9368","0.0003","17.2369","0.0004","10.3805","0.0003","90","","114.216","0.004","90","","1458.33","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-(2-chlorophenyl)urea","","- C14 H11 Cl2 N5 O -","- C14 H11 Cl2 N5 O -","- C56 H44 Cl8 N20 O4 -","4","1","BT6956","Devaru, Venkatesh B.; Vinduvahini, M.; Madaiah, M.; Revanasiddappa, H. D.; Devarajegowda, H. C.","1-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-(2-chlorophenyl)urea","Acta Crystallographica Section E","2014","70","2","o155","o156","10.1107/S1600536814000695","","","0.71073","MoKα","","0.0475","0.0392","","","0.1062","0.1116","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239086","5.6069","0.0009","7.7822","0.0013","22.864","0.004","81.101","0.005","85.571","0.005","69.879","0.004","925.2","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(E)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one","","- C22 H26 O2 -","- C22 H26 O2 -","- C44 H52 O4 -","2","1","","McKoy, Davia; Franks, Marion A.; Assefa, Zerihun","(E)-3-(4-Heptyloxyphenyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o163","o164","10.1107/S1600536813034429","","","0.71073","MoKα","","0.0704","0.051","","","0.1238","0.1517","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239087","8.6407","0.0004","9.1433","0.0003","11.0008","0.0005","107.742","0.002","104.898","0.002","102.372","0.002","758.45","0.06","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","5,5,7,12,12,14-Hexamethyl-1,8-bis(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane","","- C30 H46 N6 O4 -","- C30 H46 N6 O4 -","- C30 H46 N6 O4 -","1","0.5","","Gayathri, K.; Sathya, S.; Usha, G.; Ramanjaneya Reddy, G.; Balasubramanian, S.","5,5,7,12,12,14-Hexamethyl-1,8-bis(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2014","70","1","o50","","10.1107/S1600536813031164","","","0.71073","MoKα","","0.0755","0.0506","","","0.1575","0.1848","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239088","12.8122","0.001","13.9317","0.0012","19.7795","0.0014","90","","94.647","0.003","90","","3519","0.5","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-3-[(Dimethylamino)methylidene]-4-phenyl-1-(prop-2-ynyl)-1H-1,5-benzodiazepin-2(3H)-one","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Loughzail, Mohamed; Baouid, Abdesselam; Almeida Paz, Filipe A.; Cavaleiro, José A. S.; Soumhi, El Hassane","(E)-3-[(Dimethylamino)methylidene]-4-phenyl-1-(prop-2-ynyl)-1H-1,5-benzodiazepin-2(3H)-one","Acta Crystallographica Section E","2014","70","1","o32","","10.1107/S1600536813032960","","","0.71073","MoKα","","0.0515","0.0378","","","0.0912","0.0989","","","","","","1.015","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2239089","23.6403","0.0006","7.5682","0.0002","8.0329","0.0003","90","","90","","90","","1437.2","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^N,N',N''}zinc","","- C13 H17 Cl2 N3 Zn -","- C13 H17 Cl2 N3 Zn -","- C52 H68 Cl8 N12 Zn4 -","4","1","","Al-Sudani, Abdul-Razak H.","Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^N,N',N''}zinc","Acta Crystallographica Section E","2014","70","1","m1","","10.1107/S1600536813029929","","","0.71073","MoKα","","0.0357","0.0301","","","0.0635","0.0661","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239090","3.9825","0.0001","11.1705","0.0004","27.4417","0.0009","90","","90","","90","","1220.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Dichloro-9-(prop-2-yn-1-yl)-9H-carbazole","","- C15 H9 Cl2 N -","- C15 H9 Cl2 N -","- C60 H36 Cl8 N4 -","4","1","LH5674","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Mohamed, Asmaa H.; Albayati, Mustafa R.","3,6-Dichloro-9-(prop-2-yn-1-yl)-9H-carbazole","Acta Crystallographica Section E","2014","70","1","o27","","10.1107/S1600536813032777","","","1.54178","CuKα","","0.0276","0.0264","","","0.0674","0.0684","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239091","10.0344","0.0001","16.1485","0.0002","20.165","0.0003","90","","98.699","0.001","90","","3229.96","0.07","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[5-(Pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate","","- C18 H17 N4 O2.5 -","- C18 H17 N4 O2.5 -","- C144 H136 N32 O20 -","8","2","","Paprocka, Renata; Modzelewska-Banachiewicz, Bożena; Gzella, Andrzej K.","2-{[5-(Pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate","Acta Crystallographica Section E","2014","70","1","o95","o96","10.1107/S1600536813034077","","","0.71073","MoKα","","0.0541","0.0442","","","0.1119","0.1189","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239092","7.6037","0.0002","16.8934","0.0004","8.6574","0.0003","90","","111.303","0.003","90","","1036.08","0.06","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^N^3^,O)nickel(II) dihydrate","","- C12 H26 N4 Ni O10 S2 -","- C12 H26 N4 Ni O10 S2 -","- C24 H52 N8 Ni2 O20 S4 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.","Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ^2^N^3^,O)nickel(II) dihydrate","Acta Crystallographica Section E","2014","70","1","m18","m19","10.1107/S1600536813032169","","","1.54178","CuKα","","0.048","0.0448","","","0.111","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239093","13.5839","0.0004","11.3764","0.0004","28.5382","0.0009","90","","95.12","0.002","90","","4392.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2',1':4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C208 H200 Cl8 N16 O24 -","8","2","DS2236","Nagalakshmi, R.A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2',1':4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione","Acta Crystallographica Section E","2014","70","1","o97","o98","10.1107/S1600536813034107","","","0.71073","MoKα","","0.077","0.0461","","","0.1058","0.1232","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239094","12.7162","0.0005","8.0719","0.0002","14.1156","0.0005","90","","110.877","0.004","90","","1353.76","0.09","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate","","- C15 H10 N2 O7 -","- C15 H10 N2 O7 -","- C60 H40 N8 O28 -","4","1","NG5349","Moreno-Fuquen, Rodolfo; Hernández, Geraldine; Kennedy, Alan R.","4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate","Acta Crystallographica Section E","2014","70","1","o17","","10.1107/S1600536813032583","","","0.71073","MoKα","","0.0531","0.0402","","","0.0883","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239095","11.315","0.0009","15.629","0.002","19.419","0.002","90","","90","","90","","3434.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinoxaline-indene","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,11'-indeno[1,2-b]quinoxaline]","","- C39 H38 N4 O8 -","- C39 H38 N4 O8 -","- C156 H152 N16 O32 -","4","1","","Anuradha, T.; Naga Siva Rao, J.; Seshadri, P. R.; Raghunathan, R.","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,11'-indeno[1,2-b]quinoxaline]","Acta Crystallographica Section E","2014","70","1","o38","o39","10.1107/S1600536813032467","","","0.71073","MoKα","","0.1124","0.0499","","","0.1015","0.1238","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239096","7.678","0.0001","15.4747","0.0003","10.725","0.0002","90","","104.333","0.002","90","","1234.62","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","HB7173","Mohamed, Shaaban K.; Akkurt, Mehmet; Kariuki, Benson M.; Ali, Ali M.; Albayati, Mustafa R.","N-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","1","o54","","10.1107/S1600536813033394","","","1.5418","CuKα","","0.0312","0.0296","","","0.0811","0.0824","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239097","6.4366","0.0003","9.8909","0.0005","34.3628","0.0015","90","","95.102","0.002","90","","2179","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(E)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate","","- C26 H24 F N O4 S -","- C26 H24 F N O4 S -","- C104 H96 F4 N4 O16 S4 -","4","1","RZ5097","Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Quah, Ching Kheng; Chantrapromma, Suchada","2-[(E)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate","Acta Crystallographica Section E","2014","70","1","o11","o12","10.1107/S1600536813032509","","","0.71073","MoKα","","0.0959","0.0649","","","0.1382","0.1538","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239098","7.8225","0.0016","13.579","0.003","13.78","0.003","63.004","0.003","87.157","0.004","83.377","0.004","1295.5","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","2,4,4'-Triethyl acetateoxy chalcone","Ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate","","- C27 H30 O10 -","- C27 H30 O10 -","- C54 H60 O20 -","2","1","","Liu, Xiaofeng","The chalcone ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate","Acta Crystallographica Section E","2014","70","1","o51","","10.1107/S1600536813033114","","","0.71073","MoKα","","0.0809","0.0754","","","0.173","0.1775","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239099","12.763","0.0018","12.763","0.0018","6.368","0.0013","90","","90","","90","","1037.3","0.3","153","2","153","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Pentalanthanum zinc diplumbide","","- La5 Pb2.606 Zn0.394 -","- La5 Pb2.606 Zn0.394 -","- La20 Pb10.424 Zn1.576 -","4","0.125","","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Harbrecht, Bernd","Pentalanthanum zinc diplumbide, La~5~Zn~1{-~x}Pb~2+x~ (x ≃0.6)","Acta Crystallographica Section E","2014","70","1","i2","i3","10.1107/S1600536813033618","","","0.71073","MoKα","","0.0238","0.0238","","","0.0578","0.0578","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239100","29.6079","0.001","30.5302","0.001","8.5175","0.0003","90","","90","","90","","7699.3","0.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","","- C24 H56 Cl6 N2 O14 Pt -","- C24 H56 Cl6 N2 O14 Pt -","- C192 H448 Cl48 N16 O112 Pt8 -","8","0.5","PK2505","Bulatov, Evgeny; Afanasenko, Anastasiya; Chulkova, Tatiana; Haukka, Matti","Bis(hydroxyammonium) hexachloridoplatinate(IV)‒18-crown-6 (1/2)","Acta Crystallographica Section E","2014","70","1","m7","m8","10.1107/S1600536813032649","","","0.71073","MoKα","","0.0464","0.0327","","","0.0504","0.0539","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239101","9.8336","0.0011","9.8665","0.0009","16.6357","0.0008","100.29","0.006","101.696","0.007","109.129","0.009","1439.9","0.3","144","2","144","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine","","- C17 H14 N2 S -","- C17 H14 N2 S -","- C68 H56 N8 S4 -","4","2","IS5326","Cabrera-Vivas, Blanca M.; Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Meléndez-Balbuena, Lidia; Ramirez, Juan C.","(E)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine","Acta Crystallographica Section E","2014","70","1","o80","","10.1107/S1600536813033874","","","0.71073","MoKα","","0.0486","0.0394","","","0.0916","0.0987","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239102","8.1337","0.0002","28.9015","0.0009","8.4727","0.0002","90","","113.449","0.001","90","","1827.24","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzylammonium) dihydrogen diphosphate","","- C14 H22 N2 O7 P2 -","- C14 H22 N2 O7 P2 -","- C56 H88 N8 O28 P8 -","4","1","LH5670","Saad, Ahlem Ben; Elboulali, Adel; Ratel-Ramond, Nicolas; Mohamed, Rzaigui; Toumi, Samah Akriche","Bis(benzylammonium) dihydrogen diphosphate","Acta Crystallographica Section E","2014","70","1","o3","","10.1107/S1600536813032455","","","0.71073","MoKα","","0.0563","0.0428","","","0.1186","0.1273","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239103","6.8275","0.0018","14.004","0.004","14.267","0.004","90","","91.293","0.005","90","","1363.8","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z,4E)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one","","- C17 H12 F2 O3 -","- C17 H12 F2 O3 -","- C68 H48 F8 O12 -","4","1","LH5672","Chen, Jing-Wei; He, Zhuo; Wu, Zhen; Fang, Mei-Juan; Fang, Hua","(2Z,4E)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","1","o88","","10.1107/S1600536813033564","","","0.71073","MoKα","","0.0631","0.0528","","","0.1392","0.1466","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239104","6.9712","0.0004","10.6989","0.0006","19.3288","0.001","90","","96.441","0.002","90","","1432.52","0.14","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-Dichloro-N-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide","","- C12 H14 Cl2 N2 O2 S -","- C12 H14 Cl2 N2 O2 S -","- C48 H56 Cl8 N8 O8 S4 -","4","1","RN2121","Yamin, Bohari M.; Sapari, Suhaila; Hasbullah, Siti Aishah","2,4-Dichloro-N-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide","Acta Crystallographica Section E","2014","70","1","o33","","10.1107/S1600536813032881","","","0.71073","MoKα","","0.0473","0.04","","","0.1123","0.1256","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239105","14.782","0.004","10.883","0.003","18.03","0.004","90","","100.035","0.004","90","","2856.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Iodidobis(morpholine-4-carbodithioato-κ^2^S,S')(1,10-phenanthroline-κ^2^N,N')bismuth(III)","","- C24 H28 Bi I N4 S4 -","- C24 H28 Bi I N4 S4 -","- C96 H112 Bi4 I4 N16 S16 -","4","1","","Li, Feng; Yin, Handong; Wu, Guoxing","Iodidobis(morpholine-4-carbodithioato-κ^2^S,S')(1,10-phenanthroline-κ^2^N,N')bismuth(III)","Acta Crystallographica Section E","2014","70","1","m20","","10.1107/S1600536813033515","","","0.71073","MoKα","","0.0544","0.0361","","","0.0889","0.0999","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239106","13.8746","0.0004","9.7484","0.0002","16.3264","0.0004","90","","106.593","0.002","90","","2116.27","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ~2~-isopropylimido-κ^2^N:N)bis[(η^5^-cyclopentadienyl)(ethenolato-κO)titanium(IV)]","","- C20 H30 N2 O2 Ti2 -","- C20 H30 N2 O2 Ti2 -","- C80 H120 N8 O8 Ti8 -","4","1","","Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe","Bis(μ~2~-isopropylimido-κ^2^N:N)bis[(η^5^-cyclopentadienyl)(ethenolato-κO)titanium(IV)]","Acta Crystallographica Section E","2014","70","1","m16","","10.1107/S1600536813033072","","","0.71073","MoKα","","0.0261","0.0238","","","0.0684","0.0693","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239107","9.4295","0.0002","9.2755","0.0002","10.0972","0.0002","90","","90","","90","","883.13","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium manganese(II) catena-tetrakis(polyphosphate)","","- Li2 Mn O12 P4 -","- Li2 Mn O12 P4 -","- Li8 Mn4 O48 P16 -","4","0.5","BR2233","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Dilithium manganese(II) catena-tetrakis(polyphosphate), Li~2~Mn(PO~3~)~4~","Acta Crystallographica Section E","2014","70","1","i1","","10.1107/S1600536813032388","","","0.71073","MoKα","","0.0206","0.0181","","","0.0501","0.051","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239108","11.9339","0.0008","12.4369","0.0009","17.9627","0.0012","90","","104.051","0.001","90","","2586.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^4^O^1^:O^1'^:O^4^:O^4'^)bis(tetrahydrofuran-κO)dizinc]","","- C24 H16 F8 O10 Zn2 -","- C24 H16 F8 O10 Zn2 -","- C96 H64 F32 O40 Zn8 -","4","1","IS5307","Choi, Sang Beom; Jhon, Young Ho; Ko, Nakeun; Yang, Jin Kuk","Poly[bis(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ^4^O^1^:O^1'^:O^4^:O^4'^)bis(tetrahydrofuran-κO)dizinc]","Acta Crystallographica Section E","2014","70","1","m3","","10.1107/S1600536813031887","","","0.71073","MoKα","","0.1613","0.0527","","","0.103","0.1394","","","0.941","","","0.941","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239109","8.097","0.0016","12.604","0.003","14.441","0.003","64.28","0.03","82.42","0.03","86.7","0.03","1316.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cp*RuCl3RuCp*][PF6]","Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate","","- C20 H30 Cl3 F6 P Rh2 -","- C20 H30 Cl3 F6 P Rh2 -","- C40 H60 Cl6 F12 P2 Rh4 -","2","1","TK5276","Ezzedinloo, Lida; Shrestha, Sumi; Bhadbhade, Mohan; Colbran, Stephen","Tri-μ-chlorido-bis[(η^5^-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate from synchrotron radiation","Acta Crystallographica Section E","2014","70","1","m14","m15","10.1107/S1600536813032480","","","0.71073","Synchrotron","","0.0254","0.025","","","0.0593","0.0595","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239110","7.991","0.0001","8.4273","0.0001","9.6172","0.0002","84.614","0.001","67.682","0.001","63.134","0.001","532.088","0.016","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichloridobis(pyridazine-κN)palladium(II)","","- C8 H8 Cl2 N4 Pd -","- C8 H8 Cl2 N4 Pd -","- C16 H16 Cl4 N8 Pd2 -","2","1","","Laramée, Baptiste; Hanan, Garry S.","trans-Dichloridobis(pyridazine-κN)palladium(II)","Acta Crystallographica Section E","2014","70","1","m17","","10.1107/S1600536813032716","","","1.54178","CuKα","","0.0229","0.0228","","","0.0677","0.068","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239111","10.44","0.0003","5.3148","0.0002","17.2638","0.0006","90","","99.746","0.0016","90","","944.08","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Nitro-9H-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","FF2123","Kautny, Paul; Stöger, Berthold","1-Nitro-9H-carbazole","Acta Crystallographica Section E","2014","70","1","o28","","10.1107/S1600536813032704","","","0.71073","MoKα","","0.0472","0.0399","","","0.0666","0.0681","","","","","","1.89","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239112","13.0428","0.001","13.3557","0.001","27.4939","0.0017","90","","90","","90","","4789.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^O)bis(tetrahydrofuran-κO)potassium bis[(1,2,3,4-η)-anthracene]cobalt(-I) tetrahydrofuran monosolvate","","- C52 H68 Co K O9 -","- C52 H68 Co K O9 -","- C208 H272 Co4 K4 O36 -","4","1","HG5364","He, Haiyan; Klein, Wilhelm; Fässler, Thomas F.","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^O)bis(tetrahydrofuran-κO)potassium bis[(1,2,3,4-η)-anthracene]cobalt({-}I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2014","70","1","m9","m10","10.1107/S1600536813032510","","","0.71073","MoKα","","0.1157","0.0454","","","0.0668","0.0758","","","","","","0.765","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239113","7.4125","0.0003","8.5371","0.0003","13.0825","0.0005","90.401","0.002","95.707","0.002","111.302","0.002","766.66","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-5,6-dinitro-1H-indazole","","- C14 H10 N4 O6 S -","- C14 H10 N4 O6 S -","- C28 H20 N8 O12 S2 -","2","1","BT6953","Oulemda, Bassou; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen","1-(4-Methylphenylsulfonyl)-5,6-dinitro-1H-indazole","Acta Crystallographica Section E","2014","70","1","o101","","10.1107/S1600536813034326","","","0.71073","MoKα","","0.0475","0.0423","","","0.1188","0.1246","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239114","7.596","0.003","12.377","0.006","12.123","0.006","90","","102.964","0.008","90","","1110.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethyl-3-phenylisoxazole-5-carboxamide","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","RZ5100","Wang, Li; Li, Ya-Jun; Li, Zheng-Wei; Liu, Kai-Ge; Zhang, Shao-Hua","N,N-Dimethyl-3-phenylisoxazole-5-carboxamide","Acta Crystallographica Section E","2014","70","1","o94","","10.1107/S1600536813033199","","","0.71073","MoKα","","0.0738","0.0469","","","0.1128","0.1276","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239115","9.9658","0.0002","10.1453","0.0002","11.3007","0.0002","71.188","0.001","72.599","0.001","84.434","0.001","1032.04","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Ethyl-5-iodoindoline-2,3-dione","","- C10 H8 I N O2 -","- C10 H8 I N O2 -","- C40 H32 I4 N4 O8 -","4","2","VM2202","Wang, Lei; Shen, Yu-Xiang; Dong, Jian-Tong; Zhang, Man; Fang, Qi","1-Ethyl-5-iodoindoline-2,3-dione","Acta Crystallographica Section E","2014","70","1","o67","","10.1107/S1600536813033539","","","0.71073","MoKα","","0.0291","0.0232","","","0.0608","0.0656","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239116","10.25","0.0003","13.442","0.0003","14.667","0.0004","65.611","0.001","85.525","0.001","76.73","0.002","1791.03","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(Diselanediylbis{[P,P-diphenyl-N-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-N-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate","","- C72 H102 N4 P4 Se2 Si4 -","- C62 H78 N4 P4 Se2 Si4 -","- C62 H78 N4 P4 Se2 Si4 -","1","0.5","SU2665","Thirumoorthi, Ramalingam; Chivers, Tristram; Laitinen, Risto S.","1,1'-(Diselanediylbis{[P,P-diphenyl-N-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-N-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate","Acta Crystallographica Section E","2014","70","1","o20","o21","10.1107/S1600536813032674","","","0.71073","MoKα","","0.0882","0.0683","","","0.1573","0.1695","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239117","21.764","0.006","5.2284","0.0013","24.134","0.006","90","","106.388","0.008","90","","2634.7","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(2-Chloro-5-nitrophenyl)-N'-(3-chloropropionyl)thiourea","","- C10 H9 Cl2 N3 O3 S -","- C10 H9 Cl2 N3 O3 S -","- C80 H72 Cl16 N24 O24 S8 -","8","1","FJ2651","Yamin, Bohari M.; Soh, Siti K. C.; Yusoff, Siti Fairus M.","N-(2-Chloro-5-nitrophenyl)-N'-(3-chloropropionyl)thiourea","Acta Crystallographica Section E","2014","70","1","o34","","10.1107/S1600536813032662","","","0.71073","MoKα","","0.0424","0.0361","","","0.0928","0.0969","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239118","21.7514","0.0004","6.8794","0.0002","12.9048","0.0003","90","","93.621","0.003","90","","1927.18","0.08","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabis(4-formylbenzoato-κO^1^)copper(II)]-μ-pyrazine-κ^2^N:N']","","- C20 H18 Cu N2 O8 -","- C20 H18 Cu N2 O8 -","- C80 H72 Cu4 N8 O32 -","4","0.5","SU2669","Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","catena-Poly[[diaquabis(4-formylbenzoato-κO^1^)copper(II)]-μ-pyrazine-κ^2^N:N']","Acta Crystallographica Section E","2014","70","1","m4","m5","10.1107/S1600536813032297","","","0.71073","MoKα","","0.0304","0.0279","","","0.087","0.0888","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239119","7.6484","0.0014","9.5715","0.0017","14.394","0.003","75.12","0.012","87.548","0.012","83.298","0.012","1011.4","0.3","166","2","166","2","","","","","","","","5","P -1","-P 1","2","","1-(Bromomercurio)ferrocene","","- C10 H9 Br Fe Hg -","- C10 H9 Br Fe Hg -","- C40 H36 Br4 Fe4 Hg4 -","4","2","","Breunig, Jens M.; Lerner, Hans-Wolfram; Bats, Jan W.","1-(Bromomercurio)ferrocene","Acta Crystallographica Section E","2014","70","1","m13","","10.1107/S1600536813032923","","","0.71073","MoKα","","0.0449","0.0349","","","0.0839","0.0907","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239120","9.2955","0.0019","12.98","0.003","7.5288","0.0015","90","","110.75","0.03","90","","849.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(bromomethyl)pyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","GK2596","Cuzan, Olesea; Straistari, Tatiana; Turta, Constantin; Réglier, Marius","2,6-Bis(bromomethyl)pyridine","Acta Crystallographica Section E","2014","70","1","o4","","10.1107/S1600536813032364","","","0.71073","MoKα","","0.0579","0.0439","","","0.1085","0.1187","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239121","5.8965","0.0002","13.6946","0.0005","14.4945","0.0005","91.379","0.002","92.797","0.002","90.906","0.002","1168.53","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexane-1,6-diammonium hexafluorosilicate","","- C6 H18 F6 N2 Si -","- C6 H18 F6 N2 Si -","- C24 H72 F24 N8 Si4 -","4","2","RZ5101","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","Hexane-1,6-diammonium hexafluorosilicate","Acta Crystallographica Section E","2014","70","1","o92","o93","10.1107/S1600536813034144","","","0.71073","MoKα","","0.0682","0.0515","","","0.1456","0.1593","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239122","8.2098","0.0003","11.4125","0.0004","13.0619","0.0004","79.224","0.003","77.066","0.003","76.645","0.003","1148.65","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine","","- C27 H31 N3 -","- C27 H31 N3 -","- C54 H62 N6 -","2","1","TK5280","Boyt, Stuart M.; Chaplin, Adrian B.","2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine","Acta Crystallographica Section E","2014","70","1","o73","","10.1107/S1600536813033801","","","1.54184","CuKα","","0.046","0.0436","","","0.1208","0.1232","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239123","11.1254","0.001","14.3871","0.0013","15.9525","0.0015","94.491","0.003","101.972","0.003","106.229","0.003","2372.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Benzyltris[2-(dibenzylamino)ethyl]ammonium iodide","","- C55 H61 I N4 -","- C55 H61 I N4 -","- C110 H122 I2 N8 -","2","1","IS5322","Bello, Mollie J.; Brady, Sarah E.; Zakharov, Lev N.; Tyler, David R.","Benzyltris[2-(dibenzylamino)ethyl]ammonium iodide","Acta Crystallographica Section E","2014","70","1","o5","","10.1107/S1600536813031607","","","0.71073","MoKα","","0.0221","0.0201","","","0.0479","0.0491","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239124","9.31412","0.00017","11.9669","0.0002","15.4894","0.0003","90","","90","","90","","1726.47","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","TK5278","Fazal, E.; Jasinski, Jerry P.; Anderson, Brian J.; Sudha, B. S.; Nagarajan, S.","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","1","o35","o36","10.1107/S1600536813033060","","","1.54184","CuKα","","0.0376","0.0365","","","0.0966","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239125","19.817","0.0003","11.9384","0.0003","21.7807","0.0004","90","","107.886","0.002","90","","4903.9","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione","","- C26 H37 N5 O S -","- C26 H37 N5 O S -","- C208 H296 N40 O8 S8 -","8","1","RZ5099","El-Emam, Ali A.; Al-Tuwaijri, Hanaa M.; Al-Abdullah, Ebtehal S.; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","1","o25","o26","10.1107/S1600536813032789","","","1.54178","CuKα","","0.0472","0.0429","","","0.1114","0.1152","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239126","9.5727","0.0012","4.7303","0.0008","18.756","0.002","90","","96.178","0.006","90","","844.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1Z)-1-(1-Benzofuran-2-yl)ethanone oxime","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","Arunakumar, D. B.; Nivedita, R. Desai; Sreenivasa, S.; Madan Kumar, S.; Lokanath, N. K.; Suchetan, P. A.","(1Z)-1-(1-Benzofuran-2-yl)ethanone oxime","Acta Crystallographica Section E","2014","70","1","o40","","10.1107/S1600536813033102","","","1.54178","CuKα","","0.0652","0.0621","","","0.1431","0.1464","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239127","7.3819","0.0006","11.7036","0.0009","16.4373","0.0013","89.469","0.002","85.616","0.002","80.456","0.002","1396.34","0.19","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","(E)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","2","IS5324","Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun","(E)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2014","70","1","o62","o63","10.1107/S1600536813032996","","","0.71073","MoKα","","0.0756","0.0516","","","0.1309","0.1475","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239128","7.3785","0.0002","20.1801","0.0004","8.2706","0.0002","90","","112.947","0.004","90","","1134.03","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile","","- C12 H11 N3 S -","- C12 H11 N3 S -","- C48 H44 N12 S4 -","4","1","TK5279","Mohamed, Shaaban K.; Akkurt, Mehmet; Kariuki, Benson M.; Ali, Ali M.; Albayati, Mustafa R.","(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile","Acta Crystallographica Section E","2014","70","1","o52","o53","10.1107/S1600536813033266","","","1.54184","CuKα","","0.0405","0.0369","","","0.1033","0.107","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239129","10.245","0.004","13.679","0.005","14.184","0.005","90","","129.15","0.02","90","","1541.5","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C60 H56 N16 O24 -","4","1","HB7175","Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Kobkeatthawin, Thawanrat; Chidan Kumar, C. S.","(E)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine","Acta Crystallographica Section E","2014","70","1","o89","o90","10.1107/S1600536813033989","","","0.71073","MoKα","","0.1041","0.0473","","","0.1062","0.1307","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239130","31.52","0.002","4.3407","0.0003","12.7849","0.0009","90","","94.427","0.006","90","","1744","0.2","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium 2,4-dichlorobenzoate hemihydrate","Poly[μ-aqua-bis(μ~5~-2,4-dichlorobenzoato)dipotassium]","","- C7 H4 Cl2 K O2.5 -","- C7 H4 Cl2 K O2.5 -","- C56 H32 Cl16 K8 O20 -","8","1","WM2791","Smith, Graham","Poly[μ-aqua-bis(μ~5~-2,4-dichlorobenzoato)dipotassium]","Acta Crystallographica Section E","2014","70","1","m23","","10.1107/S1600536813033503","","","0.71073","MoKα","","0.0355","0.0309","","","0.0774","0.0809","","","","","","1.085","","","","has coordinates,has Fobs","198932","2020-10-21","18:00:00",""
"2239131","20.626","0.002","8.9778","0.001","13.9263","0.0016","90","","127.051","0.001","90","","2058.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","61-20Co1D","catena-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)]","","- C24 H28 Co N2 O6 -","- C24 H28 Co N2 O6 -","- C96 H112 Co4 N8 O24 -","4","0.5","GG2131","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Parker, Cass","catena-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)]","Acta Crystallographica Section E","2014","70","1","m24","","10.1107/S1600536813032832","","","0.71073","MoKα","","0.0667","0.0488","","","0.1159","0.1254","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239132","4.8483","0.0003","28.798","0.002","11.6352","0.0008","90","","101.36","0.001","90","","1592.7","0.18","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenylhydrazinium picrate monohydrate","","- C12 H12 N6 O10 -","- C12 H12 N6 O10 -","- C48 H48 N24 O40 -","4","1","LH5673","Cai, Hong-lan; Liu, Bing; Qiao, Qing-an","4-Nitrophenylhydrazinium picrate monohydrate","Acta Crystallographica Section E","2014","70","1","o15","","10.1107/S1600536813032479","","","0.71073","MoKα","","0.0963","0.0625","","","0.135","0.1504","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239133","6.7285","0.0002","22.638","0.0006","9.7561","0.0003","90","","98.074","0.0017","90","","1471.32","0.07","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(1,10-phenanthroline-5,6-dione-\ κ^2^N,N')platinum(II) acetonitrile monosolvate","","- C14 H9 Cl2 N3 O2 Pt -","- C14 H9 Cl2 N3 O2 Pt -","- C56 H36 Cl8 N12 O8 Pt4 -","4","1","MW2118","Hamala, Amanda; Fritz, Carissa; Rawji, Gulnar; Lynch, Vincent","An acetonitrile solvatomorph of dichlorido(1,10-phenanthroline-5,6-dione)platinum(II)","Acta Crystallographica Section E","2014","70","1","m11","m12","10.1107/S160053681303256X","","","0.71073","MoKα","","0.0498","0.039","","","0.09","0.0942","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239134","12.7","0.005","19.427","0.005","13.203","0.005","90","","115.249","0.005","90","","2946.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate","","- C30 H37 N5 O3 S -","- C30 H37 N5 O3 S -","- C120 H148 N20 O12 S4 -","4","1","","Jothivel, S.; Kabilan, S.","Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","1","o68","o69","10.1107/S1600536813033540","","","0.71073","MoKα","","0.0833","0.055","","","0.1316","0.1536","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239135","9.4276","0.0004","21.5486","0.0009","11.1178","0.0005","90","","103.916","0.002","90","","2192.31","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","1","PK2507","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile","Acta Crystallographica Section E","2014","70","1","o45","o46","10.1107/S1600536813033242","","","0.71073","MoKα","","0.0789","0.0557","","","0.1372","0.1554","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239136","10.493","0.001","20.395","0.004","6.335","0.004","90","","90","","90","","1355.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Sodium potassium trialuminium tetrakis(orthoarsenate)","","- Al3 As4 K1.33 Na1.67 O16 -","- Al3 As4 K1.326 Na1.674 O16 -","- Al12 As16 K5.304 Na6.696 O64 -","4","0.25","","Bouhassine, Mohamad Alem; Boughzala, Habib","The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2014","70","1","i6","","10.1107/S1600536813033850","","","0.71073","MoKα","","0.0409","0.0379","","","0.1095","0.1118","","","","","","1.15","","","","has coordinates,has Fobs","287588","2023-11-14","18:05:45",""
"2239137","8.8836","0.0004","16.467","0.001","11.4865","0.0006","90","","111.271","0.003","90","","1565.85","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,2-difluoro-12-methyl-1λ^5^,3-diaza-2λ^4^- borapentacyclo[11.7.0.0^3,11^.0^4,9^.0^15,20^]icosa- 1(20),4(9),10,12,14-pentaen-1-ylium, LD540","4,4-Difluoro-2,3;5,6-bis(tetramethylene)-4-bora-3a,4a-diaza-s-indacene","","- C18 H21 B F2 N2 -","- C18 H21 B F2 N2 -","- C72 H84 B4 F8 N8 -","4","1","VM2201","Salorinne, Kirsi; Tero, Tiia-Riikka; Lahtinen, Tanja","4,4-Difluoro-2,3;5,6-bis(tetramethylene)-4-bora-3a,4a-diaza-s-indacene (LD540)","Acta Crystallographica Section E","2014","70","1","o74","","10.1107/S1600536813033448","","","1.54184","CuKα","","0.0647","0.0471","","","0.1144","0.1245","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239138","14.784","0.002","5.5853","0.0008","14.896","0.002","90","","107.914","0.008","90","","1170.4","0.3","100","","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(diphenylmethyl)benzene-1,4-diamine","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","0.5","HB7158","Al-Fahdawi, Aeed S.; Al-Kafajy, Hussain A.; Al-Jeboori, Mohamad J.; Coles, Simon J.; Wilson, Claire; Potgieter, Herman","N,N'-Bis(diphenylmethyl)benzene-1,4-diamine","Acta Crystallographica Section E","2014","70","1","o66","","10.1107/S1600536813033497","","","0.71075","MoKα","","0.1678","0.0768","","","0.1671","0.2078","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239139","6.127","0.0012","30.686","0.006","9.478","0.003","90","","113.35","0.02","90","","1636","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethyl-4-(pyren-1-yl)aniline","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","SU2671","Thekku Veedu, Sreevidya; Scholz, Mirko; Kia, Reza; Paulmann, Carsten; Techert, Simone","N,N-Dimethyl-4-(pyren-1-yl)aniline","Acta Crystallographica Section E","2014","70","1","o16","","10.1107/S1600536813032698","","","0.6","synchrotron","","0.0571","0.0472","","","0.1295","0.1351","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239140","7.4094","0.0006","9.1941","0.0008","14.4253","0.0011","73.978","0.007","75.315","0.007","75.136","0.007","895.08","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate","","- C19 H17 Cl N2 O2 S -","- C19 H17 Cl N2 O2 S -","- C38 H34 Cl2 N4 O4 S2 -","2","1","BT6948","Flores-Ramos, Miguel; Castillo, Rafael; Hernández-Campos, Alicia; Flores-Alamo, Marcos","5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate","Acta Crystallographica Section E","2014","70","1","o77","","10.1107/S1600536813033709","","","0.71073","MoKα","","0.0871","0.049","","","0.0943","0.1115","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239141","7.495","0.0015","6.035","0.0012","22.412","0.005","90","","93.08","0.03","90","","1012.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1-Benzothiophen-2-yl)-4H-1,3,4-oxadiazin-5(6H)-one","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C44 H32 N8 O8 S4 -","4","1","","Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Shen, Lin-Jiang","2-(1-Benzothiophen-2-yl)-4H-1,3,4-oxadiazin-5(6H)-one","Acta Crystallographica Section E","2014","70","1","o41","","10.1107/S1600536813033291","","","0.71073","MoKα","","0.1067","0.0642","","","0.1629","0.1923","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239142","19.8109","0.0015","5.9314","0.0004","6.092","0.0004","90","","90","","90","","715.85","0.09","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","catena-Poly[[triaquamagnesium]-μ~2~-malonato]","","- C3 H8 Mg O7 -","- C3 H8 Mg O7 -","- C12 H32 Mg4 O28 -","4","1","KJ2236","de Klijn, Tim; Lutz, Martin","catena-Poly[[triaquamagnesium]-μ~2~-malonato]","Acta Crystallographica Section E","2014","70","1","m25","m26","10.1107/S1600536813034193","","","0.71073","MoKα","","0.025","0.0234","","","0.0598","0.0608","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239143","5.9516","0.0009","25.147","0.003","12.4506","0.0015","90","","94.908","0.011","90","","1856.6","0.4","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dapsone p-toluenesulfonate","4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate","","- C19 H20 N2 O5 S2 -","- C19 H20 N2 O5 S2 -","- C76 H80 N8 O20 S8 -","4","1","SJ5377","Smith, Graham; Wermuth, Urs D.","4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate","Acta Crystallographica Section E","2014","70","1","o37","","10.1107/S1600536813033023","","","0.71073","MoKα","","0.0943","0.061","","","0.1396","0.1614","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239144","4.514","0.0009","20.56","0.004","12.0712","0.0019","90","","94.153","0.016","90","","1117.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chloro-2-[(E)-(4-fluorophenyl)iminomethyl]phenol","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","ZL2572","Feng, Tian-Jun","4-Chloro-2-[(E)-(4-fluorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2014","70","1","o42","","10.1107/S1600536813033278","","","0.71073","MoKα","","0.1123","0.056","","","0.1154","0.153","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239145","10.5028","0.0003","20.4117","0.0006","11.9951","0.0004","90","","94.877","0.001","90","","2562.2","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C30 H28 Cl N3 O2 -","- C30 H28 Cl N3 O2 -","- C120 H112 Cl4 N12 O8 -","4","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5''-Benzylidene-5-chloro-1',1''-dimethyl-4'-phenyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o22","o23","10.1107/S1600536813032765","","","0.71073","MoKα","","0.1657","0.0519","","","0.1024","0.137","","","","","","0.941","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239146","8.1196","0.0005","9.6014","0.0006","10.6116","0.0006","106.818","0.003","92.059","0.003","96.114","0.003","785.45","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1H-imidazole","","- C18 H17 F N2 O -","- C18 H17 F N2 O -","- C36 H34 F2 N4 O2 -","2","1","HG5365","Rizwana Begum, S.; Hema, R.; Srinivasan, N.; Anitha, A. G.","2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1H-imidazole","Acta Crystallographica Section E","2014","70","1","o14","","10.1107/S1600536813032492","","","0.71073","MoKα","","0.0709","0.0473","","","0.1283","0.148","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239147","31.0359","0.0012","5.2549","0.0003","7.873","0.0004","90","","90","","90","","1284.01","0.11","102","2","102","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Chloro-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C60 H40 Cl4 N12 O8 -","4","1","SU2672","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Jaber, Abdel-Aal M.; Albayati, Mustafa R.","4-Chloro-N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","1","o47","","10.1107/S1600536813033345","","","1.54178","CuKα","","0.0694","0.0589","","","0.1422","0.1519","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239148","10.198","0.002","13.262","0.003","13.771","0.003","81.14","0.03","73.32","0.03","81.14","0.03","1750.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-methyl-2-oxo-4-[4-(1H-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate‒dimethylformamide‒water (2/1/1)","","- C16.5 H20.5 N6.5 O4 -","- C16.5 H20.5 N6.5 O4 -","- C66 H82 N26 O16 -","4","2","","Ouyang, Hua-Yong; Chang, Yi-Qi; Zhao, Lu","Ethyl 6-methyl-2-oxo-4-[4-(1H-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate‒dimethylformamide‒water (2/1/1)","Acta Crystallographica Section E","2014","70","1","o1","o2","10.1107/S1600536813032224","","","0.71073","MoKα","","0.0879","0.0587","","","0.1426","0.1571","","","","","","1.116","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239149","8.9122","0.0018","16.775","0.003","15.136","0.003","90","","103.71","0.03","90","","2198.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N,2,4,6-Pentamethylanilinium hexafluorophosphate‒1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)","","- C34 H60 F12 N2 O6 P2 -","- C34 H60 F12 N2 O6 P2 -","- C68 H120 F24 N4 O12 P4 -","2","0.5","","Chang, Yi Qi; Zhang, Yuan; Lian, Huo Lin","N,N,2,4,6-Pentamethylanilinium hexafluorophosphate‒1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)","Acta Crystallographica Section E","2014","70","1","o72","","10.1107/S1600536813033734","","","0.71073","MoKα","","0.1203","0.0827","","","0.1772","0.1952","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239150","5.0939","0.0003","9.3629","0.0005","18.7422","0.001","90","","90","","90","","893.88","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Arunakumar, D. B.; Krishnaswamy, G.; Sreenivasa, S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","Acta Crystallographica Section E","2014","70","1","o87","","10.1107/S1600536813033436","","","1.54178","CuKα","","0.0334","0.0332","","","0.0808","0.081","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239151","7.0182","0.0005","16.0165","0.0012","26.7488","0.0015","90","","90","","90","","3006.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","","- C12 H11 Cl3 N2 O4 -","- C12 H11 Cl3 N2 O4 -","- C96 H88 Cl24 N16 O32 -","8","1","","Usha, M. K.; Shetty, Shobhitha; Kalluraya, B.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","Acta Crystallographica Section E","2014","70","1","o13","","10.1107/S160053681303242X","","","0.71073","MoKα","","0.0851","0.0477","","","0.0967","0.1178","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239152","4.9975","0.0002","10.4305","0.0004","18.8467","0.0007","90","","97.257","0.002","90","","974.54","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-[2-Hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethan-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","SU2668","Selvarani, V.; Neelakantan, M. A.; Srinivasan, T.; Velmurugan, D.","1-[2-Hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone","Acta Crystallographica Section E","2014","70","1","o24","","10.1107/S1600536813032613","","","0.71073","MoKα","","0.0567","0.0429","","","0.1175","0.1298","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239153","9.576","0.005","10.187","0.004","17.392","0.005","94.48","0.02","103.74","0.04","112.25","0.04","1498.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Hexakis(3-chloro-2-methylanilinium) cyclohexaphosphate dihydrate","","- C42 H58 Cl6 N6 O20 P6 -","- C42 H58 Cl6 N6 O20 P6 -","- C42 H58 Cl6 N6 O20 P6 -","1","0.5","FJ2652","Bel Haj Salah, Raoudha; Khederi, Lamia; Rzaigui, Mohamed","Hexakis(3-chloro-2-methylanilinium) cyclohexaphosphate dihydrate","Acta Crystallographica Section E","2014","70","1","o61","","10.1107/S1600536813033230","","","0.71073","MoKα","","0.0971","0.0496","","","0.1107","0.1281","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239154","6.6309","0.0002","15.0142","0.0006","17.7082","0.0007","90","","94.551","0.001","90","","1757.43","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Nitrobenzoic acid‒sulfathiazole (1/1)","4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide‒4-nitrobenzoic acid (1/1)","","- C16 H14 N4 O6 S2 -","- C16 H14 N4 O6 S2 -","- C64 H56 N16 O24 S8 -","4","1","","Oruganti, Madhavi; Trivedi, Darshak R.","4-Nitrobenzoic acid‒sulfathiazole (1/1)","Acta Crystallographica Section E","2014","70","1","o85","o86","10.1107/S1600536813034004","","","0.71073","MoKα","","0.0269","0.026","","","0.1008","0.1035","","","","","","0.893","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239155","5.9265","0.001","13.112","0.002","14.556","0.002","90","","96.875","0.007","90","","1123","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Hydroxy-3-methylphenyl)(4-fluorophenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C56 H44 F4 O8 -","4","1","IS5325","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluorophenyl)(4-hydroxy-3-methylphenyl)methanone","Acta Crystallographica Section E","2014","70","1","o76","","10.1107/S1600536813033783","","","1.54178","CuKα","","0.1177","0.0682","","","0.2202","0.2726","","","","","","1.164","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239156","20.5488","0.0019","12.3788","0.0006","23.043","0.002","90","","122.843","0.013","90","","4924.5","1","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(6-Chloropyridazin-3-yl)ferrocene","","- C14 H11 Cl Fe N2 -","- C14 H11 Cl Fe N2 -","- C224 H176 Cl16 Fe16 N32 -","16","2","RN2116","Shi, Guo-Qing; Zhao, Wen-En; Zhao, Xiao-Hui; Hao, Lu-Ye","(6-Chloropyridazin-3-yl)ferrocene","Acta Crystallographica Section E","2014","70","1","m2","","10.1107/S1600536813031310","","","0.71073","MoKα","","0.0417","0.0312","","","0.0724","0.0777","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239157","5.8548","0.0005","8.8892","0.0007","28.273","0.002","90","","93.574","0.004","90","","1468.6","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-Benzylidene-2-chloro-N-(4-chlorophenyl)acetohydrazide","","- C15 H12 Cl2 N2 O -","- C15 H12 Cl2 N2 O -","- C60 H48 Cl8 N8 O4 -","4","1","HB7168","Vinutha, N.; Madan Kumar, S.; Shyma, P. C.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","N'-Benzylidene-2-chloro-N-(4-chlorophenyl)acetohydrazide","Acta Crystallographica Section E","2014","70","1","o31","","10.1107/S1600536813032790","","","1.54178","CuKα","","0.0609","0.0533","","","0.1386","0.1454","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239158","7.5275","0.0015","21.804","0.004","7.1681","0.0014","90","","101.07","0.03","90","","1154.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine","","- C11 H6 F N3 O5 -","- C11 H6 F N3 O5 -","- C44 H24 F4 N12 O20 -","4","1","PK2504","Cui, Lili; He, Xingquan","2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine","Acta Crystallographica Section E","2014","70","1","o100","","10.1107/S1600536813034181","","","0.71073","MoKα","","0.1065","0.0622","","","0.1252","0.1399","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239159","6.4379","0.0002","7.8889","0.0003","13.5122","0.0005","90","","97.43","0.002","90","","680.49","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H24 O -","- C16 H24 O -","- C32 H48 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2014","70","1","o81","o82","10.1107/S1600536813034041","","","0.71073","MoKα","","0.0502","0.0413","","","0.1048","0.1112","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239160","9.8591","0.0003","9.3953","0.0003","9.9778","0.0003","90","","118.965","0.001","90","","808.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium trinickel(II) orthophosphate diphosphate","","- K Ni3 O11 P3 -","- K Ni3 O11 P3 -","- K4 Ni12 O44 P12 -","4","1","BR2234","Moutataouia, Meryem; Lamire, Mohammed; Saadi, Mohamed; El Ammari, Lahcen","Potassium trinickel(II) orthophosphate diphosphate, KNi~3~(PO~4~)P~2~O~7~","Acta Crystallographica Section E","2014","70","1","i5","","10.1107/S1600536813034089","","","0.71073","MoKα","","0.021","0.0196","","","0.0492","0.05","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239161","7.929","0.005","19.817","0.012","8.222","0.005","90","","118.83","0.02","90","","1131.8","1.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra-μ-acetato-κ^8^O:O'-bis[(pyridine-2-carbonitrile-κN^1^)copper(II)]","","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","- C40 H40 Cu4 N8 O16 -","2","0.5","XU5755","Luo, Mei; Wang, Lei; Zhang, Jing-Cheng","Tetra-μ-acetato-κ^8^O:O'-bis[(pyridine-2-carbonitrile-κN^1^)copper(II)]","Acta Crystallographica Section E","2014","70","1","m27","","10.1107/S1600536813034120","","","0.71073","MoKα","","0.0697","0.0596","","","0.1512","0.1587","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239162","8.4452","0.0003","13.2433","0.0005","15.3649","0.0006","90","","100.077","0.003","90","","1691.94","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","","- C18 H23 Cl N2 O2 -","- C18 H23 Cl N2 O2 -","- C72 H92 Cl4 N8 O8 -","4","2","SJ5376","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","1","o83","o84","10.1107/S1600536813033254","","","0.71073","MoKα","","0.0703","0.0423","","","0.0848","0.096","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239163","5.26","0.005","15.396","0.01","13.215","0.009","90","","96.53","0.02","90","","1063.2","1.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-(5-Chloro-2-oxoindolin-3-ylidene)thiosemicarbazone","2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","","- C9 H7 Cl N4 O S -","- C9 H7 Cl N4 O S -","- C36 H28 Cl4 N16 O4 S4 -","4","1","","Bittencourt, Viviane Conceição Duarte de; de Vicenti, Juliano Rosa; Velasques, Jecika Maciel; Zambiazi, Priscilla Jussiane; Gervini, Vanessa Carratu","2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","1","o64","o65","10.1107/S1600536813033369","","","0.71073","MoKα","","0.0311","0.029","","","0.0804","0.0835","","","","","","0.805","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239164","17.697","0.0006","17.697","0.0006","9.5455","0.0006","90","","90","","120","","2589","0.2","298","2","298","2","","","","","","","","3","R -3","-R 3","148","","(1S*,2S*,4R*,5R*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","","- C10 H12 O8 -","- C10 H12 O8 -","- C90 H108 O72 -","9","","IS5327","Uchida, Akira; Hasegawa, Masatoshi; Yamaguchi, Shinya; Takezawa, Eiichiro; Ishikawa, Atsushi; Kagayama, Takashi","(1S*,2S*,4R*,5R*)-Cyclohexane-1,2,4,5-tetracarboxylic acid","Acta Crystallographica Section E","2014","70","1","o75","","10.1107/S1600536813033795","","","0.71073","MoKα","","0.0491","0.0414","","","0.1131","0.1189","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239165","8.3322","0.0002","12.063","0.0003","23.5756","0.0006","84.615","0.001","87.022","0.001","85.482","0.001","2349.45","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-Methyl-N-(4-methylphenylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide","","- C24 H22 N2 O4 S3 -","- C24 H22 N2 O4 S3 -","- C96 H88 N8 O16 S12 -","4","2","KP2458","Carballo, Rubén M.; Hernández-Ortega, Simón; Padilla-Montaño, Nayely; Reyes-Martínez, Reyna; Mirón-López, Gumersindo","4-Methyl-N-(4-methylphenylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","1","o6","o7","10.1107/S1600536813032145","","","0.71073","MoKα","","0.0493","0.0387","","","0.0971","0.1035","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239166","8.5529","0.0003","9.4517","0.0003","11.8936","0.0003","86.334","0.002","89.838","0.002","75.051","0.003","926.94","0.05","123","2","123","2","","","","","","","","3","P -1","-P 1","2","benzimidazole","2-(Naphthalen-1-yl)-1-phenyl-1H-benzimidazole benzene hemisolvate","","- C26 H19 N2 -","- C26 H19 N2 -","- C52 H38 N4 -","2","1","JJ2179","Srinivasan, N.; Thiruvalluvar, A.; Rosepriya, S.; Prakash, S. M.; Butcher, R. J.","2-(Naphthalen-1-yl)-1-phenyl-1H-benzimidazole benzene hemisolvate","Acta Crystallographica Section E","2014","70","1","o55","o56","10.1107/S160053681303331X","","","0.71069","MoKα","","0.0777","0.0565","","","0.1438","0.1595","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239167","4.2117","0.0005","6.1891","0.0007","10.0641","0.0011","100.59","0.009","94.916","0.009","104.589","0.01","247.14","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","4-Amino-3-(4-hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione","","- C9 H10 N4 O S -","- C9 H10 N4 O S -","- C9 H10 N4 O S -","1","1","SU2674","Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.","4-Amino-3-(4-hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","1","o48","o49","10.1107/S1600536813033370","","","0.71073","MoKα","","0.0426","0.0407","","","0.0991","0.1024","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239168","16.1925","0.0005","15.6802","0.0005","17.6529","0.0006","90","","115.038","0.002","90","","4060.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{2-[5-(4-Cyano-5-dicyanomethylidene-2,2-dimethyl-2,5-dihydrofuran-3-yl)penta-2,4-dienylidene]-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl}ethyl 3,5-bis(benzyloxy)benzoate","","- C48 H42 N4 O5 -","- C48 H42 N4 O5 -","- C192 H168 N16 O20 -","4","1","SU2670","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-{2-[5-(4-Cyano-5-dicyanomethylidene-2,2-dimethyl-2,5-dihydrofuran-3-yl)penta-2,4-dienylidene]-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl}ethyl 3,5-bis(benzyloxy)benzoate","Acta Crystallographica Section E","2014","70","1","o29","o30","10.1107/S1600536813032868","","","0.71073","MoKα","","0.0916","0.054","","","0.1307","0.1532","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239169","7.36652","0.00017","17.0314","0.0004","11.2047","0.0002","90","","90.02","0.002","90","","1405.77","0.05","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1-Benzofuran-2-yl)ethanone O-(2,6-difluorobenzyl)oxime","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C68 H52 F8 N4 O8 -","4","1","","Kosmalski, Tomasz; Gzella, Andrzej K.","1-(1-Benzofuran-2-yl)ethanone O-(2,6-difluorobenzyl)oxime","Acta Crystallographica Section E","2014","70","1","o91","","10.1107/S1600536813034090","","","0.71073","MoKα","","0.0533","0.0408","","","0.0932","0.0992","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239170","13.7649","0.0013","12.4993","0.0011","8.1263","0.001","90","","95.523","0.001","90","","1391.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2-Chlorobenzylidene)-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide","","- C13 H11 Cl N4 O3 -","- C13 H11 Cl N4 O3 -","- C52 H44 Cl4 N16 O12 -","4","1","FF2124","Wang, Jinglin; He, Rong; Xin, Zhijuan; Shen, Huiling; Wang, Cairong","(E)-N'-(2-Chlorobenzylidene)-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2014","70","1","o99","","10.1107/S1600536813034119","","","0.71073","MoKα","","0.098","0.0605","","","0.1428","0.1641","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239171","11.1901","0.0002","11.6434","0.0003","12.427","0.0003","99.477","0.002","90.235","0.002","114.893","0.001","1443.77","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C31 H28 Cl3 N3 O2 -","- C31 H28 Cl3 N3 O2 -","- C62 H56 Cl6 N6 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1''-ethyl-1'-methyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o43","o44","10.1107/S1600536813033096","","","0.71073","MoKα","","0.0959","0.0574","","","0.1355","0.1603","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239172","7.2535","0.0003","8.6686","0.0004","11.769","0.0005","70.909","0.001","80.139","0.001","88.077","0.001","688.78","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(3,5-Difluorophenyl)-1-(4-fluorophenyl)-3-trifluoromethyl-1H-pyrazole","","- C16 H8 F6 N2 -","- C16 H8 F6 N2 -","- C32 H16 F12 N4 -","2","1","","Manoj Kumar, Karikere Ekanna; Suchetan, Parameshwar Adimoole; Palakshamurthy, Bandrehalli Siddagangaiah; Madan Kumar, Shankar; Lokanath, Neratur Krishnappagowda; Sreenivasa, Swamy","5-(3,5-Difluorophenyl)-1-(4-fluorophenyl)-3-trifluoromethyl-1H-pyrazole","Acta Crystallographica Section E","2014","70","1","o19","","10.1107/S1600536813032650","","","1.54178","CuKα","","0.0583","0.054","","","0.1605","0.1809","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239173","5.4399","0.0002","18.0322","0.0006","19.0103","0.0006","90","","98.973","0.002","90","","1841.96","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{N-[(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)methyl]methylsulfonamido}ethyl methanesulfonate","","- C17 H24 N2 O5 S2 -","- C17 H24 N2 O5 S2 -","- C68 H96 N8 O20 S8 -","4","1","XU5758","Göçmentürk, Mustafa; Ergün, Yavuz; Mougang-Soume, Berline; Çaylak Delibaş, Nagihan; Hökelek, Tuncer","2-{N-[(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)methyl]methylsulfonamido}ethyl methanesulfonate","Acta Crystallographica Section E","2014","70","1","o78","o79","10.1107/S1600536813034016","","","1.54178","CuKα","","0.0321","0.0313","","","0.0888","0.0897","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239174","6.212","0.002","7.015","0.003","12.422","0.002","100.61","0.03","99.26","0.02","99.57","0.02","514.3","0.3","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)","","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","- C10 H26 N4 Ni O14 S2 -","1","0.5","","Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed","Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)","Acta Crystallographica Section E","2014","70","1","m6","","10.1107/S1600536813032558","","","0.56085","AgKα","","0.0565","0.0379","","","0.091","0.0972","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239175","10.4977","0.0006","15.8329","0.0007","16.3994","0.0008","64.222","0.003","87.792","0.003","86.469","0.003","2449.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cobalt(II) Dimer","Bis(μ~2~-benzoato-κ^2^O:O')bis[(benzoato-κ^2^O,O')bis(4,4'-bipyridine-κN)cobalt(II)]‒benzoic acid (1/6)","","- C110 H88 Co2 N8 O20 -","- C110 H88 Co2 N8 O20 -","- C110 H88 Co2 N8 O20 -","1","0.5","MW2119","Peña-Rodríguez, Rodolfo; Rivera, José María; Colorado-Peralta, Raúl; Duarte-Hernández, Angélica María; Flores-Parra, Angelina","Bis(μ~2~-benzoato-κ^2^O:O')bis[(benzoato-κ^2^O,O')bis(4,4'-bipyridine-κN)cobalt(II)]‒benzoic acid (1/6)","Acta Crystallographica Section E","2014","70","1","m21","m22","10.1107/S1600536813033357","","","0.71073","MoKα","","0.1818","0.0764","","","0.1223","0.1565","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239176","11.5458","0.0005","12.2357","0.0005","12.5267","0.0007","64.341","0.002","84.286","0.002","83.467","0.002","1582.29","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-[4-(dimethylamino)benzylidene]-4'-[4-(dimethylamino)phenyl]-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C34 H38 Cl N5 O2 -","- C34 H38 Cl N5 O2 -","- C68 H76 Cl2 N10 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Tiekink, Edward R. T.","5-Chloro-5''-[4-(dimethylamino)benzylidene]-4'-[4-(dimethylamino)phenyl]-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","1","o70","o71","10.1107/S1600536813033771","","","0.71073","MoKα","","0.2651","0.0606","","","0.109","0.1654","","","","","","0.906","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239177","7.0718","0.0008","7.2901","0.0008","11.8434","0.0007","92.778","0.007","94.986","0.007","109.752","0.01","570.5","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-(4-Chlorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione","","- C10 H9 Cl N4 S -","- C10 H9 Cl N4 S -","- C20 H18 Cl2 N8 S2 -","2","1","QM2102","Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.","4-[(E)-(4-Chlorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","1","o57","o58","10.1107/S1600536813033527","","","1.54184","CuKα","","0.0503","0.0431","","","0.1108","0.1202","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239178","12.611","0.003","9.5694","0.0019","20.325","0.006","90","","124.1","0.02","90","","2031.1","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(9H-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine","","- C24 H25 N O Si -","- C24 H25 N O Si -","- C96 H100 N4 O4 Si4 -","4","1","SJ5378","Li, Zhong-Yuan; Wang, Peng; Chen, Xia","N-[(9H-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine","Acta Crystallographica Section E","2014","70","1","o59","o60","10.1107/S1600536813033424","","","0.71073","MoKα","","0.0843","0.0752","","","0.1679","0.1729","","","","","","1.237","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239179","6.8924","0.0003","8.757","0.0004","6.0758","0.0002","90","","90","","90","","366.72","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nickel(II) uranium(IV) trisulfide","","- Ni S3 U -","- Ni S3 U -","- Ni4 S12 U4 -","4","0.5","","Ward, Matthew D.; Ibers, James A.","Nickel(II) uranium(IV) trisulfide","Acta Crystallographica Section E","2014","70","1","i4","","10.1107/S1600536813033680","","","0.71073","MoKα","","0.0187","0.0181","","","0.0427","0.0429","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239180","8.017","0.007","11.734","0.009","16.131","0.013","90","","90","","90","","1517","2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","CV5436","Meng, Xiangchao; Duan, Wenzeng; Han, Yinfeng","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","Acta Crystallographica Section E","2014","70","1","o18","","10.1107/S1600536813032595","","","0.71073","MoKα","","0.0483","0.0376","","","0.0798","0.0844","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239181","9.6451","0.001","10.9491","0.0012","13.8425","0.0015","78.07","0.02","79.08","0.02","76.76","0.02","1376.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","Triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide‒1,1,2,2-tetrafluoro-1,2-diiodoethane (1/1)","","- C27 H18 Br F8 I2 P -","- C27 H18 Br F8 I2 P -","- C54 H36 Br2 F16 I4 P2 -","2","1","QK2057","Cavallo, Gabriella; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","The 1:1 co-crystal of triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide and 1,1,2,2-tetrafluoro-1,2-diiodoethane","Acta Crystallographica Section E","2014","70","1","o9","o10","10.1107/S1600536813032522","","","0.71073","MoKα","","0.0353","0.0298","","","0.075","0.0772","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239182","12.869","0.003","19.445","0.004","8.3702","0.0018","90","","100.28","0.004","90","","2060.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol","","- C21 H26 O2 S Se -","- C21 H26 O2 S Se -","- C84 H104 O8 S4 Se4 -","4","1","","Wu, Jinglan; Chen, Chen","(E)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol","Acta Crystallographica Section E","2014","70","1","o8","","10.1107/S1600536813032182","","","0.71073","MoKα","","0.1131","0.0859","","","0.2189","0.2302","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239183","7.84207","0.00014","14.2305","0.0003","27.6218","0.0005","90","","90","","90","","3082.5","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(4-Methylpiperazin-1-yl)-(2,3,4-trimethoxybenzylidene)amine","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","HG5389","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, H.S.","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","Acta Crystallographica Section E","2014","70","4","o500","","10.1107/S1600536814006291","","","1.54184","CuKα","","0.0443","0.0395","","","0.1089","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239184","9.679","0.0004","7.071","0.0003","17.3117","0.0007","90","","94.872","0.002","90","","1180.54","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 Br N2 O4 -","- C25 H33 Br N2 O4 -","- C50 H66 Br2 N4 O8 -","2","1","BT6970","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","12-{[4-(4-Bromophenyl)piperazin-1-yl]methyl}-9α-hydroxy-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","4","o497","o498","10.1107/S1600536814006473","","","0.71073","MoKα","","0.0357","0.0295","","","0.0737","0.0757","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239185","8.0083","0.0004","10.2948","0.0006","11.7481","0.0006","90","","99.733","0.001","90","","954.62","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diammonium [diaqua(μ~7~-benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]","","- C12 H12 N2 O18 U2 -","- C12 H12 N2 O18 U2 -","- C24 H24 N4 O36 U4 -","2","0.5","","Cantos, Paula M.; Cahill, Christopher L.","Poly[diammonium [diaqua(μ~7~-benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]","Acta Crystallographica Section E","2014","70","4","m142","m143","10.1107/S1600536814006047","","","0.71073","MoKα","","0.0213","0.0166","","","0.0333","0.0347","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239186","8.347","0.003","7.063","0.003","39.946","0.016","90","","90","","90","","2355","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Chen, Jingjing; Yuan, Jianchao; Zhao, Jie; Xu, Weibing; Mu, Yanqiong","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","Acta Crystallographica Section E","2014","70","4","o455","","10.1107/S1600536814005686","","","0.71073","MoKα","","0.1316","0.0691","","","0.1146","0.135","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239187","11.5763","0.0003","11.3417","0.0003","9.316","0.0002","90","","90","","90","","1223.14","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","catena-Poly[[di-tert-butyltin(IV)]-μ-oxalato]","","- C10 H18 O4 Sn -","- C10 H18 O4 Sn -","- C40 H72 O16 Sn4 -","4","0.5","CQ2010","Reichelt, Martin; Reuter, Hans","catena-Poly[[di-tert-butyltin(IV)]-μ-oxalato]","Acta Crystallographica Section E","2014","70","4","m133","","10.1107/S160053681400539X","","","0.71073","MoKα","","0.0178","0.0154","","","0.0366","0.0375","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239188","9.4964","0.0004","28.6497","0.0013","9.9511","0.0004","90","","96.727","0.004","90","","2688.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","FY2104","Gao, Yan-Jiao; Ma, Jie; Zheng, Xiao","(4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","4","o419","o420","10.1107/S1600536814003638","","","0.71073","MoKα","","0.0665","0.0481","","","0.1096","0.1225","","","","","","1.025","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2239189","11.1667","0.0002","7.74","0.0001","18.4736","0.0003","90","","98.683","0.001","90","","1578.38","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-b]furan","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","ZQ2218","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-b]furan","Acta Crystallographica Section E","2014","70","4","o416","","10.1107/S1600536814005157","","","0.71073","MoKα","","0.0485","0.042","","","0.1118","0.1172","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239190","8.203","0.0003","14.3203","0.0005","11.8477","0.0004","90","","105.016","0.004","90","","1344.22","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","","- C15 H10 Cl2 N2 O -","- C15 H10 Cl2 N2 O -","- C60 H40 Cl8 N8 O4 -","4","1","ZS2289","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, Hemmige S.; Siddegowda, Maravanahalli S.","6-Chloro-2-chloromethyl-4-phenylquinazoline 3-oxide","Acta Crystallographica Section E","2014","70","4","o440","o441","10.1107/S1600536814005303","","","0.71073","MoKα","","0.0503","0.0379","","","0.0911","0.0998","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239191","8.8109","0.0013","12.7222","0.0016","13.1696","0.0014","66.227","0.006","73.797","0.006","88.068","0.009","1292.1","0.3","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-N-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide; 2,4,6-tris(pyridin-2-yl)-1,3,5-triazine","","- C27 H21 N9 O2 S2 -","- C27 H21 N9 O2 S2 -","- C54 H42 N18 O4 S4 -","2","1","","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-N-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide‒2,4,6-tris(pyridin-2-yl)-1,3,5-triazine (1/1)","Acta Crystallographica Section E","2014","70","4","o402","o403","10.1107/S1600536814004838","","","0.71073","MoKα","","0.0472","0.0435","","","0.0847","0.0869","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239192","8.2438","0.0013","16.405","0.002","8.8561","0.0014","90","","110.705","0.002","90","","1120.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Chloro-4-(2-hydroxyethylamino)quinolin-1-ium chloride","","- C11 H12 Cl2 N2 O -","- C11 H12 Cl2 N2 O -","- C44 H48 Cl8 N8 O4 -","4","1","","Gama, Ivson L.; de Souza, Marcus V. N.; Wardell, James L.; Tiekink, Edward R. T.","7-Chloro-4-(2-hydroxyethylamino)quinolin-1-ium chloride","Acta Crystallographica Section E","2014","70","4","o385","o386","10.1107/S1600536814004565","","","0.71075","MoKα","","0.038","0.03","","","0.073","0.0761","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239193","10.948","0.0003","11.8207","0.0003","10.5027","0.0004","90","","90","","90","","1359.19","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","Tetrachlorocarbene γ-terpinene","(1S*,3R*,5S*,7S*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","","- C12 H16 Cl4 -","- C12 H16 Cl4 -","- C48 H64 Cl16 -","4","1","LD2121","Turdybekov, Koblandy M.; Ryazantsev, Oleg G.; Atazhanova, Gayane A.; Adekenov, Sergazy M.","(1S*,3R*,5S*,7S*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane","Acta Crystallographica Section E","2014","70","4","o417","","10.1107/S1600536814004826","","","0.71073","MoKα","","0.0254","0.023","","","0.0524","0.0535","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239194","9.2686","0.0019","9.6491","0.0019","11.082","0.002","96.48","0.03","97.81","0.03","97.97","0.03","963.6","0.4","298","2","298","","","","","","","","","7","P -1","-P 1","2","","μ-Oxido-bis[hydridotris(trimethylphosphane-\ κP)iridium(III)](Ir—Ir) bis(tetrafluoridoborate) dihydrate","","- C18 H60 B2 F8 Ir2 O3 P6 -","- C18 H60 B2 F8 Ir2 O3 P6 -","- C18 H60 B2 F8 Ir2 O3 P6 -","1","0.5","PK2518","Merola, Joseph; Husebo, Trang Le","μ-Oxido-bis[hydridotris(trimethylphosphane-κP)iridium(III)](Ir—Ir) bis(tetrafluoridoborate) dihydrate","Acta Crystallographica Section E","2014","70","4","m122","m123","10.1107/S160053681400453X","","","0.71073","MoKα","","0.0419","0.0344","","","0.0807","0.0858","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239195","8.66858","0.00016","21.82","0.0004","10.41956","0.00018","90","","108.171","0.0019","90","","1872.56","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C96 H80 N8 O4 S4 -","4","2","BT6971","Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; Yathirajan, H. S.; Byrappa, K.","{2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","4","o501","o502","10.1107/S1600536814006345","","","1.54184","CuKα","","0.0408","0.0379","","","0.0955","0.0981","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239196","7.74","0.0009","20.278","0.003","9.6257","0.0012","90","","105.121","0.008","90","","1458.5","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Phenylpiperazine-1,4-diium tetrachloridocobalt(II)","","- C10 H16 Cl4 Co N2 -","- C10 H16 Cl4 Co N2 -","- C40 H64 Cl16 Co4 N8 -","4","1","","Dhieb, Abdelhamid Chiheb; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","1-Phenylpiperazine-1,4-diium tetrachloridocobalt(II)","Acta Crystallographica Section E","2014","70","4","m139","","10.1107/S1600536814005790","","","0.71075","MoKα","","","0.0232","","","","0.0537","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239197","7.1874","0.0003","21.1475","0.0008","26.5106","0.001","90","","91.407","0.004","90","","4028.3","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium chloride dihydrate","","- C19 H27 Cl F N3 O5 -","- C19 H27 Cl F N3 O5 -","- C152 H216 Cl8 F8 N24 O40 -","8","2","IS5348","Miranda-Calderón, Jorge E.; Gutiérrez, Lilia; Flores-Alamo, Marcos; García-Gutiérrez, Ponciano; Sumano, Héctor","Enrofloxacin hydrochloride dihydrate","Acta Crystallographica Section E","2014","70","4","o468","o469","10.1107/S1600536814006059","","","0.71073","MoKα","","0.111","0.0581","","","0.1088","0.1319","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239198","9.2879","0.0002","39.273","0.0011","10.5592","0.0003","90","","90","","90","","3851.61","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","1,3,5-Tris(phthalimidomethyl)-2,4,6-tris(bromomethyl)benzene toluene monosolvate","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","","- C43 H32 Br3 N3 O6 -","- C43 H32 Br3 N3 O6 -","- C172 H128 Br12 N12 O24 -","4","1","","Koch, Niklas; Seichter, Wilhelm; Mazik, Monika","2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate","Acta Crystallographica Section E","2014","70","4","o393","o394","10.1107/S1600536814004383","","","0.71073","MoKα","","0.0296","0.0258","","","0.0565","0.0574","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239199","9.2899","0.0003","10.6863","0.0004","11.7826","0.0005","77.046","0.003","70.78","0.003","88.93","0.004","1074.47","0.07","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","SU2716","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone","Acta Crystallographica Section E","2014","70","4","o505","","10.1107/S1600536814006606","","","0.71073","MoKα","","0.0552","0.0441","","","0.1195","0.127","","","","","","1.139","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239200","14.325","0.003","4.776","0.001","11.619","0.002","90","","103.82","0.03","90","","771.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-nitroso-N-pentylhydroxylaminato-κ^2^O,O')copper(II)","","- C10 H22 Cu N4 O4 -","- C10 H22 Cu N4 O4 -","- C20 H44 Cu2 N8 O8 -","2","0.5","PJ2009","Sheikh Bostanabad, Ali; Kovalchukova, Olga; Strashnova, Svetlana; Stash, Adam; Zyuzin, Igor","Bis(N-nitroso-N-pentylhydroxylaminato-κ^2^O,O')copper(II)","Acta Crystallographica Section E","2014","70","4","m137","m138","10.1107/S1600536814004978","","","0.71073","MoKα","","0.1319","0.0255","","","0.0664","0.0729","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239201","7.4406","0.0001","9.1291","0.0002","11.2073","0.0002","82.891","0.001","73.301","0.001","77.613","0.001","710.62","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 F O3 S -","- C16 H13 F O3 S -","- C32 H26 F2 O6 S2 -","2","1","BG2523","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o482","","10.1107/S1600536814006321","","","0.71073","MoKα","","0.0418","0.0371","","","0.099","0.1028","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239202","7.3921","0.0002","10.2909","0.0003","11.8701","0.0003","68.867","0.001","89.146","0.001","71.361","0.001","792.91","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","FJ2667","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o461","","10.1107/S1600536814005844","","","0.71073","MoKα","","0.0325","0.0285","","","0.0733","0.0755","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239203","7.1825","0.0009","17.9973","0.0015","19.41","0.003","90","","90","","90","","2509","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dimethylammonium copper sulfate tetrahydrate","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","","- C2 H17 Cu N O12 S2 -","- C2 H17 Cu N O12 S2 -","- C16 H136 Cu8 N8 O96 S16 -","8","1","WM5006","Held, Peter","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","Acta Crystallographica Section E","2014","70","4","m119","","10.1107/S1600536814004486","","","0.71073","MoKα","","0.0921","0.032","","","0.0753","0.0917","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239204","13.5738","0.0016","14.1207","0.0015","15.8419","0.0016","79.847","0.004","76.873","0.005","65.904","0.005","2687.5","0.5","147","2","147","2","","","","","","","","9","P -1","-P 1","2","","Bromido{N,N'-bis[2-(diphenylphosphanyl)ethan-1-ylidene]ethylenediamine}(p-toluenesulfonylmethyl isocyanide)iron(II) tetraphenylborate","","- C63 H59 B Br Fe N3 O2 P2 S -","- C63 H59 B Br Fe N3 O2 P2 S -","- C126 H118 B2 Br2 Fe2 N6 O4 P4 S2 -","2","1","IS5347","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","{N,N'-Bis[2-(diphenylphosphanyl)ethan-1-ylidene]ethylenediamine}bromido(p-toluenesulfonylmethyl isocyanide)iron(II) tetraphenylborate","Acta Crystallographica Section E","2014","70","4","m144","","10.1107/S1600536814005467","","","1.54178","CuKα","","0.0407","0.0335","","","0.0823","0.0864","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239205","5.3651","0.0003","24.7207","0.0015","8.684","0.0005","90","","90.17","0.002","90","","1151.75","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Glycinium 3-carboxy-4-hydroxybenzenesulfonate","","- C9 H11 N O8 S -","- C9 H11 N O8 S -","- C36 H44 N4 O32 S4 -","4","1","IS5343","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Glycinium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2014","70","4","o397","","10.1107/S1600536814004590","","","0.71073","MoKα","","0.0563","0.0492","","","0.1132","0.1166","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239206","8.6","0.005","5.728","0.003","22.288","0.012","90","","100.646","0.006","90","","1079","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(pyrazin-2-yl-κN^1^)-3-(pyridin-3-yl)-1,2,4-triazolido-κN^1^]zinc","","- C22 H18 N12 O2 Zn -","- C22 H18 N12 O2 Zn -","- C44 H36 N24 O4 Zn2 -","2","0.5","","Wang, Ye-Nan; Dong, Wen-Wen","Diaquabis[5-(pyrazin-2-yl-κN^1^)-3-(pyridin-3-yl)-1,2,4-triazolido-κN^1^]zinc","Acta Crystallographica Section E","2014","70","4","m116","","10.1107/S1600536814004176","","","0.71073","MoKα","","0.0396","0.0367","","","0.1067","0.1096","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239207","9.6137","0.0008","10.9317","0.0009","8.4911","0.0007","90","","102.522","0.002","90","","871.14","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","ZQ2217","Pearson, Wayne H.; Lin, Shirley; Isaacs, Lyle","2,5-Dioxopyrrolidin-1-yl 2-methylprop-2-enoate","Acta Crystallographica Section E","2014","70","4","o446","","10.1107/S1600536814005170","","","0.71073","MoKα","","0.045","0.0362","","","0.0797","0.0848","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239208","8.928","0.0002","10.5695","0.0003","21.062","0.0005","90","","92.165","0.002","90","","1986.09","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate","","- C11 H30 B11 N3 -","- C11 H30 B11 N3 -","- C44 H120 B44 N12 -","4","1","LR2122","Juhasz, Marcus A.; Juers, Douglas H.; Dwulet, Gregory E.; Rosenbaum, Aaron J.","Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate","Acta Crystallographica Section E","2014","70","4","o411","o412","10.1107/S1600536814004759","","","1.5418","CuKα","","0.0482","0.0417","","","0.115","0.1233","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239209","18.7483","0.0008","15.0824","0.0007","12.1143","0.0006","90","","100.202","0.002","90","","3371.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-amino-N-(4-methylpyrimidin-2-yl-κN^3^)benzenesulfonamidato-κN](2,2'-bipyridine-κ^2^N,N')mercury(II)","","- C32 H30 Hg N10 O4 S2 -","- C32 H30 Hg N10 O4 S2 -","- C128 H120 Hg4 N40 O16 S8 -","4","0.5","HB7201","Hossain, G. M. Golzar; Amoroso, A. J.","Bis[4-amino-N-(4-methylpyrimidin-2-yl-κN^3^)benzenesulfonamidato-κN](2,2'-bipyridine-κ^2^N,N')mercury(II)","Acta Crystallographica Section E","2014","70","4","m127","m128","10.1107/S1600536814004760","","","0.71073","MoKα","","0.0498","0.0392","","","0.0712","0.0739","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239210","21.5717","0.0017","6.1097","0.0005","17.0838","0.0014","90","","93.222","0.0017","90","","2248","0.3","100","0.5","100","0.5","","","","","","","","5","C 1 2 1","C 2y","5","weixch01","Bis{(R)-N-[(R)-2-benzyloxy-1-(4-tert-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","","- C23 H34 N O2.5 S -","- C23 H34 N O2.5 S -","- C92 H136 N4 O10 S4 -","4","1","GK2604","Humes, Charlotte L.; Banker, Tyler J.; Dorn, Stephanie C. M.; Shanahan, James P.; Brennessel, William W.; Weix, Daniel J.","Bis{(R)-N-[(R)-2-benzyloxy-1-(4-tert-butylphenyl)ethyl]-2-methylpropane-2-sulfinamide} monohydrate","Acta Crystallographica Section E","2014","70","4","o405","o406","10.1107/S1600536814004589","","","0.71073","MoKα","","0.0741","0.0504","","","0.0999","0.1101","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239211","9.583","0.0009","10.2662","0.0008","13.3792","0.0016","94.648","0.012","91.548","0.013","108.013","0.01","1245.7","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","7-Isopropylidene-N^2^,N^3^,N^5^,N^6^-tetramethoxy-N^2^,N^3^,N^5^,N^6^-tetramethylbicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxamide","","- C22 H32 N4 O8 -","- C22 H32 N4 O8 -","- C44 H64 N8 O16 -","2","1","","Sahlmann, Benjamin; Näther, Christian; Herges, Rainer","7-Isopropylidene-N^2^,N^3^,N^5^,N^6^-tetramethoxy-N^2^,N^3^,N^5^,N^6^-tetramethylbicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2014","70","4","o438","","10.1107/S1600536814004255","","","0.71073","MoKα","","0.0683","0.0446","","","0.1085","0.1194","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239212","12.0523","0.0015","6.6997","0.0008","23.918","0.003","90","","91.018","0.002","90","","1931","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Ferrocenyl-6-(3-nitrophenyl)quinoline","","- C25 H18 Fe N2 O2 -","- C25 H18 Fe N2 O2 -","- C100 H72 Fe4 N8 O8 -","4","1","FJ2663","Yuan, Xiao-Er; Shi, Guo-Qing; Geng, Xin; Hao, Xin-Qi; Song, Mao-Ping","2-Ferrocenyl-6-(3-nitrophenyl)quinoline","Acta Crystallographica Section E","2014","70","4","m129","","10.1107/S1600536814004899","","","0.71073","MoKα","","0.0572","0.0373","","","0.0814","0.0922","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239213","5.4427","0.0007","8.2488","0.001","12.4701","0.0014","98.901","0.009","92.04","0.01","91.69","0.01","552.41","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-{[(Furan-2-ylmethyl)imino]methyl}-4-nitrophenol","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","LH5694","Hijji, Yousef; Azemati, Samira; Butcher, Ray J.; Jasinski, Jerry P.","(E)-2-{[(Furan-2-ylmethyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2014","70","4","o451","o452","10.1107/S1600536814005583","","","1.54178","CuKα","","0.0439","0.0416","","","0.1184","0.122","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239214","21.0215","0.0015","5.6564","0.0005","28.785","0.002","90","","110.543","0.003","90","","3205.1","0.4","147","2","147","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","2","IS5346","Koh, Dongsoo; Lim, Yoongho; Lough, Alan J.","3-Methoxy-2-[5-(naphthalen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol","Acta Crystallographica Section E","2014","70","4","o464","","10.1107/S1600536814005972","","","1.54178","CuKα","","0.0424","0.0365","","","0.0941","0.0971","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239215","4.984","0.002","11.598","0.005","14.578","0.008","90","","98.387","0.002","90","","833.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl","","- C18 H20 Cl2 O2 -","- C18 H20 Cl2 O2 -","- C36 H40 Cl4 O4 -","2","0.5","","Trad, Hager; Belkhiria, Mohamed Salah; Majdoub, Mustapha","3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl","Acta Crystallographica Section E","2014","70","4","o387","","10.1107/S1600536814004528","","","0.71073","MoKα","","0.0957","0.0484","","","0.1331","0.1485","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239216","6.2336","0.0001","11.0353","0.0002","12.9149","0.0002","69.384","0.001","76.421","0.001","76.799","0.001","797.84","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","BX2455","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o435","","10.1107/S1600536814005352","","","0.71073","MoKα","","0.029","0.026","","","0.068","0.0697","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239217","6.6088","0.0006","10.1483","0.0008","26.813","0.002","90","","90","","90","","1798.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-{(3R,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","","- C18 H26 N6 O2 -","- C18 H26 N6 O2 -","- C72 H104 N24 O8 -","4","1","","Gehringer, Matthias; Pfaffenrot, Ellen; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan A.","2-(3-{(3R,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","Acta Crystallographica Section E","2014","70","4","o382","o383","10.1107/S1600536814004449","","","0.71073","MoKα","","0.1784","0.0623","","","0.1132","0.1504","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239218","18.7514","0.0003","9.608","0.00015","18.4367","0.0003","90","","105.245","0.0016","90","","3204.73","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenyltellurium chloride","","- C18 H15 Cl Te -","- C18 H15 Cl Te -","- C144 H120 Cl8 Te8 -","8","2","JJ2184","Chopra, Ambika; Jain, Shalini; Srivastava, Sanjay K.; Gupta, Sushil K.; Butcher, Ray J.","Triphenyltellurium chloride","Acta Crystallographica Section E","2014","70","4","o421","o422","10.1107/S160053681400498X","","","1.54184","CuKα","","0.0392","0.0336","","","0.075","0.0773","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239219","12.49","0.0007","14.0338","0.0008","14.5693","0.0009","73.389","0.005","76.324","0.005","78.609","0.005","2354.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diisopropyl [(4-methoxybenzamido)(p-tolyl)methyl]phosphonate","","- C22 H30 N O5 P -","- C22 H30 N O5 P -","- C88 H120 N4 O20 P4 -","4","2","LH5691","Fang, Hua; Wang, Guang-Qin; Chen, Wei-Zhu; Yi, Rui-Zao; Hong, Zhuan","Diisopropyl [(4-methoxybenzamido)(p-tolyl)methyl]phosphonate","Acta Crystallographica Section E","2014","70","4","o428","","10.1107/S1600536814004413","","","0.71073","MoKα","","0.1112","0.0666","","","0.1875","0.2372","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239220","8.197","0.002","8.4527","0.0015","11.835","0.003","88.774","0.001","85.484","0.003","76.422","0.002","794.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(Z)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-b][1,4]dioxine","","- C17 H18 O5 S -","- C17 H18 O5 S -","- C34 H36 O10 S2 -","2","1","","Liu, Yu-Tao; Chu, Gang","(Z)-5-(3,4,5-Trimethoxystyryl)-2,3-dihydrothieno[3,4-b][1,4]dioxine","Acta Crystallographica Section E","2014","70","4","o384","","10.1107/S1600536814004437","","","0.71073","MoKα","","0.0696","0.0658","","","0.1743","0.1794","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239221","13.9256","0.0015","10.3003","0.001","21.8075","0.0019","90","","107.734","0.002","90","","2979.4","0.5","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(μ-nitrato-κ^2^O:O)bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane-κ^2^P,P']silver(I)} dichloromethane disolvate","","- C30 H80 Ag2 B20 Cl4 N2 O6 P4 -","- C30 H80 Ag2 B20 Cl4 N2 O6 P4 -","- C60 H160 Ag4 B40 Cl8 N4 O12 P8 -","2","0.5","RZ5111","Yang, Liguo","Bis(μ-nitrato-κ^2^O:O)bis{[1,2-bis(diisopropylphosphanyl)-1,2-dicarba-closo-dodecaborane-κ^2^P,P']silver(I)} dichloromethane disolvate","Acta Crystallographica Section E","2014","70","4","m141","","10.1107/S1600536814006084","","","0.71073","MoKα","","0.0571","0.0341","","","0.0754","0.0911","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239222","9.41","0.005","12.064","0.005","14.804","0.004","90","","109.01","0.02","90","","1588.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1H-indazole)","","- C16 H12 N6 O4 -","- C16 H12 N6 O4 -","- C64 H48 N24 O16 -","4","1","RZ5107","Kouakou, Assoman; Rakib, El Mostapha; El Malki, Abdelghani; Saadi, Mohamed; El Ammari, Lahcen","6,6'-Dinitro-1,1'-(ethane-1,2-diyl)di(1H-indazole)","Acta Crystallographica Section E","2014","70","4","o390","","10.1107/S1600536814004516","","","0.71073","MoKα","","0.0561","0.0394","","","0.0996","0.1108","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239223","5.5609","0.0002","9.2012","0.0004","9.2305","0.0004","90.245","0.002","98.5","0.002","100.038","0.002","459.74","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-nitropyridinium hydrogen oxalate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C14 H14 N6 O12 -","2","1","JJ2183","Rajkumar, M. Ambrose; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Prem Anand; NizamMohideen, M.","2-Amino-5-nitropyridinium hydrogen oxalate","Acta Crystallographica Section E","2014","70","4","o473","o474","10.1107/S160053681400525X","","","0.71073","MoKα","","0.0442","0.0387","","","0.1021","0.11","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239224","11.91","0.004","3.85","0.0012","20.817","0.006","90","","95.69","0.03","90","","949.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,8-Dibromo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H4 Br2 O3 -","- C10 H4 Br2 O3 -","- C40 H16 Br8 O12 -","4","1","","Ishikawa, Yoshinobu","6,8-Dibromo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","4","o439","","10.1107/S1600536814005327","","","0.71069","MoKα","","","0.0191","","","","0.0446","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239225","9.1927","0.0005","12.4711","0.0007","18.9806","0.0011","90","","90","","90","","2176","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N^1^,N^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","0.5","XU5776","Ohno, Keiji; Fujihara, Takashi; Nagasawa, Akira","An orthorhombic polymorph of N^1^,N^4^-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","4","o495","o496","10.1107/S1600536814006254","","","0.71073","MoKα","","0.0521","0.0463","","","0.1281","0.1326","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239226","14.5354","0.0002","7.3529","0.0001","18.1945","0.0003","90","","98.591","0.001","90","","1922.76","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-3-[(R)-2-phenylbutanamido]quinazolin-4(3H)-one monohydrate","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Jones, D. Heulyn; Kariuki, Benson M.","2-Ethyl-3-[(R)-2-phenylbutanamido]quinazolin-4(3H)-one monohydrate","Acta Crystallographica Section E","2014","70","4","o467","","10.1107/S1600536814005996","","","1.54184","CuKα","","0.0448","0.0399","","","0.1106","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239227","18.2293","0.0007","6.1955","0.0003","15.9471","0.0008","90","","90","","90","","1801.06","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","1","LD2123","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o481","","10.1107/S1600536814006187","","","0.71073","MoKα","","0.0517","0.0446","","","0.108","0.1131","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239228","11.7213","0.0004","11.8991","0.0004","7.3025","0.0003","90","","103.523","0.001","90","","990.26","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-methylsulfanyl-6-nitro-1H-benzimidazole","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C36 H36 N12 O8 S4 -","4","1","TK5298","El Ghozlani, Mohamed; Rakib, El Mostapha; Medaghri-Alaoui, Abdelouahid; Saadi, Mohamed; El Ammari, Lahcen","1-Methyl-2-methylsulfanyl-6-nitro-1H-benzimidazole","Acta Crystallographica Section E","2014","70","4","o407","","10.1107/S1600536814004723","","","0.71073","MoKα","","0.0462","0.0386","","","0.1079","0.1156","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239229","10.5563","0.001","5.7548","0.0005","11.7096","0.0013","90","","92.777","0.008","90","","710.52","0.12","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,3S,8R,9S,10R)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H26 O -","- C16 H26 O -","- C32 H52 O2 -","2","1","","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1S,3S,8R,9S,10R)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2014","70","4","o480","","10.1107/S1600536814006230","","","0.71073","MoKα","","0.085","0.054","","","0.0867","0.1049","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239230","9.0481","0.0002","10.5301","0.0002","10.6312","0.0002","106.025","0.001","92.561","0.001","110.852","0.001","898.19","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C21 H21 F O3 S -","- C21 H21 F O3 S -","- C42 H42 F2 O6 S2 -","2","1","ZS2290","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-(2-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o466","","10.1107/S1600536814005960","","","0.71073","MoKα","","0.0442","0.0395","","","0.1051","0.109","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239231","6.1743","0.0004","7.0512","0.0003","14.2222","0.0008","101.727","0.003","92.191","0.002","104.758","0.004","583.6","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-Carboxylatopyridinium‒4-nitrophenol (1/1)","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C24 H20 N4 O10 -","2","1","HB7209","Sankar, A.; Ambalatharasu, S.; Peramaiyan, G.; Chakkaravarthi, G.; Kanagadurai, R.","2-Carboxylatopyridinium‒4-nitrophenol (1/1)","Acta Crystallographica Section E","2014","70","4","o450","","10.1107/S1600536814005650","","","0.71073","MoKα","","0.0693","0.0447","","","0.1141","0.13","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239232","10.35","0.002","13.916","0.003","14.34","0.003","65.785","0.004","73.421","0.004","87.213","0.005","1799.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4H-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate","","- C12 H11.33 B N O5.67 -","- C12 H11.3333 B N O5.66667 -","- C72 H68 B6 N6 O34 -","6","3","","Garcia-Grajeda, Blanca A.; Höpfl, Herbert; Guerrero-Alvarez, Jorge A.; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4H-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate","Acta Crystallographica Section E","2014","70","4","o388","o389","10.1107/S1600536814004267","","","0.71073","MoKα","","0.1153","0.053","","","0.0855","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239233","9.26395","0.00015","14.2886","0.0002","13.6476","0.0002","90","","96.7581","0.0015","90","","1793.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(2-Hydroxy-benzylidene)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl}- phenyl-methanone","{2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","SJ5393","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H.S.; Byrappa, K.","{2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","4","o476","o477","10.1107/S1600536814006199","","","1.54184","CuKα","","0.0531","0.0491","","","0.1367","0.1419","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239234","17.3871","0.0007","12.5318","0.0005","8.4297","0.0003","90","","99.103","0.002","90","","1813.63","0.12","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Devarajegowda, H. C.; Palakshamurthy, B. S.; Manojkumar, K. E.; Sreenivasa, S.","tert-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate","Acta Crystallographica Section E","2014","70","4","o415","","10.1107/S160053681400511X","","","0.71073","MoKα","","0.0478","0.0381","","","0.1075","0.1128","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239235","26.691","0.004","7.5135","0.0007","19.361","0.002","90","","125.412","0.008","90","","3164.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N''-(4-Methoxyphenyl)-N,N,N'-trimethyl-N'-phenylguanidine","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C136 H168 N24 O8 -","8","1","KP2467","Tiritiris, Ioannis; Frey, Wolfgang; Kantlehner, Willi","N''-(4-Methoxyphenyl)-N,N,N'-trimethyl-N'-phenylguanidine","Acta Crystallographica Section E","2014","70","4","o460","","10.1107/S1600536814005819","","","0.71073","MoKα","","0.0745","0.0547","","","0.1481","0.1609","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239236","13.6796","0.0013","9.6144","0.0008","14.8093","0.0015","90","","98.305","0.003","90","","1927.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-(5-bromothiophen-2-yl)-1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethyl-1H-benzimidazole","","- C18 H13 Br3 N2 S2 -","- C18 H13 Br3 N2 S2 -","- C72 H52 Br12 N8 S8 -","4","1","RZ5112","Geiger, H. Cristina; Donohoe, James S.; Geiger, David K.","4-Bromo-2-(5-bromothiophen-2-yl)-1-[(5-bromothiophen-2-yl)methyl]-5,6-dimethyl-1H-benzimidazole","Acta Crystallographica Section E","2014","70","4","o486","o487","10.1107/S160053681400628X","","","0.71073","MoKa","","0.0739","0.0557","","","0.1675","0.1793","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239237","19.487","0.002","18.049","0.003","25.216","0.002","90","","100.22","0.03","90","","8728","2","295","","295","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Bis[tris(phenanthroline-κ^2^N,N')cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate","","- C72 H52 Co2 N12 O42 P V W11 -","- C72 H52 Co2 N12 O42 P V W11 -","- C288 H208 Co8 N48 O168 P4 V4 W44 -","4","0.5","HB7203","Hajsalem, Assia; Aoun, Sameh; Planchat, Aurelien; Rzaigui, Mohamed; Toumi, Samah Akriche","Bis[tris(phenanthroline-κ^2^N,N')cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate","Acta Crystallographica Section E","2014","70","4","m125","m126","10.1107/S160053681400484X","","","0.71073","MoKα","","0.0865","0.0536","","","0.0859","0.095","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239238","17.2597","0.0006","13.5463","0.0004","18.9683","0.0007","90","","90","","90","","4434.9","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(2-chlorobenzoyl)-N-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","","- C24 H17 Cl2 N3 O3 -","- C24 H17 Cl2 N3 O3 -","- C192 H136 Cl16 N24 O24 -","8","1","BT6969","Bakare, Oladapo; Thompson, Candice; Brandy, Yakini; Butcher, Ray J.","2-Chloro-N-(2-chlorobenzoyl)-N-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","Acta Crystallographica Section E","2014","70","4","o503","o504","10.1107/S1600536814006035","","","0.71073","MoKα","","0.2096","0.0438","","","0.058","0.0788","","","","","","0.771","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239239","7.1072","0.0007","8.812","0.0008","10.433","0.0009","106.501","0.009","105.361","0.009","102.756","0.008","572.31","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Disodium dimanganese(II) tris[orthomolybdate(VI)]","","- Mn2.17 Mo3 Na1.67 O12 -","- Mn2.171 Mo3 Na1.67 O12 -","- Mn4.342 Mo6 Na3.34 O24 -","2","1","WM5009","Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed; Frigui, Wafa","Na1.67Mn2.17(MoO4)3","Acta Crystallographica Section E Structure Reports Online","2014","70","4","i18","","10.1107/S160053681400614X","","","0.71073","MoKα","","0.0353","0.0298","","","0.0801","0.0829","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239240","8.3976","0.0006","13.7584","0.0009","21.7971","0.0012","90","","90","","90","","2518.4","0.3","295","2","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","","- C28 H22 N2 O8 S -","- C28 H22 N2 O8 S -","- C112 H88 N8 O32 S4 -","4","1","RK2423","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","4","o424","o425","10.1107/S1600536814005133","","","0.71073","MoKα","","0.0666","0.0427","","","0.1018","0.1146","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239241","7.3023","0.0007","14.4031","0.0017","12.6422","0.0013","90","","94.842","0.003","90","","1324.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-(3-Fluoropyridin-2-yl)methylidene]pyridine-3-carbohydrazide dihydrate","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Nair, Yamuna; Sithambaresan, M.; Nair, S. Muraleedharan; Kurup, M. R. Prathapachandra","N'-[(E)-(3-Fluoropyridin-2-yl)methylidene]pyridine-3-carbohydrazide dihydrate","Acta Crystallographica Section E","2014","70","4","o483","o484","10.1107/S1600536814006072","","","0.71073","MoKα","","0.0677","0.0481","","","0.1302","0.149","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239242","22.006","0.002","22.006","0.002","23.276","0.002","90","","90","","120","","9761.6","1.5","110","2","110","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","Tetra-μ~3~-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)]","","- C48 H108 Cu4 I4 P4 -","- C48 H108 Cu4 I4 P4 -","- C288 H648 Cu24 I24 P24 -","6","1","HP2064","Klenk, Simon; Frey, Wolfgang; Bubrin, Martina; Laschat, Sabine","Tetra-μ~3~-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)]","Acta Crystallographica Section E","2014","70","4","m117","m118","10.1107/S1600536814003390","","","0.71073","MoKα","","0.0755","0.0459","","","0.0887","0.0986","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239243","8.793","0.005","9.229","0.005","10.861","0.006","86.105","0.016","69.582","0.017","80.55","0.016","814.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C36 H34 Br2 O4 S2 -","2","1","XU5773","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o381","","10.1107/S1600536814004310","","","0.71073","MoKα","","0.0726","0.0621","","","0.1631","0.1771","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239244","10.6534","0.0002","11.6791","0.0002","12.5591","0.0002","68.488","0.001","86.537","0.001","86.693","0.001","1450.06","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","5,8-Bis(dipyridin-2-ylamino)-s-heptazin-2-one dimethyl sulfoxide monosolvate dihydrate","5,8-Bis[bis(pyridin-2-yl)amino]-1,3,4,6,7,9,9b-heptaazaphenalen-2(1H)-one dimethyl sulfoxide monosolvate dihydrate","","- C28 H27 N13 O4 S -","- C28 H27 N13 O4 S -","- C56 H54 N26 O8 S2 -","2","1","SU2711","Schwarzer, Anke; Kroke, Edwin","5,8-Bis[bis(pyridin-2-yl)amino]-1,3,4,6,7,9,9b-heptaazaphenalen-2(1H)-one dimethyl sulfoxide monosolvate dihydrate","Acta Crystallographica Section E","2014","70","4","o456","o457","10.1107/S1600536814005698","","","0.71073","MoKα","","0.0591","0.0393","","","0.1047","0.1152","","","","","","0.967","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239245","14.799","0.004","9.606","0.003","22.492","0.006","90","","98.736","0.005","90","","3160.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one","","- C20 H15 N O S -","- C20 H15 N O S -","- C160 H120 N8 O8 S8 -","8","1","FY2112","Yennawar, Hemant P.; Bendinsky, Ryan V.; Coyle, David J.; Cali, Aaron S.; Silverberg, Lee J.","2,3-Diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one","Acta Crystallographica Section E","2014","70","4","o465","","10.1107/S1600536814005881","","","0.71073","MoKα","","0.0606","0.0506","","","0.1205","0.1268","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239246","6.628","0.007","11.029","0.018","12.544","0.018","105.34","0.12","96.94","0.1","95.88","0.1","869","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-3,4,5-Trimethoxy-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C40 H36 N4 O12 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(E)-3,4,5-Trimethoxy-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","4","o472","","10.1107/S1600536814005753","","","0.71069","MoKα","","","0.0684","","","","0.208","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239247","9.447","0.0007","17.585","0.0009","22.8714","0.0012","90","","90","","90","","3799.5","0.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","","- C17.47 H19.87 N4 O5.47 -","- C17.468 H19.872 N4 O5.468 -","- C139.744 H158.976 N32 O43.744 -","8","0.5","GK2603","Sow, Mouhamadou Moustapha; Diouf, Ousmane; Seck, Matar; Barry, Aliou Hamady; Gaye, Mohamed","1,5-Bis(2-hydroxy-3-methoxybenzylidene)carbonohydrazide methanol 0.47-solvate","Acta Crystallographica Section E","2014","70","4","o423","","10.1107/S1600536814004802","","","0.71073","MoKα","","0.0806","0.0436","","","0.0893","0.1105","","","","","","1.247","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239248","13.663","0.001","13.667","0.001","13.727","0.001","90","","113.01","0.01","90","","2359.3","0.3","293","1","293","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^N,N'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate","","- C20 H20 F6 N3 P Pd S2 -","- C20 H20 F6 N3 P Pd S2 -","- C80 H80 F24 N12 P4 Pd4 S8 -","4","1","","Bruno, Giuseppe; Nicolò, Francesco; Tresoldi, Giuseppe; Drommi, Dario; Mollica Nardo, Viviana","{2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^N,N'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate","Acta Crystallographica Section E","2014","70","4","m134","m135","10.1107/S1600536814003961","","","0.71073","MoKα","","0.042","0.0379","","","0.1046","0.1138","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239249","12.6009","0.0013","10.7458","0.0011","14.8937","0.0016","90","","111.954","0.002","90","","1870.5","0.3","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","ZQ2219","Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.","Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)methyl]-3-(4-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2014","70","4","o431","o432","10.1107/S1600536814005261","","","0.71073","MoKα","","0.0748","0.0521","","","0.1297","0.1432","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239250","7.9131","0.0011","11.4929","0.0015","13.5627","0.0018","86.105","0.011","79.29","0.011","85.566","0.011","1206.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^N,N',O}chromium(III) nitrate monohydrate","","- C26 H20 Cr N5 O8 -","- C26 H18 Cr N5 O8 -","- C52 H36 Cr2 N10 O16 -","2","1","TK5300","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{2-[(pyridin-2-yl)methylideneamino]benzoato-κ^3^N,N',O}chromium(III) nitrate monohydrate","Acta Crystallographica Section E","2014","70","4","m136","","10.1107/S1600536814005649","","","1.54178","CuKα","","0.0976","0.0568","","","0.1186","0.1357","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239251","14.05","0.005","11.971","0.005","9.161","0.005","90","","93.718","0.005","90","","1537.6","1.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^O,O')cobaltate(II) dihydrate","","- C16 H36 Co N2 O20 P4 -","- C16 H36 Co N2 O20 P4 -","- C32 H72 Co2 N4 O40 P8 -","2","0.5","WM5011","Elboulali, Adel; Selmi, Ahmed; Ratel-Ramond, Nicolas; Rzaigui, Mohamed; Akriche, Samah Toumi","Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^O,O')cobaltate(II) dihydrate","Acta Crystallographica Section E","2014","70","4","m145","m146","10.1107/S1600536814006102","","","0.71073","MoKα","","0.1399","0.0958","","","0.2308","0.2658","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239252","11.6376","0.0005","14.6648","0.0006","13.91","0.0006","90","","96.024","0.001","90","","2360.81","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-methylpyridinium 2,2,2-trichloroacetate","","- C8 H9 Cl3 N2 O2 -","- C8 H9 Cl3 N2 O2 -","- C64 H72 Cl24 N16 O16 -","8","2","SU2705","Babu, K. Syed Suresh; Peramaiyan, G.; NizamMohideen, M.; Mohan, R.","2-Amino-6-methylpyridinium 2,2,2-trichloroacetate","Acta Crystallographica Section E","2014","70","4","o391","o392","10.1107/S1600536814004553","","","0.71073","MoKα","","0.0738","0.0459","","","0.1105","0.1291","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239253","13.5013","0.0019","14.042","0.002","17.213","0.003","90","","90","","90","","3263.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1S,6R,7S,9R)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C128 H192 Br16 O8 -","8","2","BT6967","Zaki, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1-[(1S,6R,7S,9R)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","Acta Crystallographica Section E","2014","70","4","o444","","10.1107/S1600536814005431","","","0.71073","MoKα","","0.0497","0.0313","","","0.0552","0.0595","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239254","19.144","0.0013","8.9363","0.0006","9.1111","0.0003","90","","90","","90","","1558.7","0.16","295","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","3-Diphenylaminoisobenzofuran-1(3H)-one","3-(Diphenylamino)isobenzofuran-1(3H)-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","TK5299","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.","3-(Diphenylamino)isobenzofuran-1(3H)-one","Acta Crystallographica Section E","2014","70","4","o490","","10.1107/S1600536814006266","","","0.71073","MoKα","","0.0539","0.0409","","","0.0981","0.1061","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239255","4.3378","0.0007","7.069","0.0011","33.12","0.005","90","","92.727","0.002","90","","1014.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 5-iodo-2-methoxybenzoate","","- C9 H9 I O3 -","- C9 H9 I O3 -","- C36 H36 I4 O12 -","4","1","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Methyl 5-iodo-2-methoxybenzoate","Acta Crystallographica Section E","2014","70","4","o462","","10.1107/S1600536814005868","","","0.71073","MoKα","","0.0342","0.0328","","","0.0782","0.0791","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239256","9.9826","0.0005","15.8773","0.0007","12.2197","0.0006","90","","109.381","0.006","90","","1827.03","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[4-(Piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C88 H84 N12 O8 -","4","1","","Sharma, Naresh; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","2-[4-(Piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol","Acta Crystallographica Section E","2014","70","4","o447","o448","10.1107/S1600536814005625","","","0.71073","MoKα","","0.1283","0.0595","","","0.1079","0.1328","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239257","9.553","0.005","4.962","0.003","12.706","0.005","90","","104.117","0.005","90","","584.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Hydroxyisoquinolin-2-ium hydrogen succinate","1-Hydroxyisoquinolin-2-ium 3-carboxypropionate","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C26 H26 N2 O10 -","2","1","IS5349","Ambalatharasu, S.; Sankar, A.; Peramaiyan, G.; Chakkaravarthi, G.; Kanagadurai, R.","1-Hydroxyisoquinolin-2-ium hydrogen succinate","Acta Crystallographica Section E","2014","70","4","o491","","10.1107/S1600536814006485","","","0.71073","MoKα","","0.059","0.053","","","0.1585","0.1685","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239258","11.2463","0.0004","17.7975","0.0009","14.6666","0.0007","90","","100.821","0.003","90","","2883.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","","- C33 H39 B N2 O -","- C33 H39 B N2 O -","- C132 H156 B4 N8 O4 -","4","1","KP2466","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","(Butoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","4","o459","","10.1107/S1600536814005674","","","0.71073","MoKα","","0.0864","0.0489","","","0.106","0.1222","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239259","6.4453","0.0011","10.0228","0.0018","14.249","0.003","79.171","0.005","83.694","0.005","83.625","0.006","894.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dimethyl-2-(5-methylthiophen-2-yl)-1-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole","","- C20 H20 N2 S2 -","- C20 H20 N2 S2 -","- C40 H40 N4 S4 -","2","1","QK2065","Geiger, David K.; Isaac, Ava L.","5,6-Dimethyl-2-(5-methylthiophen-2-yl)-1-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole","Acta Crystallographica Section E","2014","70","4","o488","o489","10.1107/S1600536814006333","","","0.71073","MoKα","","0.0607","0.0432","","","0.1108","0.1234","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239260","15.2399","0.0004","5.3814","0.0003","23.0461","0.0006","90","","90.871","0.003","90","","1889.84","0.13","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2H-indazole","","- C22 H18 Cl2 N2 O -","- C22 H18 Cl2 N2 O -","- C88 H72 Cl8 N8 O4 -","4","1","XU5774","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","2-[2-(2,6-Dichlorobenzyloxy)-2-phenylethyl]-2H-indazole","Acta Crystallographica Section E","2014","70","4","o410","","10.1107/S1600536814004887","","","0.71073","MoKα","","0.0588","0.0428","","","0.1016","0.1094","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239261","14.344","0.002","25.993","0.005","6.7047","0.001","90","","117.472","0.002","90","","2217.9","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Benzene-1,3,5-tricarboxylic acid‒pyridin-1-ium-4-olate (1/3)","","- C24 H21 N3 O9 -","- C24 H21 N3 O9 -","- C96 H84 N12 O36 -","4","1","","Campos-Gaxiola, José J.; Zamora Falcon, Felipe; Corral Higuera, Ramón; Höpfl, Herbert; Cruz-Enríquez, Adriana","Benzene-1,3,5-tricarboxylic acid‒pyridinium-2-olate (1/3)","Acta Crystallographica Section E","2014","70","4","o453","o454","10.1107/S1600536814005534","","","0.71073","MoKα","","0.0491","0.047","","","0.1028","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239262","10.251","0.003","12.838","0.004","30.915","0.009","90","","90","","90","","4068","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Heptacarbonylbis(μ-propane-1,3-\ dithiolato)triiron(I,II)(2 Fe—Fe)","","- C13 H12 Fe3 O7 S4 -","- C13 H12 Fe3 O7 S4 -","- C104 H96 Fe24 O56 S32 -","8","2","WM5007","Hu, Mingqiang; Ma, Chengbing; Wen, Huimin; Cui, Honghua; Chen, Changneng","Heptacarbonylbis(μ-propane-1,3-dithiolato)triiron(I,II)(2 Fe—Fe)","Acta Crystallographica Section E","2014","70","4","m124","","10.1107/S1600536814004619","","","0.710747","MoKα","","0.0577","0.043","","","0.0511","0.056","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239263","14.0834","0.0011","8.2605","0.0006","26.561","0.002","90","","93.816","0.007","90","","3083.1","0.4","297.15","0.02","297.15","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3H)-one dichloromethane hemisolvate","","- C14.5 H9 Cl N4 O6 -","- C14.5 H9 Cl N4 O6 -","- C116 H72 Cl8 N32 O48 -","8","1","FJ2664","Agarwal, Palak; Mishra, Pragati; Gupta, Nikita; Neelam; Sahoo, Priyaranjan; Kumar, Satish","(Z)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3H)-one dichloromethane hemisolvate","Acta Crystallographica Section E","2014","70","4","o418","","10.1107/S1600536814004929","","","0.71073","MoKα","","0.0934","0.0568","","","0.1233","0.1413","","","","","","1.025","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239264","7.3638","0.0005","10.2524","0.0006","11.8335","0.0007","68.949","0.003","89.362","0.003","71.46","0.003","785.11","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","FB2296","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o458","","10.1107/S1600536814005601","","","0.71073","MoKα","","0.038","0.0338","","","0.0951","0.0999","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239265","10.368","0.0004","12.5332","0.0004","17.2709","0.0006","72.966","0.003","74.709","0.003","89.262","0.003","2064.79","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Chloridobis(1,10-phenanthroline-κ^2^N,N')copper(II) chlorido(1,10-phenanthroline-κ^2^N,N')(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)manganate(II) methanol monosolvate","","- C44 H31 Cl2 Cu Mn N7 O5 -","- C44 H31 Cl2 Cu Mn N7 O5 -","- C88 H62 Cl4 Cu2 Mn2 N14 O10 -","2","1","BR2237","Buvailo, Halyna I.; Rusanova, Julia A.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Zubatyuk, Roman I.","Chloridobis(1,10-phenanthroline-κ^2^N,N')copper(II) chlorido(1,10-phenanthroline-κ^2^N,N')(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)manganate(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","4","m147","m148","10.1107/S1600536814006369","","","0.71073","MoKα","","0.079","0.0489","","","0.1277","0.1398","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239266","12.932","0.0006","7.3736","0.0004","16.4203","0.0008","90","","97.41","0.002","90","","1552.69","0.13","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-dimethoxybiphenyl-4,4'-dicarboxylate","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Dimethyl 3,3'-dimethoxybiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","4","o449","","10.1107/S1600536814005613","","","0.71073","MoKα","","0.0766","0.0508","","","0.1274","0.1425","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239267","4.7363","0.0005","15.4102","0.0017","20.953","0.002","90","","95.363","0.008","90","","1522.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1H-benzimidazole","","- C19 H14 F N3 -","- C19 H14 F N3 -","- C76 H56 F4 N12 -","4","1","BQ2393","Çelik, Ömer; Anĝay, Fırat; Gündoĝan, Mustafa; Ulusoy, Mahmut","1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1H-benzimidazole","Acta Crystallographica Section E","2014","70","4","o485","","10.1107/S1600536814005947","","","0.71073","MoKα","","0.0559","0.0378","","","0.0925","0.1029","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239268","21.4308","0.0007","5.7255","0.0002","20.4476","0.0005","90","","108.502","0.001","90","","2379.28","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","m-Xylylenediaminium dinitrate","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C64 H112 N32 O48 -","8","2","BH2495","Gatfaoui, Sofian; Dhaouadi, Hassouna; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda","m-Xylylenediaminium dinitrate","Acta Crystallographica Section E","2014","70","4","o398","o399","10.1107/S1600536814004620","","","0.71073","MoKα","","0.06","0.0465","","","0.1208","0.1292","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239269","10.2233","0.0011","16.6581","0.0018","11.7146","0.0015","90","","95","0.001","90","","1987.4","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane-2κ^2^P,P']di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κ^2^Cl-dimercury(II)","","- C26 H54 B10 Cl4 Hg2 P2 -","- C26 H54 B10 Cl4 Hg2 P2 -","- C52 H108 B20 Cl8 Hg4 P4 -","2","1","RZ5109","Yang, Liguo","[1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-closo-dodecaborane-2κ^2^P,P']di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κ^2^Cl-dimercury(II)","Acta Crystallographica Section E","2014","70","4","m140","","10.1107/S1600536814006096","","","0.71073","MoKα","","0.0545","0.0491","","","0.1416","0.1477","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239270","8.6763","0.0004","9.1233","0.0004","19.1545","0.0006","86.328","0.003","82.578","0.002","67.903","0.002","1392.87","0.1","299","2","299","2","","","","","","","","3","P 1","P 1","1","","Methyl 6-O-trityl-α-D-glucopyranoside methanol disolvate","","- C28 H36 O8 -","- C28 H36 O8 -","- C56 H72 O16 -","2","2","XU5777","Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer","Methyl 6-O-trityl-α-D-glucopyranoside methanol disolvate","Acta Crystallographica Section E","2014","70","4","o492","o493","10.1107/S1600536814006461","","","0.71073","MoKα","","0.0393","0.035","","","0.0928","0.096","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239271","20.7561","0.0003","15.1847","0.0003","14.5191","0.0002","90","","126.255","0.001","90","","3690.1","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[N-(N,N-dimethylcarbamimidoyl)-N',N',4-trimethylbenzohydrazonamide]platinum(II) nitromethane hemisolvate","","- C13.5 H22.5 Cl2 N5.5 O Pt -","- C13.5 H22.5 Cl2 N5.5 O Pt -","- C108 H180 Cl16 N44 O8 Pt8 -","8","1","ZQ2215","Bolotin, Dmitrii S.; Bokach, Nadezha A.; Haukka, Matti","Dichlorido[N-(N,N-dimethylcarbamimidoyl)-N',N',4-trimethylbenzohydrazonamide]platinum(II) nitromethane hemisolvate","Acta Crystallographica Section E","2014","70","4","m131","m132","10.1107/S1600536814003894","","","0.71073","MoKα","","0.0185","0.0153","","","0.0338","0.0347","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239272","8.1754","0.0002","8.9536","0.0002","15.3193","0.0004","104.965","0.002","95.175","0.002","107.354","0.002","1016.87","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene)","","- C26 H18 F4 O2 -","- C26 H18 F4 O -","- C52 H36 F8 O2 -","2","1","BV2231","Roopashree, K. R.; Kavitha, H. D.; Katagi, K. S.; Kotresh, O.; Devarajegowda, H. C.","1,1',1'',1'''-(Oxydimethanetriyl)tetrakis(4-fluorobenzene)","Acta Crystallographica Section E","2014","70","4","o475","","10.1107/S1600536814005984","","","0.71073","MoKα","","0.0779","0.0479","","","0.116","0.1324","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239273","8.6775","0.0007","12.4069","0.001","6.1995","0.0005","90","","90","","90","","667.44","0.09","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","2-Methyl-4-nitropyridine N-oxide","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","0.5","","Peukert, Max; Seichter, Wilhelm; Weber, Edwin","Redetermination of 2-methyl-4-nitropyridine N-oxide","Acta Crystallographica Section E","2014","70","4","o426","o427","10.1107/S1600536814004450","","","0.71073","MoKα","","0.0538","0.0485","","","0.1397","0.1467","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239274","10.7393","0.0008","33.613","0.003","9.9942","0.0007","90","","95.704","0.005","90","","3589.8","0.5","99","2","99","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N-(2-Chloroethyl)morpholine-4-carboxamide","","- C7 H13 Cl N2 O2 -","- C7 H13 Cl N2 O2 -","- C112 H208 Cl16 N32 O32 -","16","4","QK2064","Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Nicholson, Brian K.; Ukoha, Pius O.; Ukwueze, Nkechi N.","N-(2-Chloroethyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2014","70","4","o463","","10.1107/S1600536814005832","","","0.71073","MoKα","","0.1077","0.0593","","","0.1323","0.1577","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239275","10.0543","0.0004","10.7342","0.0004","18.7836","0.0007","86.32","0.002","80.372","0.002","78.185","0.002","1955.38","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(μ-Acetato-κ^2^O:O')[μ-2,6-bis({bis[(pyridin-2-yl-κN)methyl]amino-κN}methyl)-4-methylphenolato-κ^2^O:O](methanol-κO)dizinc bis(perchlorate)","","- C36 H40 Cl2 N6 O12 Zn2 -","- C36 H40 Cl2 N6 O12 Zn2 -","- C72 H80 Cl4 N12 O24 Zn4 -","2","1","KJ2234","Das, Biswanath; Haukka, Matti; Nordlander, Ebbe","(μ-Acetato-κ^2^O:O')[μ-2,6-bis({bis[(pyridin-2-yl-κN)methyl]amino-κN}methyl)-4-methylphenolato-κ^2^O:O](methanol-κO)dizinc bis(perchlorate)","Acta Crystallographica Section E","2014","70","4","m120","m121","10.1107/S1600536814004279","","","0.71073","MoKα","","0.0451","0.0317","","","0.0808","0.0871","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239276","9.1703","0.0004","10.2234","0.0005","9.2681","0.0004","90","","108.539","0.001","90","","823.81","0.06","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","Trichodermaerin","(4E)-4,9,15,16,16-Pentamethyl-6-oxatetracyclo[10.3.1.0^1,10^.0^5,9^]hexadec-4-ene-7,13-dione","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","HB7180","Chantrapromma, Suchada; Jeerapong, Chotika; Phupong, Worrapong; Quah, Ching Kheng; Fun, Hoong-Kun","Trichodermaerin: a diterpene lactone from Trichoderma asperellum","Acta Crystallographica Section E","2014","70","4","o408","o409","10.1107/S1600536814004632","","","0.71073","MoKα","","0.0259","0.0257","","","0.0688","0.0691","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239277","15.3099","0.0013","9.2815","0.0008","12.3216","0.0011","90","","110.716","0.001","90","","1637.7","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-Chlorophenyl)-4a-hydroxy-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione","","- C19 H19 Cl O4 -","- C19 H19 Cl O4 -","- C76 H76 Cl4 O16 -","4","1","","Liu, Qiu-Ling; Wu, Xin-Yan; Gao, Feng; Bao, Dan; Wang, Fang-Ming","9-(2-Chlorophenyl)-4a-hydroxy-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione","Acta Crystallographica Section E","2014","70","4","o442","o443","10.1107/S1600536814005297","","","0.71073","MoKα","","0.0764","0.0415","","","0.1145","0.1371","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239278","8.9729","0.0001","10.3462","0.0001","11.0978","0.0002","91.027","0.001","112.142","0.001","96.92","0.001","945.09","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C22 H24 O3 S -","- C22 H24 O3 S -","- C44 H48 O6 S2 -","2","1","KJ2238","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","4","o494","","10.1107/S1600536814006448","","","0.71073","MoKα","","0.0531","0.042","","","0.1096","0.1168","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239279","6.649","0.001","12.668","0.001","12.873","0.001","87.64","0.01","79.46","0.01","75.06","0.01","1029.9","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","Methyl 3,5-bis(cyclohexylmethoxy)benzoate","","- C22 H32 O4 -","- C22 H32 O4 -","- C44 H64 O8 -","2","1","PK2519","Corfield, Peter W. R.; Paccagnini, Michele L.; Balija, Amy M.","Methyl 3,5-bis(cyclohexylmethoxy)benzoate","Acta Crystallographica Section E","2014","70","4","o400","o401","10.1107/S1600536814004607","","","0.7107","MoKα","","0.0678","0.0444","","","0.1139","0.1284","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239280","25.814","0.004","10.5563","0.0016","20.333","0.003","90","","110.883","0.002","90","","5176.8","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-fluorobenzenesulfonate monohydrate","","- C28 H31 Cl N2 O4 S -","- C28 H31 Cl N2 O4 S -","- C224 H248 Cl8 N16 O32 S8 -","8","2","SJ5390","Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun","(E)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-chlorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2014","70","4","o395","o396","10.1107/S1600536814004577","","","0.71073","MoKα","","0.1355","0.0763","","","0.1701","0.2013","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239281","13.5656","0.0009","14.3215","0.0009","15.787","0.001","90","","112.186","0.001","90","","2840","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-tert-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)","","- C31.5 H41.5 Cl N O2 -","- C31.5 H41.5 Cl N O2 -","- C126 H166 Cl4 N4 O8 -","4","1","GG2132","Nielson, Alastair J.; Waters, Joyce M.","4-tert-Butylpyridinium chloride‒4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)‒toluene (2/2/1)","Acta Crystallographica Section E","2014","70","4","o413","o414","10.1107/S1600536814004942","","","0.71073","MoKα","","0.1025","0.0524","","","0.0943","0.1139","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239282","26.005","0.019","13.169","0.004","13.297","0.008","90","","98.02","0.06","90","","4509","5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Acetyl-2-fluoro-6H-benzo[c]chromen-6-one","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C240 H144 F16 O48 -","16","2","","Ishikawa, Yoshinobu; Suzuki, Takafumi; Yoshida, Nanako","3-Acetyl-2-fluoro-6H-benzo[c]chromen-6-one","Acta Crystallographica Section E","2014","70","4","o470","o471","10.1107/S1600536814005959","","","0.71069","MoKα","","","0.0468","","","","0.1373","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239283","10.5064","0.0018","10.2684","0.0017","11.843","0.002","90","","108.58","0.002","90","","1211.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Chloropyrimidin-4-yl)ferrocene","","- C14 H11 Cl Fe N2 -","- C14 H11 Cl Fe N2 -","- C56 H44 Cl4 Fe4 N8 -","4","1","FJ2665","Shi, Guo-Qing; Li, Yang; Gao, Xiang; Hao, Long-Fei; Zhao, Wen-en","(2-Chloropyrimidin-4-yl)ferrocene","Acta Crystallographica Section E","2014","70","4","m130","","10.1107/S1600536814004917","","","0.71073","MoKα","","0.0458","0.0316","","","0.0919","0.1109","","","","","","0.734","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239284","6.5791","0.0004","7.2663","0.0004","9.3342","0.0005","80.121","0.004","85.042","0.004","70.235","0.004","413.52","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C16 H12 Cl2 N6 O2 -","2","1","HB7211","Kattimani, Pramod P.; Kamble, Ravindra R.; Kumbar, Mahadev N.; Arunkashi, H. K.; Devarajegowda, H. C.","1-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one","Acta Crystallographica Section E","2014","70","4","o499","","10.1107/S1600536814006412","","","0.71073","MoKα","","0.0382","0.0335","","","0.0911","0.0937","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239285","10.1689","0.0008","43.141","0.003","7.2658","0.0005","90","","90","","90","","3187.5","0.4","293","2","293","2","","","","","","","","3","I b a 2","I 2 -2c","45","","c-3,t-5-Dimethyl-r-2,c-6-diphenylpiperidine","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","1","","Sathya, S.; Prathebha, K.; Usha, G.; Abdul Basheer, S.; Ponnuswamy, S.","3,5-Dimethyl-2,6-diphenylpiperidine","Acta Crystallographica Section E","2014","70","4","o404","","10.1107/S160053681400470X","","","0.71073","MoKα","","0.0788","0.0512","","","0.1722","0.2156","","","","","","0.776","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239286","13.1045","0.0004","14.7259","0.0005","14.6953","0.0006","90","","95.127","0.003","90","","2824.49","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide","","- C13 H11 Cl N4 O2 S -","- C13 H11 Cl N4 O2 S -","- C104 H88 Cl8 N32 O16 S8 -","8","2","HB7208","Devaru, Venkatesh B.; Katagi, K. S.; Kotresh, O.; Arunkashi, H. K.; Devarajegowda, H. C.","N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide","Acta Crystallographica Section E","2014","70","4","o445","","10.1107/S1600536814005388","","","0.71073","MoKα","","0.0481","0.0339","","","0.0939","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239287","6.7828","0.0002","16.8263","0.0006","10.4004","0.0004","90","","93.354","0.003","90","","1184.96","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-(4-fluoro-phenyl)-2H-pyrazol-1-ium trifluoro-acetate","5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate","","- C11 H8 F4 N2 O2 -","- C11 H8 F4 N2 O2 -","- C44 H32 F16 N8 O8 -","4","2","SU2707","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2014","70","4","o429","o430","10.1107/S1600536814005200","","","0.71073","MoKα","","0.0754","0.0494","","","0.0958","0.1097","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239288","7.0284","0.0002","7.6736","0.0002","19.2668","0.0004","90","","99.355","0.002","90","","1025.3","0.05","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Potassium oxonate 2/3-hydrate","Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]","","- C6 H5 K1.5 N4.5 O7 -","- C6 H5 K1.5 N4.5 O7 -","- C24 H20 K6 N18 O28 -","4","1","WM5013","Soudani, Sarra; Aubert, Emmanuel; Wenger, Emmanuel; Jelsch, Christian; Gautier-Luneau, Isabelle; Ben Nasr, Cherif","Poly[diaquatris(μ~6~-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]","Acta Crystallographica Section E","2014","70","5","m174","m175","10.1107/S1600536814007569","","","0.71073","MoKα","","0.034","0.0274","","","0.0635","0.067","","","","","","0.925","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239289","7.5488","0.0003","11.1899","0.0004","12.3853","0.0005","79.904","0.002","75.964","0.002","89.266","0.002","998.76","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) bis(4-chlorobenzenesulfonate)","","- C48 H40 Cl2 N2 O6 S2 -","- C48 H40 Cl2 N2 O6 S2 -","- C48 H40 Cl2 N2 O6 S2 -","1","0.5","RZ5110","Chantrapromma, Suchada; Chanawanno, Kullapa; Boonnak, Nawong; Fun, Hoong-Kun","2,2'-[2,4-Bis(naphthalen-1-yl)cyclobutane-1,3-diyl]bis(1-methylpyridinium) bis(4-chlorobenzenesulfonate): thermal-induced [2~+~2] cycloaddition reaction of a heterostilbene","Acta Crystallographica Section E","2014","70","5","o510","o511","10.1107/S160053681400645X","","","0.71073","MoKα","","0.048","0.0395","","","0.1041","0.1146","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239290","15.5038","0.0017","16.4958","0.0018","21.4067","0.0013","70.008","0.002","82.663","0.003","66.129","0.002","4704.4","0.8","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetra-μ-cyanido-κ^8^C:N-dodeca-cyanido-κ^12^C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')trimanganese(II)ditungstate(V)] dihydrate]","","- C76 H85 Mn3 N25 O8 W2 -","- C76 H85 Mn3 N25 O8 W2 -","- C152 H170 Mn6 N50 O16 W4 -","2","1","","Yang, Fei-Lin; Yang, Dan","Poly[[tetra-μ-cyanido-κ^8^C:N-dodeca-cyanido-κ^12^C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')trimanganese(II)ditungstate(V)] dihydrate]","Acta Crystallographica Section E","2014","70","5","m170","m171","10.1107/S1600536814007235","","","0.71073","MoKα","","0.0478","0.0461","","","0.1163","0.1167","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239291","9.4252","0.0008","6.8145","0.0005","11.0391","0.0008","90","","106.257","0.005","90","","680.67","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-Difluoro-2-hydroxybenzoic acid","","- C7 H4 F2 O3 -","- C7 H4 F2 O3 -","- C28 H16 F8 O12 -","4","1","","Ravi Kiran, Bhaskarachar; Palakshamurthy, Bandrehalli Siddagangaiah; Vijayakumar, Giriyapura R.; Bharath, Hebbur Shivamurthy","3,4-Difluoro-2-hydroxybenzoic acid","Acta Crystallographica Section E","2014","70","5","o519","","10.1107/S1600536814007211","","","0.71073","MoKα","","0.0818","0.0307","","","0.09","0.0944","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239292","7.208","0.004","13.824","0.007","15.022","0.008","90","","92.13","0.02","90","","1495.8","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(E)-2-(2-Methoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enone","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","SU2717","Fatima, Zeenat; Senthilkumar, Govindaraj; Vadivel, A.; Manikandan, Haridoss; Velmurugan, Devadasan","3-[(E)-2-(2-Methoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2014","70","5","o509","","10.1107/S1600536814006527","","","0.71073","MoKα","","0.1355","0.0847","","","0.2549","0.2825","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239293","7.421","0.003","18.16","0.007","8.691","0.004","90","","90.524","0.007","90","","1171.2","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Trichlorido(1-ethylpiperazin-1-ium)cobalt(II)","","- C6 H15 Cl3 Co N2 -","- C6 H15 Cl3 Co N2 -","- C24 H60 Cl12 Co4 N8 -","4","1","","Dhieb, Abdelhamid Chiheb; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","Trichlorido(1-ethylpiperazin-1-ium)cobalt(II)","Acta Crystallographica Section E","2014","70","5","m166","","10.1107/S1600536814006989","","","0.71075","MoKα","","","0.0217","","","","0.0495","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239294","14.2514","0.0003","14.9274","0.0005","14.9616","0.0003","100.443","0.002","111.754","0.001","99.695","0.002","2808.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis[2,6-bis(1H-pyrazol-1-yl)pyridine]decakis(μ~2~-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III)","","- C106 H66 Dy4 N22 O48 -","- C106 H66 Dy4 N22 O48 -","- C106 H66 Dy4 N22 O48 -","1","0.5","SU2704","Hua, Rong; Wu, Xiao-Liu; Li, Jin-Ying","Bis[2,6-bis(1H-pyrazol-1-yl)pyridine]decakis(μ~2~-3-nitrobenzoato)bis(3-nitrobenzoato)tetradysprosium(III): a linear tetranuclear dysprosium compound based on mixed N- and O-donor ligands","Acta Crystallographica Section E","2014","70","5","m162","m163","10.1107/S1600536814006060","","","0.71073","MoKα","","0.0269","0.0215","","","0.0544","0.0584","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239295","6.772","0.001","12.5006","0.0018","14.187","0.002","68.991","0.002","81.829","0.002","87.925","0.002","1109.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","4,4'-(Ethene-1,2-diyl)dipyridin-1-ium hexaaquairon(II) bis(sulfate) monohydrate","","- C12 H26 Fe N2 O15 S2 -","- C12 H26 Fe N2 O15 S2 -","- C24 H52 Fe2 N4 O30 S4 -","2","1","","Yang, Dan; Yang, Fei-Lin","1:1 Co-crystal of 4,4'-(ethene-1,2-diyl)dipyridin-1-ium sulfate and hexaaquairon(II) sulfate monohydrate","Acta Crystallographica Section E","2014","70","5","m169","","10.1107/S1600536814007053","","","0.71073","MoKα","","0.0329","0.0266","","","0.0696","0.0722","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239296","9.276","0.001","4.764","0.001","50.154","0.003","90","","95.02","0.02","90","","2207.8","0.5","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cobalt(II) sebacate","Poly[(μ~4~-decanedioato)cobalt(II)]","","- C10 H16 Co O4 -","- C10 H16 Co O4 -","- C80 H128 Co8 O32 -","8","1","","Giuseppe, Bruno; Francesco, Nicolò; Giovanni, Grassi; Alessandro, Saccà; Mollica Nardo, Viviana","Poly[(μ4-decanedioato)cobalt(II)]","Acta Crystallographica Section E Structure Reports Online","2014","70","5","m159","","10.1107/S1600536814006011","","","0.71073","MoKα","","0.0564","0.0466","","","0.1459","0.1573","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239297","7.2825","0.0011","8.785","0.0013","13.026","0.002","107.882","0.003","93.156","0.003","101.555","0.003","770.9","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid","","- C14 H18 Br N O4 -","- C14 H18 Br N O4 -","- C28 H36 Br2 N2 O8 -","2","1","","Zhang, Yanpeng; Zhang, Can; Xia, Ai-Bao","2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid","Acta Crystallographica Section E","2014","70","5","o518","","10.1107/S1600536814006941","","","0.71073","MoKα","","0.0836","0.0446","","","0.0994","0.1134","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239298","8.226","0.003","10.157","0.002","11.298","0.004","65.98","0.02","74.2","0.03","69.03","0.05","796.2","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^O,O',O'')cobaltate(II) hexahydrate","","- C4 H36 B12 Co N2 O32 -","- C4 H36 B12 Co N2 O32 -","- C4 H36 B12 Co N2 O32 -","1","0.5","HB7207","Jamai, Nabil; Rzaigui, Mohamed; Toumi, Samah Akriche","Piperazine-1,4-diium bis(hexahydroxidoheptaoxidohexaborato-κ^3^O,O',O'')cobaltate(II) hexahydrate","Acta Crystallographica Section E","2014","70","5","m167","m168","10.1107/S1600536814007090","","","0.56087","AgKα","","0.0703","0.0486","","","0.1413","0.1532","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239299","7.539","0.005","18.551","0.005","10.806","0.005","90","","94.38","0.005","90","","1506.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^N,N')mercury(II)","","- C16 H12 Cl2 Hg N2 O -","- C16 H12 Cl2 Hg N2 O -","- C64 H48 Cl8 Hg4 N8 O4 -","4","1","ZS2293","Faizi, Md. Serajul Haque; Sen, Pratik","Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^N,N')mercury(II)","Acta Crystallographica Section E","2014","70","5","m173","","10.1107/S1600536814007077","","","0.71073","MoKα","","0.0208","0.0164","","","0.0339","0.035","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239300","10.2198","0.0013","12.1702","0.0015","12.4767","0.0015","118.119","0.009","93.936","0.01","101.84","0.01","1314.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis[bis(2,2'-bipyridine-κ^2^N,N')(carbonato-κ^2^O,O')cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate","","- C54 H54 Co2 N10 O18 -","- C54 H54 Co2 N10 O18 -","- C54 H54 Co2 N10 O18 -","1","0.5","WM5010","Pook, Niels-Patrick; Gjikaj, Mimoza; Adam, Arnold","Bis[bis(2,2'-bipyridine-κ^2^N,N')(carbonato-κ^2^O,O')cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate","Acta Crystallographica Section E","2014","70","5","m160","m161","10.1107/S160053681400631X","","","0.71073","MoKα","","0.0534","0.043","","","0.1009","0.1062","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239301","6.3807","0.0004","9.8331","0.0006","22.1717","0.0016","90","","90","","90","","1391.1","0.16","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^O^2^,N^1^,O^6^;O^3^,N^4^,O^5^)bis(diaqualithium) monohydrate","","- C8 H12 Li2 N2 O13 -","- C8 H12 Li2 N2 O13 -","- C32 H48 Li8 N8 O52 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","(μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ^6^O^2^,N^1^,O^6^;O^3^,N^4^,O^5^)bis(diaqualithium) monohydrate","Acta Crystallographica Section E","2014","70","5","m172","","10.1107/S1600536814007223","","","0.71073","MoKα","","0.0535","0.0468","","","0.0955","0.0997","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239302","8.7876","0.00016","14.0091","0.0003","14.412","0.0002","90","","94.8913","0.0017","90","","1767.75","0.06","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl](phenyl)methanone","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","ZS2292","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K.","[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl](phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o507","o508","10.1107/S1600536814006679","","","0.71073","MoKα","","0.0586","0.0425","","","0.1025","0.1133","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239303","10.17","0.004","12.623","0.005","12.962","0.005","113.45","0.005","110.411","0.005","92.795","0.005","1396.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~2~-2-Methoxyethanol-κ^3^O^1^:O^1^,O^3^)(2-methoxyethanol-κO^1^)tris(μ~2~-3,4,5,6-tetrafluoro-o-phenylene-κC)trimercury(II)","","- C24 H16 F12 Hg3 O4 -","- C24 H16 F12 Hg3 O4 -","- C48 H32 F24 Hg6 O8 -","2","1","CV5445","Castañeda, Raúl; Draguta, Sergiu; Yakovenko, Andrey; Fonari, Marina; Timofeeva, Tatiana","(μ~2~-2-Methoxyethanol-κ^3^O^1^:O^1^,O^3^)(2-methoxyethanol-κO^1^)tris(μ~2~-3,4,5,6-tetrafluoro-o-phenylene-κ^2^C^1^:C^2^)trimercury(II)","Acta Crystallographica Section E","2014","70","5","m164","m165","10.1107/S1600536814006898","","","0.71073","MoKα","","0.1195","0.0498","","","0.0811","0.1013","","","","","","0.906","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239304","10.1733","0.0019","11.156","0.002","16.361","0.003","90","","90.877","0.003","90","","1856.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ethyl trans-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Chandrasekar, S.; Sharma Om, Prakash; Srinivasapriyan, V.; SureshKumar, M.; Ramanathan, C. R.","Ethyl trans-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate","Acta Crystallographica Section E","2014","70","5","o512","","10.1107/S1600536814006588","","","0.71073","MoKα","","0.0542","0.0461","","","0.1121","0.118","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239305","18.409","0.002","7.714","0.0008","22.493","0.003","90","","109.503","0.007","90","","3010.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N'-Trimethyl-N''-(4-nitrophenyl)-N'-phenylguanidine","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","NR2049","Tiritiris, Ioannis; Frey, Wolfgang; Kantlehner, Willi","N,N,N'-Trimethyl-N''-(4-nitrophenyl)-N'-phenylguanidine","Acta Crystallographica Section E","2014","70","5","o516","o517","10.1107/S160053681400693X","","","0.71073","MoKα","","0.0783","0.053","","","0.114","0.1239","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239306","6.5838","0.0016","6.9579","0.0017","10.265","0.003","71.22","0.03","85.64","0.02","69.29","0.03","416.1","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Chloro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Chloro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o514","","10.1107/S1600536814007119","","","0.71069","MoKα","","","0.04","","","","0.1088","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239307","8.8243","0.0013","10.3974","0.0016","14.348","0.002","72.936","0.003","74.639","0.002","75.792","0.003","1193.3","0.3","295","1","295","1","","","","","","","","3","P -1","-P 1","2","","(±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate","","- C26 H22 O11 -","- C26 H22 O11 -","- C52 H44 O22 -","2","1","XU5780","Gil, Maayan; Almog, Joseph; Dubnikova, Faina; Bogoslavski, Benny; Cohen, Shmuel","(±)-4,12,15,18,26-Pentahydroxy-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6(11),7,9,15,19,21,23-nonaene-5,25-dione methanol disolvate","Acta Crystallographica Section E","2014","70","5","o506","","10.1107/S1600536814006643","","","0.71073","MoKα","","0.1145","0.0667","","","0.1329","0.1527","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239308","8.362","0.003","10.627","0.003","11.47","0.004","108.575","0.006","99.377","0.007","100.886","0.006","921.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-[(Z)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate","","- C19 H17 Cl N2 O5 -","- C19 H17 Cl N2 O5 -","- C38 H34 Cl2 N4 O10 -","2","1","PK2520","Dong, Kun; Wang, Yifeng","Methyl 1-[(Z)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxyindane-2-carboxylate","Acta Crystallographica Section E","2014","70","5","o527","","10.1107/S1600536814007429","","","0.71073","MoKα","","0.0622","0.0533","","","0.1493","0.1615","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239309","8.1554","0.0002","9.979","0.0002","10.126","0.0002","77.41","0.001","77.114","0.001","76.009","0.001","767.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C34 H30 Br2 O6 S2 -","2","1","GG2139","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o520","","10.1107/S1600536814007181","","","0.71073","MoKα","","0.0339","0.0278","","","0.0701","0.0733","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239310","6.655","0.0003","9.4142","0.0004","12.9389","0.0013","86.008","0.006","83.921","0.006","89.511","0.004","804.13","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(1R,4R,6S,7R)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C32 H48 Br4 O2 -","2","2","BT6972","Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha","(1R,4R,6S,7R)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one","Acta Crystallographica Section E","2014","70","5","o526","","10.1107/S1600536814007351","","","0.71073","MoKα","","0.0717","0.0537","","","0.1082","0.1185","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239311","5.5794","0.0001","15.6118","0.0003","8.0653","0.0002","90","","98.913","0.001","90","","694.04","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{(3aR,5S,6R,6aR)-5-[(R)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl methanesulfonate","","- C11 H20 O8 S -","- C11 H20 O8 S -","- C22 H40 O16 S2 -","2","1","","Rjabovs, Vitālijs; Mishnev, Anatoly; Kiselovs, Glebs; Turks, Māris","{(3aR,5S,6R,6aR)-5-[(R)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl methanesulfonate","Acta Crystallographica Section E","2014","70","5","o524","o525","10.1107/S1600536814007387","","","0.71073","MoKα","","0.0303","0.0273","","","0.063","0.0646","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239312","17.348","0.003","8.6023","0.0013","12.1672","0.0018","90","","99.637","0.003","90","","1790.1","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Methyl-3-phenylthiourea","","- C8 H10 N2 S -","- C8 H10 N2 S -","- C64 H80 N16 S8 -","8","1","KQ2012","Su, Hou-xiang","1-Methyl-3-phenylthiourea","Acta Crystallographica Section E","2014","70","5","o528","","10.1107/S1600536814007442","","","0.71073","MoKα","","0.0687","0.0406","","","0.0997","0.1143","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239313","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-Fluoro-4'-methylbiphenyl-3-yl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate","","- C23 H21 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Shao, Ying; Liu, Xiao-Long; Wu, Zhu-Hong; Xia, Yong-An","(5-Fluoro-4'-methylbiphenyl-3-yl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","5","o522","","10.1107/S160053681400720X","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239314","8.2649","0.0006","19.2127","0.0014","8.0554","0.0005","90","","99.244","0.003","90","","1262.51","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide","","- C14 H12 F N3 O -","- C14 H12 F N3 O -","- C56 H48 F4 N12 O4 -","4","1","","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","N'-[(E)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide","Acta Crystallographica Section E","2014","70","5","o532","o533","10.1107/S1600536814007545","","","0.71073","MoKα","","0.0675","0.0478","","","0.1333","0.1521","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239315","29.88","0.005","6.841","0.005","11.999","0.005","90","","102.307","0.005","90","","2396","2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","SJ5394","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","9α-Hydroxy-12-{[4-(4-hydroxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2014","70","5","o530","o531","10.1107/S1600536814007430","","","0.71073","MoKα","","0.0878","0.0444","","","0.0853","0.1017","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239316","7.4478","0.0016","11.284","0.005","12.583","0.005","107.78","0.03","92.96","0.03","102.85","0.03","973.6","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-oxo-4H-[1,4'-biquinoline]-3,3'-dicarboxylate","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Yoshida, Nanako","Diethyl 4-oxo-4H-[1,4'-biquinoline]-3,3'-dicarboxylate","Acta Crystallographica Section E","2014","70","5","o523","","10.1107/S1600536814007314","","","0.71069","MoKα","","","0.0517","","","","0.1585","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239317","7.7149","0.001","7.7326","0.0011","12.748","0.002","91.472","0.002","91.233","0.003","114.859","0.002","689.37","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,3-dichlorophenyl) disulfide","","- C12 H6 Cl4 S2 -","- C12 H6 Cl4 S2 -","- C24 H12 Cl8 S4 -","2","1","BX2456","Osorio-Yáñez, Rebeca Nayely; Crisóstomo-Lucas, Carmela; Santacruz-Juárez, Ericka; Reyes-Martínez, Reyna; Morales-Morales, David","Bis(2,3-dichlorophenyl) disulfide","Acta Crystallographica Section E","2014","70","5","o529","","10.1107/S1600536814007326","","","0.71073","MoKα","","0.0438","0.0351","","","0.0821","0.0878","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239318","8.144","0.002","13.729","0.004","11.16","0.003","90","","105.177","0.008","90","","1204.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Shao, Ying; Xia, Yong-An; Wu, Zhu-Hong; Liu, Xiao-Long","(E)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione","Acta Crystallographica Section E","2014","70","5","o521","","10.1107/S1600536814007193","","","0.7107","MoKα","","0.0889","0.075","","","0.1528","0.1608","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239319","11.455","0.0003","11.2239","0.0003","44.3776","0.001","90","","90","","90","","5705.6","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C288 H288 O32 -","16","2","RN2124","Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William","cis-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2014","70","5","o546","","10.1107/S1600536814007739","","","1.54178","CuKα","","0.0416","0.0394","","","0.0968","0.0988","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239320","9.2364","0.0016","13.245","0.002","18.248","0.003","104.956","0.004","103.578","0.004","101.636","0.005","2013.1","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate","","- C52 H43 N3 Se2 -","- C50 H40 N2 Se2 -","- C100 H80 N4 Se4 -","2","1","TK5302","Neuba, Adam; Schneider, Tobias; Flörke, Ulrich; Henkel, Gerald","Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","5","o537","o538","10.1107/S1600536814007806","","","0.71073","MoKα","","0.0854","0.0426","","","0.06","0.0679","","","","","","0.636","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239321","14.5718","0.0004","9.7218","0.0002","18.2609","0.0005","90","","94.604","0.001","90","","2578.57","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-Allyl-1-(3,4-dimethylbenzoyl)-2-(4-methyl-1,3-thiazol-5-yl)-1,2,5,6,7,7a-hexahydrospiro[pyrrolizine-3,3'-indolin]-2'-one","","- C30 H31 N3 O2 S -","- C30 H31 N3 O2 S -","- C120 H124 N12 O8 S4 -","4","1","HB7204","Karthikeyan, V.; Ramkumar, V.; Karunakaran, R. Joel","1'-Allyl-1-(3,4-dimethylbenzoyl)-2-(4-methyl-1,3-thiazol-5-yl)-1,2,5,6,7,7a-hexahydrospiro[pyrrolizine-3,3'-indolin]-2'-one","Acta Crystallographica Section E","2014","70","5","o541","o542","10.1107/S1600536814006990","","","0.71073","MoKα","","0.0521","0.0389","","","0.0986","0.1118","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239322","12.7717","0.0006","16.2765","0.0007","11.4109","0.0009","90","","90","","90","","2372.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one O-nicotinoyl oxime","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","SU2680","Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.","(E)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one O-nicotinoyl oxime","Acta Crystallographica Section E","2014","70","5","o551","","10.1107/S1600536814007363","","","0.71073","MoKα","","0.1014","0.0471","","","0.1061","0.1324","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239323","10.4304","0.0002","6.8873","0.0001","13.4992","0.0003","90","","105.8","0.001","90","","933.11","0.03","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phosphocholine","2-(Trimethylazaniumyl)ethyl hydrogen phosphate monohydrate","","- C5 H16 N O5 P -","- C5 H16 N O5 P -","- C20 H64 N4 O20 P4 -","4","1","IS5344","Nikawa, Yohsuke; Fujita, Kyoko; Noguchi, Keiichi; Ohno, Hiroyuki","2-(Trimethylazaniumyl)ethyl hydrogen phosphate (phosphocholine) monohydrate","Acta Crystallographica Section E","2014","70","5","o549","","10.1107/S160053681400779X","","","1.54187","CuKα","","0.0393","0.038","","","0.1004","0.101","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239324","8.112","0.003","10.378","0.004","12.583","0.005","106.321","0.007","90.188","0.008","106.035","0.007","973.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate","","- C18 H21 N2 O6 P -","- C18 H21 N2 O6 P -","- C36 H42 N4 O12 P2 -","2","1","LH5697","Chen, Jing-Wei; Li, Bai-Cun; Fang, Hua; Wu, Zhen; Fang, Mei-Juan","Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2014","70","5","o548","","10.1107/S1600536814007776","","","0.71073","MoKα","","0.0907","0.0754","","","0.1883","0.1995","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239325","7.29","0.003","8.779","0.005","9.767","0.004","63.82","0.03","75.44","0.03","68.05","0.04","517.5","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H4 I2 O3 -","- C10 H4 I2 O3 -","- C20 H8 I4 O6 -","2","1","","Ishikawa, Yoshinobu","6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o536","","10.1107/S1600536814006904","","","0.71069","MoKα","","","0.0509","","","","0.1471","","","","","","1.234","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239326","31.7851","0.0009","8.5449","0.0002","21.3311","0.0005","90","","90.995","0.002","90","","5792.7","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{μ-cis-1,3-bis[(di-tert-butylphosphanyl)oxy]cyclohexane-κ^2^P:P'}bis[carbonylnickel(0)]","","- C46 H92 Ni2 O6 P4 -","- C46 H92 Ni2 O6 P4 -","- C184 H368 Ni8 O24 P16 -","4","0.5","TK5304","Jonasson, Klara J.; Wendt, Ola F.","Bis{μ-cis-1,3-bis[(di-tert-butylphosphanyl)oxy]cyclohexane-κ^2^P:P'}bis[carbonylnickel(0)] including an unknown solvent molecule","Acta Crystallographica Section E","2014","70","5","m176","m177","10.1107/S1600536814007818","","","0.71073","MoKα","","0.0794","0.0497","","","0.1106","0.125","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239327","21.805","0.004","9.871","0.002","8.8646","0.0018","90","","90","","90","","1908","0.6","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","0.5","","Shi, Huaduan; Qin, Haisha; Ma, Zhen","Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate","Acta Crystallographica Section E","2014","70","5","o552","","10.1107/S1600536814007673","","","0.71073","MoKα","","0.0608","0.041","","","0.1154","0.1324","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239328","9.0608","0.0012","14.3998","0.0017","10.1631","0.0012","90","","104.835","0.003","90","","1281.8","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,8-Dimethoxy-3,9-dimethyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-d]isoxazole","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","IS5351","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","5,8-Dimethoxy-3,9-dimethyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-d]isoxazole","Acta Crystallographica Section E","2014","70","5","o544","","10.1107/S1600536814007752","","","0.71073","MoKα","","0.0554","0.0393","","","0.0899","0.0967","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239329","9.503","0.0018","10.2912","0.0016","25.347","0.005","90","","90","","90","","2478.9","0.8","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-Methyl-8-(1-phenylethenyl)-3,9-dioxa-4,8-diazatricyclo[5.2.1.0^2,6^]dec-4-ene","(3-Methyl-3a,4,7,7a-tetrahydro-5H-4,7-\ methanoisoxazolo[4,5-d][1,2]oxazin-5-yl)(phenyl)methanone","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","IS5350","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","(3-Methyl-3a,4,7,7a-tetrahydro-5H-4,7-methanoisoxazolo[4,5-d][1,2]oxazin-5-yl)(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o543","","10.1107/S1600536814007740","","","0.71073","MoKα","","0.0608","0.0405","","","0.092","0.1013","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239330","11.642","0.002","8.5455","0.0016","11.846","0.002","90","","116.106","0.003","90","","1058.3","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","","- C10 H8 Br F3 N2 -","- C10 H8 Br F3 N2 -","- C40 H32 Br4 F12 N8 -","4","2","CV5449","Bunev, Alexander S.; Vasiliev, Maksim A.; Ostapenko, Gennady I.; Peregudov, Alexander S.; Khrustalev, Victor N.","(Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline","Acta Crystallographica Section E","2014","70","5","o550","","10.1107/S1600536814007867","","","0.71073","MoKα","","0.0579","0.0467","","","0.1135","0.1182","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239331","8.528","0.005","11.653","0.002","13.114","0.006","90","","90","","90","","1303.2","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","","- C6 H16 Cd Cl4 N2 O -","- C6 H16 Cd Cl4 N2 O -","- C24 H64 Cd4 Cl16 N8 O4 -","4","1","","Ben Rhaiem, Tarek; Boughzala, Habib","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","Acta Crystallographica Section E","2014","70","5","m178","","10.1107/S1600536814007533","","","0.71073","MoKα","","0.0513","0.048","","","0.1312","0.1338","","","","","","1.194","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2239332","10.3091","0.0004","9.1309","0.0004","29.2552","0.0013","90","","90","","90","","2753.8","0.2","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","TK5301","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","Acta Crystallographica Section E","2014","70","5","o545","","10.1107/S1600536814007764","","","1.54178","CuKα","","0.0387","0.0364","","","0.0948","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239333","12.568","0.003","11.081","0.002","19.688","0.004","90","","98.04","0.03","90","","2714.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate","","- C28 H32 N2 O8 -","- C28 H32 N2 O8 -","- C112 H128 N8 O32 -","4","0.5","BG2524","Qiu, Zhen-Zhe; Jing, Bi; Li, Qiu-Xia; Zhu, Ai-Xin","4,4'-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate","Acta Crystallographica Section E","2014","70","5","o534","o535","10.1107/S1600536814006795","","","0.71073","MoKα","","0.0492","0.042","","","0.1245","0.1316","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239334","18.585","0.009","10.4918","0.0017","11.094","0.003","90","","119.23","0.03","90","","1887.8","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H4 Cl N O5 -","- C10 H4 Cl N O5 -","- C80 H32 Cl8 N8 O40 -","8","1","","Ishikawa, Yoshinobu","6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o547","","10.1107/S1600536814007788","","","0.71069","MoKα","","","0.0353","","","","0.0976","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239335","13.5755","0.0015","6.2829","0.0007","22.514","0.003","90","","91.033","0.002","90","","1920","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","{[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene","","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","","Moussa, Ziad; Al-Masri, Harbi Tomah; Shraim, Amjed; Fettouhi, Mohammed","{[2-Methyl-2-(phenoxymethyl)propane-1,3-diyl]bis(oxy)}dibenzene","Acta Crystallographica Section E","2014","70","5","o539","","10.1107/S1600536814007594","","","0.71073","MoKα","","0.1097","0.0498","","","0.1018","0.1238","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239336","16.7802","0.0003","14.669","0.0003","18.4735","0.0004","90","","90","","90","","4547.23","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C216 H224 N16 O32 -","8","1","","Vijayakumar, Vinodhkumar; Peters, Gunther H.; Suresh, M.; Raghavachary, Raghunathan; Jagadeesan, G.","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","5","o540","","10.1107/S1600536814007065","","","0.71073","MoKα","","0.0581","0.0385","","","0.0973","0.1109","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239337","10.1378","0.0004","9.7173","0.0004","13.8801","0.0006","90","","93.704","0.002","90","","1364.5","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1,3-bis(1H-imidazol-1-yl)propane-κ^2^N^3^:N^3'^]bis(dichloridozinc) dihydrate","","- C18 H28 Cl4 N8 O2 Zn2 -","- C18 H28 Cl4 N8 O2 Zn2 -","- C36 H56 Cl8 N16 O4 Zn4 -","2","0.5","WM5017","Wang, Xiao-Juan; Feng, Yun-Long","Bis[μ-1,3-bis(1H-imidazol-1-yl)propane-κ^2^N^3^:N^3'^]bis(dichloridozinc) dihydrate","Acta Crystallographica Section E","2014","70","5","m184","","10.1107/S1600536814008162","","","0.71073","MoKα","","","0.0296","","","0.079","0.0871","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239338","16.6651","0.0019","8.3464","0.0009","11.471","0.0013","90","","103.063","0.002","90","","1554.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(4-Fluorophenyl-κC)(N,N,N',N'-tetramethylethylenediamine-κ^2^N,N')(trifluoromethyl-κC)palladium(II)","","- C13 H20 F4 N2 Pd -","- C13 H20 F4 N2 Pd -","- C52 H80 F16 N8 Pd4 -","4","1","","Du, Youzhi; Zheng, ChangGe","(4-Fluorophenyl-κC)(N,N,N',N'-tetramethylethylenediamine-κ^2^N,N')(trifluoromethyl-κC)palladium(II)","Acta Crystallographica Section E","2014","70","5","m179","","10.1107/S1600536814007855","","","0.71073","MoKα","","0.0289","0.0262","","","0.0655","0.0671","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239339","6.6335","0.0006","16.925","0.003","9.5078","0.0006","90","","92.113","0.006","90","","1066.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","ZS2285","dos Santos, Alexsandro F.; Cristiano, Rodrigo; Athayde-Filho, Petrônio F.; Bortoluzzi, Adailton J.","2-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl acetate","Acta Crystallographica Section E","2014","70","5","o559","","10.1107/S1600536814007946","","","0.71069","MoKα","","0.0683","0.044","","","0.1234","0.1359","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239340","9.4018","0.0001","13.0108","0.0001","13.3035","0.0001","113.968","0.001","105.377","0.001","100.213","0.001","1356.7","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-Benzyl-2-chloroquinazolin-4-amine","","- C15 H12 Cl N3 -","- C15 H12 Cl N3 -","- C60 H48 Cl4 N12 -","4","2","LH5690","Mohamed, Tarek; Assoud, Abdeljalil; Rao, Praveen P. N.","N-Benzyl-2-chloroquinazolin-4-amine","Acta Crystallographica Section E","2014","70","5","o554","","10.1107/S1600536814006746","","","0.71073","MoKα","","0.0514","0.0394","","","0.0795","0.0857","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239341","7.08","0.0003","9.8644","0.0003","10.6156","0.0004","90","","90","","90","","741.39","0.05","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","β-D-Gulose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ishii, Tomohiko; Ohga, Shunsuke; Fukada, Kazuhiro; Morimoto, Kenji; Sakane, Genta","β-D-Gulose","Acta Crystallographica Section E","2014","70","5","o569","","10.1107/S1600536814008046","","","1.54187","CuKα","","","0.0354","","","","0.0729","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239342","8.8813","0.0003","6.5976","0.0002","26.5044","0.0008","90","","97.635","0.001","90","","1539.26","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","BH2497","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o567","","10.1107/S1600536814008149","","","0.71073","MoKα","","0.0414","0.0307","","","0.0746","0.0805","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239343","8.8707","0.0002","6.5281","0.0002","26.3574","0.0006","90","","96.998","0.001","90","","1514.96","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Chloro-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C68 H60 Cl4 O12 S4 -","4","1","IM2452","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-2,7-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o568","","10.1107/S1600536814007892","","","0.71073","MoKα","","0.0419","0.0349","","","0.092","0.097","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239344","13.208","0.009","10.783","0.006","17.255","0.011","90","","112.33","0.02","90","","2273","2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimidin-3-yl)acetate dichloromethane monosolvate","","- C19 H25 Cl2 N5 O4 -","- C19 H25 Cl2 N5 O4 -","- C76 H100 Cl8 N20 O16 -","4","1","ZP2013","Hudson, Robert H. E.; Moustafa, Mohamed E.; Boyle, Paul D.","(E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimidin-3-yl)acetate dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","5","o556","o557","10.1107/S1600536814007521","","","0.71073","MoKα","","0.1093","0.0505","","","0.1057","0.1282","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239345","6.5743","0.0018","6.967","0.003","10.35","0.004","71.02","0.03","85.53","0.03","70.67","0.03","422.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Bromo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C20 H10 Br2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Bromo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o555","","10.1107/S160053681400796X","","","0.71069","MoKα","","","0.0296","","","","0.0766","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239346","5.347","0.0003","21.0622","0.0012","17.0379","0.0009","90","","97.699","0.003","90","","1901.5","0.18","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1H-benzimidazole","","- C24 H25 N3 -","- C24 H25 N3 -","- C96 H100 N12 -","4","1","RZ5115","Anĝay, Fırat; Çelik, Ömer; Barlık, Orhan; Ulusoy, Mahmut","1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1H-benzimidazole","Acta Crystallographica Section E","2014","70","5","o563","o564","10.1107/S1600536814007934","","","0.71073","MoKα","","0.0636","0.0521","","","0.1414","0.1499","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239347","9.3027","0.0006","8.7038","0.0005","14.5503","0.0008","90","","109.143","0.003","90","","1112.97","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate","","- C8 H11 Cl N4 O S -","- C8 H11 Cl N4 O S -","- C32 H44 Cl4 N16 O4 S4 -","4","1","","Sundaresan, C. N.; Singh, Dheeraj Kumar; Nanubolu, Jagadeesh Babu","2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2014","70","5","o553","","10.1107/S1600536814006837","","","0.71073","MoKα","","0.0339","0.0315","","","0.0813","0.0829","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239348","15.7726","0.0009","15.7726","0.0009","3.8399","0.0006","90","","90","","90","","955.27","0.17","298","2","298","2","","","","","","","","3","I 4/m","-I 4","87","","Nonaniobium vanadium pentacosaoxide","","- Nb9 O25 V -","- Nb9 O25 V -","- Nb18 O50 V2 -","2","0.125","VN2081","Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed","β-Nb9VO25","Acta Crystallographica Section E Structure Reports Online","2014","70","5","i20","","10.1107/S1600536814007831","","","0.71073","MoKα","","0.0826","0.0344","","","0.0709","0.0856","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239349","10.715","0.0003","11.1039","0.0002","16.3611","0.0004","90","","100.975","0.002","90","","1911.01","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","","- C24 H42 Ce2 O30 -","- C24 H12 Ce2 O30 -","- C48 H24 Ce4 O60 -","2","1","LR2124","Fan, Xiao; Daiguebonne, Carole; Guillou, Olivier; Camara, Magatte","Poly[[nonaaquabis(μ-5-hydroxybenzene-1,3-dicarboxylato)(5-hydroxybenzene-1,3-dicarboxylato)dicerium(III)] hexahydrate]","Acta Crystallographica Section E","2014","70","5","m181","m182","10.1107/S1600536814007727","","","0.71073","MoKα","","0.0423","0.0349","","","0.0838","0.0882","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239350","23.0916","0.0011","23.952","0.0011","8.6426","0.0004","90","","90","","90","","4780.1","0.4","200","2","200","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","","- C48 H54 Cl4 O12 -","- C48 H54 Cl4 O12 -","- C192 H216 Cl16 O48 -","4","0.5","","Yun, Ji Ye; Ahn, Sung Wan; Kim, Dong Hwan; Sim, Wonbo; Lee, Jai Young","2,8,15,18,21,24,31,37,44,47,50,53-Dodecaoxaheptacyclo[52.4.0.0^4,35^.0^6,33^.0^9,14^.0^25,30^.0^38,43^]octapentaconta-1(54),4,6(33),9(14),10,12,25(30),26,28,34,38(43),39,41,55,57-pentadecaene dichloromethane disolvate","Acta Crystallographica Section E","2014","70","5","o558","","10.1107/S1600536814007971","","","0.71073","MoKα","","0.0949","0.0506","","","0.111","0.1361","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239351","7.759","0.01","8.543","0.007","11.047","0.015","103.55","0.11","95.53","0.12","94.6","0.09","704.5","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methyl-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(E)-4-Methyl-N'-[(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2014","70","5","o565","","10.1107/S1600536814008113","","","0.71069","MoKα","","","0.0539","","","","0.1869","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239352","6.5377","0.0001","9.1848","0.0002","23.2699","0.0005","90","","90","","90","","1397.3","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzyl-α-L-rhamnopyranoside","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Pendrill, Robert; Eriksson, Lars; Widmalm, Göran","Methyl 4-O-benzyl-α-L-rhamnopyranoside","Acta Crystallographica Section E","2014","70","5","o561","o562","10.1107/S1600536814007922","","","0.71073","MoKα","","0.0446","0.0346","","","0.0782","0.0814","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239353","9.3611","0.0018","12.022","0.002","25.358","0.005","90","","91.536","0.004","90","","2852.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1102","(2.2.2-Cryptand)potassium tetracarbonylcobaltate(-I)","","- C22 H36 Co K N2 O10 -","- C22 H36 Co K N2 O10 -","- C88 H144 Co4 K4 N8 O40 -","4","1","NK2222","Brennessel, William W.; Ellis, John E.","(2.2.2-Cryptand)potassium tetracarbonylcobaltate({-}I)","Acta Crystallographica Section E","2014","70","5","m180","","10.1107/S1600536814006758","","","0.71073","MoKα","","0.0637","0.04","","","0.085","0.0931","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239354","7.7658","0.0002","8.3529","0.0003","12.9732","0.0004","74.253","0.002","75.048","0.002","66.046","0.001","729.66","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C34 H30 F2 O6 S2 -","2","1","ZQ2222","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o566","","10.1107/S1600536814007909","","","0.71073","MoKα","","0.0432","0.0378","","","0.1002","0.1043","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239355","7.0253","0.0009","10.907","0.0014","11.3218","0.0014","99.345","0.002","99.266","0.002","102.513","0.002","818.17","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid","","- C20 H13 N5 O2 -","- C20 H13 N5 O2 -","- C40 H26 N10 O4 -","2","1","MW2121","Shuai, Ying; Wang, Xiang-Yang; Dai, Jing-Wei; Wu, Jian-Zhong","2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid","Acta Crystallographica Section E","2014","70","5","o577","o578","10.1107/S1600536814008496","","","0.71073","MoKα","","0.0992","0.0493","","","0.1082","0.1369","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239356","13.9312","0.0011","9.2315","0.0007","27.423","0.002","90","","90","","90","","3526.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[aquazinc(II)]-μ-N,N'-bis(2-cyano-\ 3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","NK2220","Fuchs, Monica; Zevaco, Thomas; Dinjus, Eckhard; Walter, Olaf","catena-Poly[[aquazinc(II)]-μ-N,N'-bis(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","Acta Crystallographica Section E","2014","70","5","m187","m188","10.1107/S1600536814008381","","","0.71073","MoKα","","0.028","0.0231","","","0.0606","0.0633","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239357","8.84813","0.00017","12.5563","0.0002","18.4384","0.0004","90","","102.363","0.002","90","","2001","0.07","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","","- C23 H20 Br N O2 S -","- C23 H20 Br N O2 S -","- C92 H80 Br4 N4 O8 S4 -","4","1","SU2721","Kaur, Manpreet; Jasinski, Jerry P.; Yamuna, Thammarse S.; Yathirajan, H. S.; Byrappa, K.","{2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o581","o582","10.1107/S1600536814008290","","","1.54184","CuKα","","0.0356","0.0315","","","0.0833","0.0866","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239358","11.5386","0.00018","5.387","0.00009","23.2433","0.0004","90","","92.1048","0.0016","90","","1443.79","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","BT6975","Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen","1-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione","Acta Crystallographica Section E","2014","70","5","o588","","10.1107/S1600536814008423","","","1.54184","CuKα","","0.0518","0.0447","","","0.1179","0.1234","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239359","8.3066","0.0004","10.4856","0.0005","11.2303","0.0007","79.623","0.002","89.868","0.002","82.357","0.002","953.37","0.09","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-dihydroxyphenyl)ethanaminium nitrate","","- C8 H12 N2 O5 -","- C8 H12 N2 O5 -","- C32 H48 N8 O20 -","4","2","BG2526","Gatfaoui, Sofian; Marouani, Houda; Roisnel, Thierry; Dhaouadi, Hassouna","Dopaminium nitrate","Acta Crystallographica Section E","2014","70","5","o571","o572","10.1107/S1600536814008265","","","0.71073","MoKα","","0.0521","0.0427","","","0.1077","0.1133","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239360","7.3064","0.0015","9.1055","0.0018","9.7291","0.0019","96.47","0.03","101.68","0.03","109.83","0.03","584.6","0.3","123.15","","123","2","","","","","","","","4","P -1","-P 1","2","","1,10-Phenanthroline-5,6-dione ethanol monosolvate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","XU5783","Dai, Jing-Wei; Li, Zhao-Yang; Sato, Osamu","1,10-Phenanthroline-5,6-dione ethanol monosolvate","Acta Crystallographica Section E","2014","70","5","o573","","10.1107/S1600536814008241","","","0.71073","MoKα","","0.0424","0.0395","","","0.1111","0.1141","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239361","8.367","0.0002","9.4319","0.0002","12.8948","0.0004","102.505","0.001","106.493","0.001","94.84","0.001","940.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate","","- C20 H16 N2 O5 S -","- C20 H16 N2 O5 S -","- C40 H32 N4 O10 S2 -","2","1","RZ5118","Bakhouch, Mohamed; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate","Acta Crystallographica Section E","2014","70","5","o587","","10.1107/S1600536814008538","","","0.71073","MoKα","","0.0542","0.0436","","","0.1262","0.1365","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239362","7.0836","0.0003","11.7898","0.0003","14.2951","0.0004","78.079","0.002","79.862","0.003","73.782","0.003","1112.68","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","Aquabis(1,10-phenanthroline-κ^2^N,N')copper(II) dinitrate","","- C24 H18 Cu N6 O7 -","- C24 H18 Cu N6 O7 -","- C48 H36 Cu2 N12 O14 -","2","1","IM2451","Boutebdja, Mehdi; Lehleh, Asma; Beghidja, Adel; Setifi, Zouaoui; Merazig, Hocine","A new polymorph of aquabis(1,10-phenanthroline-κ^2^N,N')copper(II) dinitrate","Acta Crystallographica Section E","2014","70","5","m185","m186","10.1107/S1600536814008198","","","0.71073","MoKα","","0.066","0.0576","","","0.1654","0.1723","","","","","","1.172","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239363","6.0205","0.0003","12.9441","0.0006","17.1071","0.0009","90","","90","","90","","1333.16","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","","- C12 H15 F N2 O2 S -","- C12 H15 F N2 O2 S -","- C48 H60 F4 N8 O8 S4 -","4","1","BQ2395","Awang, Nor Wahida.; Hasbullah, Siti Aishah; Yusoff, Siti Fairus M.; Yamin, Bohari M.","N-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","Acta Crystallographica Section E","2014","70","5","o570","","10.1107/S1600536814008174","","","0.71073","MoKα","","0.0462","0.0362","","","0.0817","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239364","8.6652","0.0001","9.4596","0.0001","10.3457","0.0001","105.545","0.0007","98.9293","0.0007","101.537","0.0006","780.669","0.015","223","","223","","","","","","","","","4","P -1","-P 1","2","2DBNS","N,N'-(Ethane-1,2-diyl)dibenzenecarbothioamide","","- C16 H16 N2 S2 -","- C16 H16 N2 S2 -","- C32 H32 N4 S4 -","2","1","IS5357","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","N,N'-(Ethane-1,2-diyl)dibenzenecarbothioamide","Acta Crystallographica Section E","2014","70","5","o586","","10.1107/S1600536814008368","","","1.54178","CuKα","","0.0314","0.0293","","","0.0816","0.0834","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239365","8.7823","0.0003","9.6068","0.0003","12.4894","0.0004","90","","94.834","0.003","90","","1049.98","0.06","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","(Z)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","(Z)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","","- C26 H28 N2 -","- C26 H28 N2 -","- C52 H56 N4 -","2","1","HB7219","Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P.","(Z)-1-Diphenylmethyl-4-(3-phenylprop-2-enyl)piperazine","Acta Crystallographica Section E","2014","70","5","o576","","10.1107/S1600536814008289","","","1.54184","CuKα","","0.0367","0.0351","","","0.0946","0.0963","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239366","24.2105","0.0013","24.2105","0.0013","15.7745","0.0009","90","","90","","120","","8007.4","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one","","- C18 H19 Br N2 O4 -","- C18 H19 Br N2 O4 -","- C324 H342 Br18 N36 O72 -","18","1","SU2714","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one including an unknown solvate","Acta Crystallographica Section E","2014","70","5","o579","o580","10.1107/S1600536814007983","","","0.71073","MoKα","","0.0507","0.0379","","","0.1008","0.1053","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239367","7.853","0.0019","5.602","0.0017","17.987","0.005","90","","95.09","0.02","90","","788.2","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Ishikawa, Yoshinobu","6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","5","o583","","10.1107/S1600536814008502","","","0.71069","MoKα","","","0.036","","","","0.1063","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239368","10.8558","0.0015","6.1867","0.0009","12.3057","0.0017","90","","94.911","0.004","90","","823.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-Ethyl S-{(S)-1-oxo-1-[(R)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","","- C15 H17 N O4 S2 -","- C15 H17 N O4 S2 -","- C30 H34 N2 O8 S4 -","2","1","SU2715","García-Merinos, J. Pablo; López-Ruiz, Heraclio; López, Yliana; Rojas-Lima, Susana","O-Ethyl S-{(S)-1-oxo-1-[(R)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate","Acta Crystallographica Section E","2014","70","5","o584","o585","10.1107/S1600536814007636","","","0.71073","MoKα","","0.1195","0.0665","","","0.1489","0.1908","","","","","","0.871","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239369","6.297","0.003","16.418","0.008","12.29","0.006","90","","90.997","0.007","90","","1270.4","1.1","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C11 H11 Cl N4 O S -","- C11 H11 Cl N4 O S -","- C44 H44 Cl4 N16 O4 S4 -","4","2","HB7205","Yuan, Cai-Xia; Yao, Xu-Mei; Zhu, Miao-Li; Zhu, Hong-Mei","4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","5","o574","o575","10.1107/S1600536814008320","","","0.71073","MoKα","","0.0544","0.0368","","","0.0764","0.0841","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239370","7.0109","0.0004","10.6617","0.0008","10.7454","0.0007","93.075","0.006","95.863","0.005","104.944","0.006","769.3","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1-3-aminopropyl imidazolium 3,5- dinitrosalicylate","3-(1H-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","FJ2659","Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H.S.","3-(1H-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","3","o318","o319","10.1107/S1600536814003146","","","1.54184","CuKα","","0.0475","0.0422","","","0.1151","0.1216","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239371","12.437","0.003","12.437","0.003","17.29","0.004","90","","90","","90","","2674.4","1.1","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(dicyclohexylammonium) sulfate dihydrate","","- C24 H52 N2 O6 S -","- C24 H52 N2 O6 S -","- C96 H208 N8 O24 S4 -","4","0.25","","Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse","Bis(dicyclohexylammonium) sulfate dihydrate","Acta Crystallographica Section E","2014","70","3","o237","","10.1107/S1600536814000968","","","0.71073","MoKα","","0.0278","0.0257","","","0.072","0.0745","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239372","9.9819","0.0004","10.0564","0.0004","13.6641","0.0006","99.539","0.002","92.087","0.002","99.122","0.002","1332.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-benzyl-1H-benzimidazole-κN^3^)dichloridozinc","","- C28 H24 Cl2 N4 Zn -","- C28 H24 Cl2 N4 Zn -","- C56 H48 Cl4 N8 Zn2 -","2","1","RZ5104","Bouhfid, Rachid; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Bis(1-benzyl-1H-benzimidazole-κN^3^)dichloridozinc","Acta Crystallographica Section E","2014","70","3","m94","m95","10.1107/S1600536814002840","","","0.71073","MoKα","","0.0527","0.0387","","","0.0968","0.1075","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239373","15.411","0.003","7.235","0.001","7.604","0.001","90","","91.65","0.03","90","","847.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis[N-(2-fluorobenzyl)-N-nitrosohydroxylaminato-κ^2^O,O']nickel(II)","","- C14 H16 F2 N4 Ni O6 -","- C14 H16 F2 N4 Ni O6 -","- C28 H32 F4 N8 Ni2 O12 -","2","0.5","BV2230","Kovalchukova, Olga; Bostanabad, Ali Sheikh; Stash, Adam; Strashnova, Svetlana; Zyuzin, Igor","Diaquabis[N-(2-fluorobenzyl)-N-nitrosohydroxylaminato-κ^2^O,O']nickel(II)","Acta Crystallographica Section E","2014","70","3","m98","m99","10.1107/S1600536814002876","","","0.71073","MoKα","","0.0675","0.0222","","","0.0627","0.0661","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239374","10.1936","0.0008","24.1959","0.0018","6.3218","0.0004","90","","91.161","0.004","90","","1558.9","0.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Tetracalcium magnesium tetrairon(III) hexakis-phosphate tetrahydroxide dodecahydrate","","- Al1.07 Ca3.94 Fe2.93 H28 Mg1.01 O40 P6 Sr0.06 -","- Al1.07 Ca3.94 Fe2.93 H20 Mg1.01 O40 P6 Sr0.06 -","- Al2.14 Ca7.88 Fe5.86 H40 Mg2.02 O80 P12 Sr0.12 -","2","0.25","WM5004","Lafuente, Barbara; Downs, Robert T.; Yang, Hexiong; Jenkins, Robert A.","Calcioferrite with composition (Ca~3.94~Sr~0.06~)Mg~1.01~(Fe~2.93~Al~1.07~)(PO~4~)~6~(OH)~4~·12H~2~O","Acta Crystallographica Section E","2014","70","3","i16","i17","10.1107/S1600536814004061","","","0.71073","MoKα","","0.0646","0.0385","","","0.0853","0.094","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239375","16.9967","0.0006","8.599","0.0003","12.415","0.0005","90","","90.923","0.003","90","","1814.27","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Piperonylpiperazinium p-chlorobenzoate","1-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-ium 4-chlorobenzoate","","- C19 H21 Cl N2 O4 -","- C19 H21 Cl N2 O4 -","- C76 H84 Cl4 N8 O16 -","4","1","LH5687","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium 4-chlorobenzoate","Acta Crystallographica Section E","2014","70","3","o283","o284","10.1107/S1600536814002037","","","0.71073","MoKα","","0.0754","0.0475","","","0.1046","0.1195","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239376","11.7872","0.0012","5.3498","0.0005","13.8817","0.0014","90","","99.913","0.001","90","","862.3","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Diaquabis(cinnamato-κ^2^O,O')cadmium","","- C18 H18 Cd O6 -","- C18 H18 Cd O6 -","- C36 H36 Cd2 O12 -","2","0.5","LH5688","Chooset, Sirinart; Cunningham, Bryan; Kantacha, Anob; Zeller, Matthias; Wongnawa, Sumpun","Diaquabis(cinnamato-κ^2^O,O')cadmium","Acta Crystallographica Section E","2014","70","3","m106","m107","10.1107/S160053681400364X","","","0.71073","MoKα","","0.0198","0.0197","","","0.0458","0.0459","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239377","15.6587","0.0005","6.9359","0.0003","30.1928","0.0016","90","","90","","90","","3279.2","0.2","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","[N,N'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^N,N']dibromidonickel(II)","","- C36 H40 Br2 N2 Ni -","- C36 H40 Br2 N2 Ni -","- C144 H160 Br8 N8 Ni4 -","4","0.5","","Yuan, Jianchao; Xia, Jingjing; Xu, Weibing; Mu, Yanqiong","[N,N'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^N,N']dibromidonickel(II)","Acta Crystallographica Section E","2014","70","3","m102","","10.1107/S160053681400292X","","","0.71073","MoKα","","0.0736","0.043","","","0.0853","0.096","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239378","35.544","0.004","6.1194","0.0005","16.505","0.0019","90","","113.273","0.004","90","","3297.9","0.6","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","FK2079","Geiger, David K.; DeStefano, Matthew R.","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole","Acta Crystallographica Section E","2014","70","3","o365","","10.1107/S1600536814003870","","","0.71073","MoKα","","0.0873","0.0556","","","0.1367","0.1539","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239379","7.3269","0.0007","9.8923","0.0011","10.7668","0.0011","102.408","0.009","109.255","0.009","98.951","0.009","697.48","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","BT6962","Umesha, Basavaiah; Basavaraju, Yeriyur Basavaiah; Kaur, Manpreet; Yathirajan, Hemmige S.; Jasinski, Jerry P.","1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2014","70","3","o368","","10.1107/S160053681400378X","","","1.54184","CuKα","","0.057","0.0511","","","0.1427","0.1515","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239380","10.083","0.0005","10.2775","0.0005","34.6579","0.0017","97.54","0.003","96.028","0.003","97.138","0.003","3505.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","4","BH2494","Nagalakshmi, R. A.; Suresh, J.; Kumar, R. Ranjith; Jeyachandran, V.; Lakshman, P. L. Nilantha","(3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one","Acta Crystallographica Section E","2014","70","3","o279","o280","10.1107/S1600536814002712","","","0.71073","MoKα","","0.0897","0.069","","","0.1758","0.1876","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239381","8.052","0.0005","10.4193","0.0007","10.531","0.0011","108.423","0.004","95.142","0.004","111.617","0.003","757.71","0.11","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2,2'-dinitrobiphenyl-4,4'-dicarboxylate","","- C16 H12 N2 O8 -","- C16 H12 N2 O8 -","- C32 H24 N4 O16 -","2","1","","Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Dimethyl 2,2'-dinitrobiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","3","o305","","10.1107/S1600536814003067","","","0.71073","MoKα","","0.0442","0.0343","","","0.089","0.0956","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239382","9.3748","0.0013","18.598","0.003","10.0941","0.0014","90","","101.044","0.002","90","","1727.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione","","- C19 H17 P S2 -","- C19 H17 P S2 -","- C76 H68 P4 S8 -","4","1","WM5008","Gessner, Viktoria H.","Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione","Acta Crystallographica Section E","2014","70","3","o374","","10.1107/S1600536814004292","","","0.71073","MoKα","","0.0386","0.034","","","0.0876","0.0908","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239383","7.5159","0.0001","14.0478","0.0003","18.205","0.0003","90","","90","","90","","1922.12","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3-phenylimidazolidine-2-thione","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C80 H96 N16 S8 -","8","2","","Nor, Nabihah Al Muna Mohd; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3-phenylimidazolidine-2-thione","Acta Crystallographica Section E","2014","70","3","o334","","10.1107/S1600536814003626","","","1.54184","CuKα","","0.0341","0.0327","","","0.0885","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239384","11.3478","0.0011","3.7101","0.0005","27.723","0.002","90","","94.979","0.009","90","","1162.8","0.2","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-formyl-2-nitrophenyl benzoate","4-Formyl-2-nitrophenyl benzoate","","- C14 H9 N O5 -","- C14 H9 N O5 -","- C56 H36 N4 O20 -","4","1","HG5380","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.","4-Formyl-2-nitrophenyl benzoate","Acta Crystallographica Section E","2014","70","3","o268","","10.1107/S1600536814002694","","","1.5418","CuKα","","0.0979","0.0647","","","0.1551","0.1902","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239385","7.852","0.002","10.616","0.003","12.2","0.003","70.774","0.009","77.8","0.009","84.172","0.01","938","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate","","- C19 H21 O9 P -","- C19 H21 O9 P -","- C38 H42 O18 P2 -","2","1","BH2491","Hussain, Saghir; Deli, Yang; Parveen, Shagufta; Hao, Xin; Zhu, Changjin","Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate","Acta Crystallographica Section E","2014","70","3","o269","","10.1107/S1600536814002542","","","0.71073","MoKα","","0.0476","0.0396","","","0.0972","0.1024","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239386","6.4461","0.0001","8.4063","0.0002","12.4249","0.0002","82.172","0.001","78.24","0.001","89.465","0.001","652.89","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Dichloridodimethylbis(thiourea-κS)tin(IV)","","- C4 H14 Cl2 N4 S2 Sn -","- C4 H14 Cl2 N4 S2 Sn -","- C8 H28 Cl4 N8 S4 Sn2 -","2","1","WM5003","Sow, Yaya; Diop, Libasse; Fernandes, Manuel A.; Stoeckli-Evans, Helen","Dichloridodimethylbis(thiourea-κS)tin(IV)","Acta Crystallographica Section E","2014","70","3","m83","","10.1107/S1600536814002025","","","0.71073","MoKα","","0.0246","0.0211","","","0.0522","0.0534","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239387","9.681","0.0004","10.429","0.0004","11.884","0.0005","69.288","0.002","74.895","0.002","63.406","0.002","996.03","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(2,4-Difluorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","","- C23 H24 F2 O3 -","- C23 H24 F2 O3 -","- C46 H48 F4 O6 -","2","1","SU2696","Rizwana Begum, S.; Hema, R.; Sumathi, G.; Valliappan, R.; Srinivasan, N.","9-(2,4-Difluorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione","Acta Crystallographica Section E","2014","70","3","o276","o277","10.1107/S1600536814002761","","","0.71073","MoKα","","0.0822","0.0475","","","0.1267","0.1471","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239388","23.166","0.005","11.003","0.002","9.633","0.0019","90","","91.67","0.03","90","","2454.4","0.8","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","r-1,t-3-Bis[4-(dimethylamino)phenyl]-c-2,t-4-bis(pyridin-4-yl)cyclobutane","","- C30 H32 N4 -","- C30 H32 N4 -","- C120 H128 N16 -","4","0.5","MW2110","Zhang, Shuguang; Zhuang, Junpeng","r-1,t-3-Bis[4-(dimethylamino)phenyl]-c-2,t-4-bis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section E","2014","70","3","o311","","10.1107/S1600536814002311","","","0.71073","MoKα","","0.0565","0.045","","","0.1133","0.1209","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239389","3.8338","0.0004","12.6784","0.0013","24.918","0.002","81.875","0.008","88.386","0.007","85.46","0.008","1195.1","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","4-Bromo-N-(2-nitrophenyl)benzamide","4-Bromo-N-(2-nitrophenyl)-benzamide","","- C13 H9 Br N2 O3 -","- C13 H9 Br N2 O3 -","- C52 H36 Br4 N8 O12 -","4","2","GG2134","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","4-Bromo-N-(2-nitrophenyl)benzamide","Acta Crystallographica Section E","2014","70","3","o344","","10.1107/S1600536814003298","","","0.71073","MoKα","","0.0711","0.0491","","","0.1176","0.1354","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239390","7.0939","0.0007","7.9452","0.0007","8.5658","0.0006","80.464","0.007","85.76","0.007","63.881","0.009","427.5","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-ynyl)indoline-2,3-dione","","- C11 H7 N O2 -","- C11 H7 N O2 -","- C22 H14 N2 O4 -","2","1","TK5296","Qachchachi, Fatima-Zahrae; Ouazzani Chahdi, Fouad; Misbahi, Houria; Bodensteiner, Michael; El Ammari, Lahcen","1-(Prop-2-ynyl)indoline-2,3-dione","Acta Crystallographica Section E","2014","70","3","o360","","10.1107/S1600536814003973","","","1.54184","CuKα","","0.0426","0.0372","","","0.0902","0.0942","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239391","8.7866","0.0002","9.6082","0.0002","21.0088","0.0005","90","","90","","90","","1773.63","0.07","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Melampomagnolide B","4-(((1aR,7aS,10aS,10bS,E)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-5-yl)methoxy)-4-oxobutanoic acid","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","SJ5379","Janganati, Venumadhav; Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","Monosuccinate ester of melampomagnolide B","Acta Crystallographica Section E","2014","70","3","o372","o373","10.1107/S1600536814002815","","","1.54178","CuKα","","0.024","0.0239","","","0.0621","0.0622","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239392","5.4014","0.0001","11.5633","0.0003","9.6283","0.0002","90","","101.837","0.003","90","","588.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(pyridazine-3-carboxylato-κ^2^N^2^,O)copper(II)","","- C10 H10 Cu N4 O6 -","- C10 H10 Cu N4 O6 -","- C20 H20 Cu2 N8 O12 -","2","0.5","IS5342","Pache, Aroa; Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.","trans-Diaquabis(pyridazine-3-carboxylato-κ^2^N^2^,O)copper(II)","Acta Crystallographica Section E","2014","70","3","m114","m115","10.1107/S1600536814004334","","","0.71073","MoKα","","0.032","0.0272","","","0.0619","0.0654","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239393","7.425","0.0002","10.5716","0.0003","12.0747","0.0003","90","","90.124","0.002","90","","947.79","0.04","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2014","70","3","o317","","10.1107/S1600536814002748","","","1.54184","CuKα","","0.0288","0.0286","","","0.0748","0.075","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239394","18.108","0.0005","9.3834","0.0003","11.4821","0.0004","90","","96.015","0.003","90","","1940.24","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide","","- C20 H19 N O4 S2 -","- C20 H19 N O4 S2 -","- C80 H76 N4 O16 S8 -","4","0.5","SU2692","Eren, Bilge; Demir, Selçuk; Dal, Hakan; Hökelek, Tuncer","4-Methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o238","o239","10.1107/S1600536814002086","","","0.71073","MoKα","","0.049","0.0377","","","0.101","0.1089","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239395","14.4105","0.001","10.9408","0.0009","16.0924","0.0013","90","","94.235","0.004","90","","2530.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C136 H100 N4 O12 -","4","1","","Sandhya, R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","[2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)","Acta Crystallographica Section E","2014","70","3","o354","o355","10.1107/S1600536814003250","","","0.71073","MoKα","","0.0931","0.0536","","","0.1414","0.1814","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239396","18.758","0.0011","7.7476","0.0004","24.1784","0.0014","90","","101.165","0.001","90","","3447.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Thiocarbamoylpyridine hydroiodide","","- C6 H7 I N2 S -","- C6 H7 I N2 S -","- C96 H112 I16 N32 S16 -","16","2","RN2122","Shotonwa, Ibukun O.; Boeré, René T.","4-Thiocarbamoylpyridin-1-ium iodide","Acta Crystallographica Section E","2014","70","3","o340","o341","10.1107/S1600536814003511","","","0.71073","MoKα","","0.0163","0.0144","","","0.0329","0.0336","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239397","15.649","0.002","5.681","0.003","27.23","0.002","90","","104.05","0.02","90","","2348.4","1.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)","","- C9 H16 N2 O8 -","- C9 H16 N2 O8 -","- C72 H128 N16 O64 -","8","1","ZL2578","Essid, Manel; Marouani, Houda; Rzaigui, Mohamed","1-Methylpiperazine-1,4-dium bis(hydrogen oxalate)","Acta Crystallographica Section E","2014","70","3","o326","o327","10.1107/S1600536814003559","","","0.56083","AgKα","","0.095","0.0519","","","0.1375","0.1617","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239398","12.9164","0.0004","17.6167","0.0005","12.4548","0.0005","90","","98.135","0.002","90","","2805.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxo-4'-phenylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate chloroform monosolvate","","- C30 H31 Cl3 N2 O3 -","- C30 H31 Cl3 N2 O3 -","- C120 H124 Cl12 N8 O12 -","4","1","SU2703","Karthikeyan, S.; Narayanan, P.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxo-4'-phenylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate chloroform monosolvate","Acta Crystallographica Section E","2014","70","3","o377","o378","10.1107/S1600536814004073","","","0.71073","MoKα","","0.0951","0.0522","","","0.1352","0.1613","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239399","14.04454","0.00017","14.04454","0.00017","14.2657","0.0003","90","","90","","90","","2813.9","0.08","100","2","100.15","","","","","","","","","8","P 41","P 4w","76","","mer-Hydridotris(trimethylphosphane-κP)(D-valinato-κ^2^N,O)iridium hexafluoridophosphate dichloromethane 0.675-solvate","","- C14.68 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C14.675 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C58.7 H157.4 Cl5.4 F24 Ir4 N4 O8 P16 -","4","1","PK2516","Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K.","mer-Hydridotris(trimethylphosphane-κP)(D-valinato-κ^2^N,O)iridium hexafluoridophosphate dichloromethane 0.675-solvate","Acta Crystallographica Section E","2014","70","3","m82","","10.1107/S1600536814002165","","","0.71073","MoKα","","0.0467","0.0307","","","0.0446","0.0461","","","","","","0.805","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239400","10.7954","0.0003","10.1809","0.0002","20.839","0.0005","90","","90","","90","","2290.35","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-N-(4-methylpyridin-2-yl)propanamide","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Hegazy, Amany S.; Kariuki, Benson M.","2,2-Dimethyl-N-(4-methylpyridin-2-yl)propanamide","Acta Crystallographica Section E","2014","70","3","o351","o352","10.1107/S1600536814003729","","","1.54184","CuKα","","0.0599","0.046","","","0.1445","0.1539","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239401","7.15257","0.00016","17.2864","0.0004","11.7372","0.0003","90","","112.275","0.001","90","","1342.92","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(acetato-κO)bis(thiourea-κS)cobalt(II)","","- C6 H14 Co N4 O4 S2 -","- C6 H14 Co N4 O4 S2 -","- C24 H56 Co4 N16 O16 S8 -","4","1","SJ5387","Lutz, Martin","Bis(acetato-κO)bis(thiourea-κS)cobalt(II)","Acta Crystallographica Section E","2014","70","3","m78","","10.1107/S1600536814002074","","","0.71073","MoKα","","0.0174","0.0157","","","0.0407","0.0414","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239402","15.1015","0.0008","5.7704","0.0003","9.9549","0.0006","90","","108.262","0.002","90","","823.79","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylphosphonic acid","","- C H5 O3 P -","- C H5 O3 P -","- C8 H40 O24 P8 -","8","2","","Reuter, Hans; Reichelt, Martin","Methylphosphonic acid, CH~3~PO(OH)~2~","Acta Crystallographica Section E","2014","70","3","o353","","10.1107/S1600536814003572","","","0.71073","MoKα","","0.0322","0.028","","","0.0817","0.087","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239403","8.9416","0.0002","10.5152","0.0003","20.5626","0.0005","90","","98.832","0.001","90","","1910.43","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","","- C18 H25 Cl N4 O3 -","- C18 H25 Cl N4 O3 -","- C72 H100 Cl4 N16 O12 -","4","1","SJ5388","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","Acta Crystallographica Section E","2014","70","3","o245","o246","10.1107/S1600536814002256","","","1.54178","CuKα","","0.0478","0.0448","","","0.1157","0.1181","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239404","12.7051","0.0005","14.1724","0.0006","14.0322","0.0006","90","","109.424","0.002","90","","2382.85","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C27 H24 Cl2 N2 O3 -","- C27 H24 Cl2 N2 O3 -","- C108 H96 Cl8 N8 O12 -","4","1","SU2699","Karthikeyan, S.; Narayanan, P.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o335","","10.1107/S1600536814003523","","","0.71073","MoKα","","0.0744","0.0436","","","0.1071","0.1243","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239405","18.9189","0.0016","9.6909","0.0008","21.6179","0.0018","90","","106.212","0.001","90","","3805.8","0.6","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","trans-Chlorido(4-fluorobenzenethiolato-κS)bis(triphenylphosphane-κP)palladium(II) methanol hemisolvate","","- C42.5 H36 Cl F O0.5 P2 Pd S -","- C42.5 H36 Cl F O0.5 P2 Pd S -","- C170 H144 Cl4 F4 O2 P8 Pd4 S4 -","4","1","HP2065","Avila-Sorrosa, Alcives; Santacruz-Juárez, Ericka; Reyes-Arellano, Alicia; Reyes-Martínez, Reyna; Morales-Morales, David","trans-Chlorido(4-fluorobenzenethiolato-κS)bis(triphenylphosphane-κP)palladium(II) methanol hemisolvate","Acta Crystallographica Section E","2014","70","3","m92","m93","10.1107/S1600536814002499","","","0.71073","MoKα","","0.0606","0.043","","","0.1014","0.1103","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239406","9.199","0.003","9.304","0.002","11.327","0.003","74.98","0.03","85.17","0.02","75.2","0.02","905.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate","","- C20 H26 Cl4 N8 O18 P6 -","- C20 H26 Cl4 N8 O18 P6 -","- C20 H26 Cl4 N8 O18 P6 -","1","0.5","FJ2662","Hamdi, Ahmed; Khederi, Lamia; Rzaigui, Mohamed","Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate","Acta Crystallographica Section E","2014","70","3","o342","o343","10.1107/S1600536814003584","","","0.56087","AgKα","","0.1101","0.0557","","","0.133","0.1546","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239407","12.625","0.004","12.625","","12.625","","90","","90","","90","","2012.3","0.6","150","2","150","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Tetracadmium diarsenide tribromide","","- As2 Br3 Cd4 -","- As2 Br3 Cd4 -","- As16 Br24 Cd32 -","8","0.333333","VN2080","Kars, Mohammed; Roisnel, Thierry; Dorcet, Vincent; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Cd~4~As~2~Br~3~","Acta Crystallographica Section E","2014","70","3","i15","","10.1107/S160053681400395X","","","0.71073","MoKα","","0.0508","0.0386","","","0.0883","0.0923","","","","","","1.09","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239408","8.7539","0.0003","10.9968","0.0004","17.5801","0.0007","90","","99.231","0.002","90","","1670.43","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one","","- C17 H14 Br N O3 S -","- C17 H14 Br N O3 S -","- C68 H56 Br4 N4 O12 S4 -","4","1","IS5339","Ramathilagam, C.; Umarani, P. R.; Saravanan, V.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one","Acta Crystallographica Section E","2014","70","3","o295","o296","10.1107/S1600536814002864","","","0.71073","MoKα","","0.1081","0.0497","","","0.127","0.1485","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239409","15.1814","0.0005","9.8502","0.0003","13.0943","0.0003","90","","91.843","0.002","90","","1957.11","0.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethylphosphonium trans-tetrachloridobis(trimethylphosphane-κP)iridate(III)","","- C9 H28 Cl4 Ir P3 -","- C9 H28 Cl4 Ir P3 -","- C36 H112 Cl16 Ir4 P12 -","4","0.5","ZL2577","Berg, Michael A.; Davidson, Jesse; Merola, Joseph S.","Trimethylphosphonium trans-tetrachloridobis(trimethylphosphane-κP)iridate(III)","Acta Crystallographica Section E","2014","70","3","m103","","10.1107/S160053681400350X","","","0.71073","MoKα","","0.0392","0.0282","","","0.0713","0.079","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239410","9.765","0.003","13.113","0.004","19.378","0.006","90","","90","","90","","2481.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((E)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Gao, Bing-Fei; Jin, Zhe-Peng; Chen, Jiang; Tian, Yu-Peng","2-((E)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","Acta Crystallographica Section E","2014","70","3","o313","","10.1107/S1600536814003201","","","0.71073","MoKα","","0.0718","0.0437","","","0.0995","0.1129","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239411","8.4543","0.0003","13.6605","0.0005","21.6359","0.0009","90","","90","","90","","2498.73","0.16","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C28 H24 N2 O7 S -","- C28 H24 N2 O7 S -","- C112 H96 N8 O28 S4 -","4","1","LD2120","Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9H-carbazole","Acta Crystallographica Section E","2014","70","3","o336","o337","10.1107/S1600536814003535","","","0.71073","MoKα","","0.0497","0.034","","","0.077","0.0849","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239412","12.2275","0.0018","13.604","0.002","5.8746","0.0009","90","","97.011","0.003","90","","969.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-phenylisoxazole-5-carboxylate","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","SU2682","Wang, Li; Li, Ya-jun; Li, Yao-dong; Zhang, Wei; Xu, Rui","Methyl 3-phenylisoxazole-5-carboxylate","Acta Crystallographica Section E","2014","70","3","o250","","10.1107/S1600536814000038","","","0.71073","MoKα","","0.0848","0.0588","","","0.1204","0.1329","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239413","9.1885","0.0003","14.4631","0.0004","14.6845","0.0004","98.342","0.002","102.17","0.002","93.101","0.002","1880.2","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[dicyanido-2κ^2^C-(1,4,7,10,13,16-\ hexaoxacyclooctadecane-1κ^6^O){μ~3~-\ (2α,2β)-5,10,15,20-tetrakis[2-(2,2-\ dimethylpropanamido)phenyl]porphyrinato-\ 1κO^5^:2κ^4^N,N',N'',N''':\ 1'κO^15^}cobalt(III)potassium] dihydrate]","","- C78 H92 Co K N10 O12 -","- C78 H92 Co K N10 O12 -","- C78 H92 Co K N10 O12 -","1","0.5","","Belghith, Yassine; Toumi, Hamza; Daran, Jean-Claude; Nasri, Habib","A one-dimensional polymeric cobalt(III)‒potassium complex with 18-crown-6, cyanide and porphyrinate ligands","Acta Crystallographica Section E","2014","70","3","m104","m105","10.1107/S1600536814003596","","","0.71073","MoKα","","0.048","0.0358","","","0.1001","0.1049","","","","","","1.068","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239414","15.088","0.002","13.464","0.002","7.0557","0.0012","90","","91.076","0.003","90","","1433.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","- C16 H11 F N4 S -","- C16 H11 F N4 S -","- C64 H44 F4 N16 S4 -","4","1","HB7198","Palakshamurthy, B. S.; Devarajegowda, H. C.; Mohan, N. R.; Sreenivasa, S.; Suchetan, P. A.","6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","Acta Crystallographica Section E","2014","70","3","o375","","10.1107/S1600536814003262","","","0.71073","MoKα","","0.0747","0.0529","","","0.123","0.1338","","","","","","0.942","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239415","8.3125","0.0005","14.2434","0.0006","8.4507","0.0005","90","","104.566","0.005","90","","968.39","0.09","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cesium Cerium (IV) Fluoride","Caesium cerium(IV) pentafluoride","","- Ce Cs F5 -","- Ce Cs F5 -","- Ce8 Cs8 F40 -","8","2","FJ2660","Grzechnik, Andrzej; Underwood, Christopher C.; Kolis, Joseph W.","Twinned caesium cerium(IV) pentafluoride","Acta Crystallographica Section E","2014","70","3","i12","i13","10.1107/S1600536814003286","","","0.71069","MoKα","","0.1054","0.0366","","","0.0336","0.038","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239416","11.5335","0.0005","12.7336","0.0005","15.4615","0.0006","90","","97.209","0.002","90","","2252.77","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Methyl-4,5-dihydrooxazolium tetraphenylborate","","- C28 H28 B N O -","- C28 H28 B N O -","- C112 H112 B4 N4 O4 -","4","1","KP2465","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","3-Methyl-4,5-dihydrooxazolium tetraphenylborate","Acta Crystallographica Section E","2014","70","3","o325","","10.1107/S1600536814003456","","","0.71073","MoKα","","0.074","0.045","","","0.1009","0.1163","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239417","24.5329","0.0015","5.9762","0.0005","7.5944","0.0005","90","","98.536","0.006","90","","1101.11","0.14","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(‒)-(S)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Br2 N2 S -","- C22 H20 Br2 N2 S -","- C44 H40 Br4 N4 S2 -","2","0.5","IS5340","Mendoza, Angel; Bernès, Sylvain; Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René","2,5-Bis{[({-})-(S)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene","Acta Crystallographica Section E","2014","70","3","o345","","10.1107/S1600536814003651","","","0.71073","MoKα","","0.0556","0.0364","","","","0.072","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239418","10.7369","0.0004","9.177","0.0003","35.6567","0.0011","90","","90","","90","","3513.3","0.2","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-b]benzothiazole","","- C20 H21 N3 O S -","- C20 H21 N3 O S -","- C160 H168 N24 O8 S8 -","8","1","","Schollmeyer, Dieter; Detert, Heiner","3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-b]benzothiazole","Acta Crystallographica Section E","2014","70","3","o247","","10.1107/S1600536814002153","","","0.71073","MoKα","","0.0573","0.0465","","","0.1111","0.1191","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239419","13.591","0.002","12.784","0.003","7.216","0.002","90","","104.93","0.02","90","","1211.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis[5-(2-pyrazin-2-yl)tetrazolato]copper(II)‒pyrazine-2-carbonitrile (1/2)","","- C20 H16 Cu N18 O2 -","- C20 H16 Cu N18 O2 -","- C40 H32 Cu2 N36 O4 -","2","0.5","QK2063","Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane; Boudraa, Issam","Diaquabis[5-(2-pyrazin-2-yl)tetrazolato]copper(II)‒pyrazine-2-carbonitrile (1/2)","Acta Crystallographica Section E","2014","70","3","m80","m81","10.1107/S1600536814002293","","","0.71073","MoKα","","0.0344","0.0272","","","0.0699","0.0746","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239420","12.6271","0.0011","13.578","0.0009","10.1997","0.0009","90","","107.94","0.007","90","","1663.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael","6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2014","70","3","o243","","10.1107/S1600536814002128","","","0.71073","MoKα","","0.0498","0.0428","","","0.1101","0.1143","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239421","16.494","0.003","13.082","0.003","6.6008","0.0012","90","","90","","90","","1424.3","0.5","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Santal monohydrate","3-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one monohydrate","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","CV5443","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce","Santal monohydrate, an isoflavone isolated from Wyethia mollis","Acta Crystallographica Section E","2014","70","3","o267","","10.1107/S1600536814002670","","","0.71073","MoKα","","0.0567","0.0394","","","0.098","0.1097","","","","","","0.852","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239422","5.5391","0.0009","13.128","0.002","8.795","0.0015","90","","97.65","0.003","90","","633.86","0.18","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[5-(pyridin-2-yl-κN)tetrazolido-κN^1^]copper(II)","","- C12 H8 Cu N10 -","- C12 H8 Cu N10 -","- C24 H16 Cu2 N20 -","2","0.5","LH5686","Li, Jian-Quan; Mu, Dan; Fan, Meng-Bao","Bis[5-(pyridin-2-yl-κN)tetrazolido-κN^1^]copper(II)","Acta Crystallographica Section E","2014","70","3","m79","","10.1107/S1600536814002062","","","0.71073","MoKα","","0.0393","0.0341","","","0.0842","0.0872","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239423","17.6432","0.0009","8.9425","0.0005","12.4776","0.0007","90","","108.277","0.003","90","","1869.33","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O2 S -","- C21 H21 Br O2 S -","- C84 H84 Br4 O8 S4 -","4","1","GK2602","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o309","","10.1107/S160053681400316X","","","0.71073","MoKα","","0.0453","0.0311","","","0.0736","0.0805","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239424","10.1766","0.0019","13.159","0.002","9.2877","0.0017","90","","104.062","0.007","90","","1206.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Anilino-5,5-dimethylcyclohex-2-enone","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","BQ2392","Boulebd, Houssem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","3-Anilino-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2014","70","3","o233","o234","10.1107/S160053681400186X","","","0.71073","MoKα","","0.063","0.0466","","","0.1265","0.1384","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239425","14.5228","0.0005","12.4663","0.0004","15.2354","0.0005","90","","90","","90","","2758.3","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4,9-dimethyl-9H-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","SU2693","Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","Ethyl 4,9-dimethyl-9H-carbazole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o240","","10.1107/S1600536814002098","","","0.71073","MoKα","","0.0634","0.0493","","","0.1242","0.1332","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239426","18.4128","0.0004","21.2523","0.0004","10.208","0.0002","90","","99.834","0.001","90","","3935.84","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{(E)-[4-(Diphenylamino)phenyl]iminomethyl}phenol","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C200 H160 N16 O8 -","8","2","","Chen, Jiang; Jin, Zhe-Peng; Gao, Bing-Fei; Yu, Jian-Hua; Wu, Jie-Ying","2-{(E)-[4-(Diphenylamino)phenyl]iminomethyl}phenol","Acta Crystallographica Section E","2014","70","3","o314","","10.1107/S1600536814003195","","","0.71073","MoKα","","0.0755","0.0492","","","0.1518","0.1813","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239427","10.6234","0.0006","10.9425","0.0006","11.0576","0.0006","73.685","0.004","79.152","0.004","88.614","0.004","1211.04","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C48 H60 N12 S4 -","4","2","BT6960","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","3","o301","o302","10.1107/S1600536814003079","","","0.71073","MoKα","","0.0529","0.0408","","","0.1076","0.1139","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239428","20.1565","0.0007","6.1651","0.0002","20.325","0.0007","90","","97.781","0.002","90","","2502.47","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Amino-5,5-diphenylimidazolidine-2,4-dione","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C120 H104 N24 O16 -","8","2","SJ5389","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.","3-Amino-5,5-diphenylimidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","3","o262","o263","10.1107/S1600536814002487","","","1.54178","CuKα","","0.0877","0.0537","","","0.0977","0.1106","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239429","8.8056","0.0002","10.6638","0.0002","21.8315","0.0005","90","","90","","90","","2050","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1H-pyrrole-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","TK5295","Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1H-pyrrole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o338","o339","10.1107/S1600536814003316","","","1.5418","CuKα","","0.0512","0.0439","","","0.1141","0.1193","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239430","11.5335","0.0011","9.5024","0.0012","12.1318","0.0014","90","","91.66","0.011","90","","1329","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-[(2E,3E)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]","","- C32 H30 F2 N2 -","- C32 H30 F2 N2 -","- C64 H60 F4 N4 -","2","0.5","","Wei, Juanjuan; She, Houde; Shi, Lijun; Lei, Ziqiang","N,N'-[(2E,3E)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]","Acta Crystallographica Section E","2014","70","3","o275","","10.1107/S1600536814002657","","","1.54184","CuKα","","0.047","0.04","","","0.1113","0.1175","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239431","17.429","0.004","16.748","0.003","5.839","0.0012","90","","95.48","0.03","90","","1696.6","0.6","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide","","- C16 H20 N4 O S2 -","- C16 H20 N4 O S2 -","- C64 H80 N16 O4 S8 -","4","1","","Ismailova, D. S.; Okmanov, R. Ya.; Ziyaev, A. A.; Shakhidoyatov, Kh. M.; Tashkhodjaev, B.","N-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide","Acta Crystallographica Section E","2014","70","3","o241","","10.1107/S160053681400213X","","","1.54184","CuKα","","0.1415","0.0691","","","0.1636","0.2166","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239432","6.0745","0.0005","12.0617","0.0011","13.4817","0.001","92.561","0.007","98.753","0.007","93.326","0.007","973.2","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1-Piperonylpiperazinium 4-nitrobenzoate monohydrate","1-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-ium 4-nitrobenzoate monohydrate","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C38 H46 N6 O14 -","2","1","LD2118","Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.","1-Piperonylpiperazinium 4-nitrobenzoate monohydrate","Acta Crystallographica Section E","2014","70","3","o270","o271","10.1107/S160053681400261X","","","1.54184","CuKα","","0.0497","0.0427","","","0.1115","0.1199","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239433","8.8858","0.0012","10.054","0.0013","13.2256","0.0018","93.343","0.003","106.76","0.003","98.53","0.003","1112.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","N^1^,N^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C60 H48 N8 -","2","1","XU5766","Ohno, Keiji; Maruyama, Haruki; Fujihara, Takashi; Nagasawa, Akira","N^1^,N^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","3","o303","o304","10.1107/S1600536814002906","","","0.71073","MoKα","","0.1084","0.0641","","","0.1488","0.1717","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239434","14.0674","0.0007","7.8105","0.0004","19.768","0.0009","90","","110.456","0.003","90","","2035.01","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-phenyl-3-p-tolyl-1,9b-dihydro-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","SU2676","Raghuvarman, B.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","Methyl 1-phenyl-3-p-tolyl-1,9b-dihydro-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate","Acta Crystallographica Section E","2014","70","3","o281","o282","10.1107/S1600536814002438","","","0.71073","MoKα","","0.0801","0.0508","","","0.1302","0.1509","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239435","5.0784","0.0005","8.1255","0.0008","8.9003","0.0009","102.718","0.004","105.175","0.005","101.092","0.003","333.35","0.06","200","","200","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(ethanol-κO)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^O^1^,O^6^:O^3^,O^4^]","","- C10 H12 Cl2 Mn O6 -","- C10 H12 Cl2 Mn O6 -","- C10 H12 Cl2 Mn O6 -","1","0.5","","Tanaka, Seiya; Himegi, Akiko; Ohishi, Tomomi; Fuyuhiro, Akira; Kawata, Satoshi","catena-Poly[[bis(ethanol-κO)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^O^1^,O^6^:O^3^,O^4^]","Acta Crystallographica Section E","2014","70","3","m90","m91","10.1107/S1600536814002396","","","0.71075","MoKα","","","0.0323","","","","0.0953","","","","","","1.168","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239436","4.9803","0.0001","26.5291","0.0007","10.274","0.0003","90","","90.804","0.001","90","","1357.3","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C60 H48 N8 O16 S4 -","4","1","SU2697","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.","4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o291","o292","10.1107/S1600536814002803","","","1.54178","CuKα","","0.0475","0.0418","","","0.0945","0.0967","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239437","4.8009","0.0001","12.2309","0.0002","16.0247","0.0003","90","","90","","90","","940.96","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fluorenone oxime","Fluoren-9-one oxime","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","GK2601","Bugenhagen, Bernhard; Al Jasem, Yosef; Al-Azani, Mariam; Thiemann, Thies","Fluoren-9-one oxime","Acta Crystallographica Section E","2014","70","3","o265","","10.1107/S1600536814002669","","","1.5418","CuKα","","0.0309","0.0293","","","0.0732","0.0745","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239438","23.162","0.003","10.4755","0.0011","19.391","0.002","90","","118.896","0.008","90","","4119.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(2-methylbenzyl)bis(pyridin-2-ylmethyl-κN)amine-κN]manganese(II) bis(perchlorate)","","- C40 H42 Cl2 Mn N6 O8 -","- C40 H42 Cl2 Mn N6 O8 -","- C160 H168 Cl8 Mn4 N24 O32 -","4","0.5","MW2117","Butcher, Ray J.; Gultneh, Yilma; Yisgedu, T. B.","Bis[(2-methylbenzyl)bis(pyridin-2-ylmethyl-κN)amine-κN]manganese(II) bis(perchlorate)","Acta Crystallographica Section E","2014","70","3","m100","m101","10.1107/S1600536814003055","","","0.71073","MoKα","","0.1037","0.0647","","","0.1681","0.1934","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239439","20.3958","0.0017","8.3334","0.0006","18.9386","0.0014","90","","118.342","0.007","90","","2833.1","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-nitrobiphenyl-4,4'-dicarboxylate","","- C16 H13 N O6 -","- C16 H13 N O6 -","- C128 H104 N8 O48 -","8","1","","Vieira, Vanessa C. M.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Dimethyl 2-nitrobiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2014","70","3","o371","","10.1107/S1600536814004218","","","0.71073","MoKα","","0.0462","0.0343","","","0.0906","0.097","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239440","7.1967","0.0002","9.9909","0.0003","13.5534","0.0005","77.508","0.003","81.551","0.003","77.717","0.003","924.44","0.05","123","0.16","123","2","","","","","","","","4","P -1","-P 1","2","","3-(2,3-Dioxoindolin-1-yl)propanenitrile","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","2","TK5297","Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen","3-(2,3-Dioxoindolin-1-yl)propanenitrile","Acta Crystallographica Section E","2014","70","3","o361","o362","10.1107/S1600536814003985","","","1.54184","CuKα","","0.0353","0.0332","","","0.084","0.0856","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239441","7.3548","0.0001","20.4554","0.0004","12.6801","0.0002","90","","92.463","0.001","90","","1905.9","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","CV5444","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o324","","10.1107/S1600536814003547","","","0.71073","MoKα","","0.0405","0.0311","","","0.0787","0.0829","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239442","14.4728","0.0004","5.4554","0.0003","15.0906","0.0004","90","","95.453","0.004","90","","1186.08","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4,9-Dimethyl-9H-carbazol-3-yl)methanol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","SU2701","Öncüoğlu, Serkan; Dilek, Nefise; Ergün, Yavuz; Hökelek, Tuncer","(4,9-Dimethyl-9H-carbazol-3-yl)methanol","Acta Crystallographica Section E","2014","70","3","o346","o347","10.1107/S1600536814003845","","","0.71073","MoKα","","0.0873","0.079","","","0.2105","0.2139","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239443","9.1442","0.0003","9.4376","0.0004","14.0931","0.0006","108.262","0.002","96.017","0.002","103.313","0.002","1103.13","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 3-[7-(N-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2H-indazol-2-yl]propionate","","- C21 H22 Cl N3 O6 S -","- C21 H22 Cl N3 O6 S -","- C42 H44 Cl2 N6 O12 S2 -","2","1","TK5294","Kouakou, Assoman; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 3-[7-(N-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2H-indazol-2-yl]propionate","Acta Crystallographica Section E","2014","70","3","o307","o308","10.1107/S1600536814003183","","","0.71073","MoKα","","0.0685","0.0432","","","0.1089","0.1229","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239444","8.829","0.0015","10.745","0.003","13.275","0.003","106.98","0.02","93.131","0.017","90.646","0.017","1202.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Chloridobis(ethane-1,2-diamine-κ^2^N,N')(thiocyanato-κN)cobalt(III) diamminetetrakis(thiocyanato-κN)cromate(III)","","- C9 H22 Cl Co Cr N11 S5 -","- C9 H22 Cl Co Cr N11 S5 -","- C18 H44 Cl2 Co2 Cr2 N22 S10 -","2","1","BR2236","Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I.","trans-Chloridobis(ethane-1,2-diamine-κ^2^N,N')(thiocyanato-κN)cobalt(III) diamminetetrakis(thiocyanato-κN)cromate(III)","Acta Crystallographica Section E","2014","70","3","m110","m111","10.1107/S1600536814003869","","","0.7107","MoKα","","0.0754","0.0524","","","0.1325","0.1413","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239445","7.1617","0.0001","13.1615","0.0002","19.2306","0.0003","90","","90","","90","","1812.65","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-13-(2-Bromophenyl)micheliolide","(3E,3aS,6Z,9R,9aS,9bS)-3-(2-Bromobenzylidene)-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-b]furan-2(9bH)-one","","- C21 H23 Br O3 -","- C21 H23 Br O3 -","- C84 H92 Br4 O12 -","4","1","SJ5372","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","(E)-13-(2-Bromophenyl)micheliolide","Acta Crystallographica Section E","2014","70","3","o251","o252","10.1107/S1600536814002177","","","0.71073","MoKα","","0.0293","0.0254","","","0.0618","0.0636","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239446","8.903","0.003","21.732","0.006","12.335","0.004","90","","108.48","0.004","90","","2263.5","1.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[tetrakis(pyridin-2-yl)methane-κ^3^N,N',N'']cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate","","- C47 H32 Co2 N12 O S4 -","- C47 H32 Co2 N12 O S4 -","- C94 H64 Co4 N24 O2 S8 -","2","1","","Tsunezumi, Yuya; Matsumoto, Kouzou; Hayami, Shinya; Fuyuhiro, Akira; Kawata, Satoshi","Bis[tetrakis(pyridin-2-yl)methane-κ^3^N,N',N'']cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","3","m96","m97","10.1107/S160053681400289X","","","0.71075","MoKα","","","0.0335","","","","0.0706","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239447","10.8643","0.0009","10.6705","0.0009","15.8062","0.0013","90","","105.696","0.009","90","","1764","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide","","- C20 H17 F3 N2 O4 -","- C20 H17 F3 N2 O4 -","- C80 H68 F12 N8 O16 -","4","1","","Akinboye, Emmanuel S.; Butcher, Ray J.; Yildirim, Sema Ozturk; Isaacs, John T.","4-Hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section E","2014","70","3","o297","o298","10.1107/S1600536814003031","","","1.54184","CuKα","","0.0502","0.0436","","","0.125","0.1323","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239448","8.4137","0.0003","20.1179","0.0007","8.6346","0.0003","90","","108.532","0.0014","90","","1385.76","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Bromophenyl)-9H-carbazole","","- C18 H12 Br N -","- C18 H12 Br N -","- C72 H48 Br4 N4 -","4","1","KJ2237","Kautny, Paul; Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes","9-(4-Bromophenyl)-9H-carbazole","Acta Crystallographica Section E","2014","70","3","o330","o331","10.1107/S1600536814003705","","","0.71073","MoKα","","0.0395","0.0311","","","0.0454","0.0473","","","","","","1.69","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239449","8.124","0.005","14.191","0.005","18.607","0.005","90","","93.82","0.005","90","","2140.4","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","","- C25 H15 F N2 O6 S -","- C25 H15 F N2 O6 S -","- C100 H60 F4 N8 O24 S4 -","4","1","SU2695","Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","3","o273","o274","10.1107/S1600536814002633","","","0.71073","MoKα","","0.0818","0.0477","","","0.1227","0.1432","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239450","8.5937","0.0006","9.8302","0.0007","18.87","0.0014","77.81","0.002","83.622","0.002","68.025","0.002","1444.04","0.18","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate","","- C34 H20 N6 O12 -","- C34 H20 N6 O12 -","- C68 H40 N12 O24 -","2","1","SU2687","Zhong, Kai-Long; Ni, Chao","Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate","Acta Crystallographica Section E","2014","70","3","o256","o257","10.1107/S1600536814002414","","","0.71073","MoKα","","0.0935","0.0684","","","0.1783","0.191","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239451","13.1962","0.0003","10.0002","0.0002","13.56","0.0003","90","","100.469","0.003","90","","1759.65","0.07","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","KQ2011","Bulatov, Evgeny; Boyarskaya, Dina; Chulkova, Tatiana; Haukka, Matti","2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate","Acta Crystallographica Section E","2014","70","3","o260","","10.1107/S1600536814002372","","","0.71073","MoKα","","0.1009","0.064","","","0.1741","0.2037","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239452","7.0629","0.0004","12.5553","0.0009","13.3705","0.0011","68.321","0.007","83.678","0.006","78.567","0.006","1079.04","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-N-phenyl-1,3,4-oxadiazol-2-amine","","- C24 H22 N4 O3 -","- C24 H22 N4 O3 -","- C48 H44 N8 O6 -","2","1","","Sharma, Devinder K.; Shripanavar, Chetan S.; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni","5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-N-phenyl-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2014","70","3","o357","o358","10.1107/S1600536814003821","","","0.71073","MoKα","","0.0839","0.0465","","","0.1014","0.1208","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239453","6.9537","0.0012","8.441","0.0015","12.563","0.002","96.26","0.004","98.381","0.004","92.647","0.003","723.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Zhou, Mi; Shao, Ying; Xia, Yong-an; Liu, Xiao-Long; Sun, Xiao-Qiang","2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione","Acta Crystallographica Section E","2014","70","3","o287","","10.1107/S1600536814002232","","","0.71073","MoKα","","0.0555","0.0467","","","0.1453","0.1541","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239454","8.9322","0.0009","9.901","0.0009","10.3951","0.001","90","","103.866","0.002","90","","892.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexylammonium nitrate","","- C6 H14 N2 O3 -","- C6 H14 N2 O3 -","- C24 H56 N8 O12 -","4","1","SJ5386","Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Cyclohexylammonium nitrate","Acta Crystallographica Section E","2014","70","3","o253","o254","10.1107/S1600536814002244","","","0.71073","MoKα","","0.0492","0.0398","","","0.1134","0.1214","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239455","12.233","0.0005","13.4144","0.0006","16.332","0.0009","90","","90","","90","","2680.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzotriazolium 4-methylbenzenesulfonate","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C104 H104 N24 O24 S8 -","8","1","BT6963","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Benzotriazolium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","3","o350","","10.1107/S1600536814003857","","","0.71073","MoKα","","0.0678","0.04","","","0.0908","0.1082","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239456","9.5934","0.0003","11.1939","0.0004","10.3332","0.0003","90","","90","","90","","1109.66","0.06","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-[(E)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","N'-[(E)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2014","70","3","o242","","10.1107/S1600536814001822","","","0.71073","MoKα","","0.025","0.0242","","","0.0634","0.0641","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239457","16.7346","0.0007","5.5511","0.0003","20.4817","0.001","90","","121.325","0.003","90","","1625.31","0.15","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Benzyl-6-benzylsulfanyl-9H-purin-2-amine","","- C19 H17 N5 S -","- C19 H17 N5 S -","- C76 H68 N20 S4 -","4","1","HB7176","Hariono, Maywan; Wahab, Habibah A.; Tan, Mei Lan; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","9-Benzyl-6-benzylsulfanyl-9H-purin-2-amine","Acta Crystallographica Section E","2014","70","3","o288","","10.1107/S1600536814001986","","","0.71073","MoKα","","0.0802","0.0501","","","0.1163","0.1374","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239458","31.247","0.013","9.1889","0.001","9.3719","0.0012","90","","90","","90","","2690.9","1.2","293","2","293","2","101.325","","","","","","","5","P b c n","-P 2n 2ab","60","","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C128 H96 Cl8 N8 O8 -","8","1","","Ma, Ben; Zhou, Hongyan; Yang, Jingya","2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2014","70","3","o259","","10.1107/S1600536814002335","","","0.71073","MoKα","","0.0982","0.0559","","","0.1148","0.1447","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239459","12.0673","0.0004","9.4109","0.0003","22.5852","0.0007","90","","103.66","0.002","90","","2492.32","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C29 H29 Br N2 O3 -","- C29 H29 Br N2 O3 -","- C116 H116 Br4 N8 O12 -","4","1","SU2698","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o299","o300","10.1107/S1600536814002967","","","0.71073","MoKα","","0.0624","0.035","","","0.0852","0.0971","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239460","7.4065","0.0007","7.4065","0.0007","7.6235","0.0008","90","","90","","90","","418.2","0.07","173","2","173","2","","","","","","","","3","I -4 2 m","I -4 2","121","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane","","- C8 H16 N4 -","- C8 H16 N4 -","- C16 H32 N8 -","2","0.125","","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane","Acta Crystallographica Section E","2014","70","3","o266","","10.1107/S1600536814002608","","","0.71073","MoKα","","0.05","0.05","","","0.1411","0.1411","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239461","10.6715","0.0005","16.9824","0.0009","14.4061","0.0007","90","","103.515","0.003","90","","2538.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","","- C30 H33 B N2 O -","- C30 H33 B N2 O -","- C120 H132 B4 N8 O4 -","4","1","ZL2579","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","(Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","3","o333","","10.1107/S1600536814003481","","","0.71073","MoKα","","0.0756","0.0502","","","0.1208","0.1363","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239462","15.061","0.003","21.992","0.004","5.437","0.001","90","","90","","90","","1800.9","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N-[2-(9H-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","LH5693","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","N-[2-(9H-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline","Acta Crystallographica Section E","2014","70","3","o332","","10.1107/S1600536814003614","","","0.7749","synchrotron","","0.0521","0.0447","","","0.1126","0.1179","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239463","34.5438","0.0015","6.0102","0.0002","15.6138","0.0007","90","","90","","90","","3241.7","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one","","- C18 H16 N4 O S -","- C18 H16 N4 O S -","- C144 H128 N32 O8 S8 -","8","2","RZ5106","Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one","Acta Crystallographica Section E","2014","70","3","o363","o364","10.1107/S1600536814003900","","","0.71073","MoKα","","0.0952","0.0621","","","0.1455","0.1668","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239464","12.578","0.0011","12.578","0.0011","25.053","0.003","90","","90","","90","","3963.5","0.7","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane","","- C40 H76 Si -","- C40 H76 Si -","- C160 H304 Si4 -","4","0.25","ZS2287","Meyer-Wegner, Frank; Bolte, Michael; Lerner, Hans-Wolfram","Tetrakis(2,3,5,5-tetramethylhexen-2-yl)silane","Acta Crystallographica Section E","2014","70","3","o376","","10.1107/S1600536814004322","","","0.71073","MoKα","","0.0723","0.0511","","","0.1266","0.1359","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239465","6.1771","0.0005","8.9928","0.0007","20.3736","0.0016","90","","90.978","0.002","90","","1131.58","0.16","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","HB7195","Shahid, Hafiz Abdullah; Hussain, Ejaz; Jahangir, Sajid; Yousuf, Sammer","1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate","Acta Crystallographica Section E","2014","70","3","o294","","10.1107/S1600536814002505","","","0.71073","MoKα","","0.0572","0.0433","","","0.1088","0.1189","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239466","8.9362","0.0002","6.8766","0.0002","15.5039","0.0004","90","","91.54","0.001","90","","952.38","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-\ methylbenzenesulfonamide","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C46 H44 N4 O4 S2 -","2","1","TK5292","Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.","N-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","3","o248","o249","10.1107/S1600536814002189","","","1.54178","CuKα","","0.0322","0.0277","","","0.0628","0.0656","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239467","11.101","0.0005","8.7279","0.0004","15.7921","0.0007","90","","105.008","0.004","90","","1477.88","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazone","3-[(4-Hydroxy-3-methoxybenzylidene)amino]-1-phenylthiourea","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C60 H60 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","4-Hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazone","Acta Crystallographica Section E","2014","70","3","o278","","10.1107/S1600536814002773","","","0.71073","MoKα","","0.0437","0.0343","","","0.0789","0.0825","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239468","17.897","0.006","10.753","0.003","17.775","0.005","90","","98.541","0.018","90","","3382.8","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran","","- C22 H17 F O S -","- C22 H17 F O S -","- C176 H136 F8 O8 S8 -","8","2","BX2454","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-(4-Fluorophenyl)-2-(4-methylphenyl)-3-methylsulfanyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o258","","10.1107/S1600536814002402","","","0.71073","MoKα","","0.0558","0.041","","","0.1048","0.1141","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239469","9.367","0.004","9.367","0.004","49.137","0.014","90","","90","","90","","4311","3","293","2","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(3R,4S)-3-Methyl-4-phenyl-2-[(R)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","","- C24 H24 B F4 N -","- C24 H24 B F4 N -","- C192 H192 B8 F32 N8 -","8","1","LD2119","Ben Ali, Karim; Retailleau, Pascal","(3R,4S)-3-Methyl-4-phenyl-2-[(R)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium tetrafluoridoborate","Acta Crystallographica Section E","2014","70","3","o255","","10.1107/S160053681400230X","","","1.5418","CuKα","","0.1415","0.0647","","","0.169","0.2149","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239470","7.4665","0.0002","17.7858","0.0005","6.6821","0.0002","90","","90","","90","","887.37","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^O^1^:O^1'^:O^3^)(μ~2~-hydroxido-κ^2^O:O)copper(II)]","","- C7 H4 Cu N2 O7 -","- C7 H4 Cu N2 O7 -","- C28 H16 Cu4 N8 O28 -","4","1","","Sinha, B.; Dey, G. C.; Sarkar, B.; Roy, A.; Ng, Seik Weng; Tiekink, Edward R. T.","Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^O^1^:O^1'^:O^3^)(μ~2~-hydroxido-κ^2^O:O)copper(II)]","Acta Crystallographica Section E","2014","70","3","m112","m113","10.1107/S1600536814004280","","","1.54184","CuKα","","0.0271","0.027","","","0.0765","0.0765","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239471","5.6462","0.0002","15.8373","0.0005","8.4442","0.0003","90","","106.779","0.001","90","","722.94","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propane-1,2-diammonium chromate(VI)","","- C3 H12 Cr N2 O4 -","- C3 H12 Cr N2 O4 -","- C12 H48 Cr4 N8 O16 -","4","1","HB7193","Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda","Propane-1,2-diammonium chromate(VI)","Acta Crystallographica Section E","2014","70","3","m84","m85","10.1107/S1600536814002463","","","0.71073","MoKα","","0.0277","0.0256","","","0.0701","0.0711","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239472","11.2102","0.0003","11.5909","0.0003","12.3569","0.0004","99.0734","0.0008","90.1887","0.0009","116.404","0.001","1415.22","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","","- C30 H26 Cl3 N3 O2 -","- C30 H26 Cl3 N3 O2 -","- C60 H52 Cl6 N6 O4 -","2","1","","Farag, I. S. Ahmed; Girgis, Adel S.; Ramadan, A. A.; Moustafa, A. M.; Mabied, Ahmed F.","5-Chloro-5''-(4-chlorobenzylidene)-4'-(4-chlorophenyl)-1',1''-dimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-piperidine]-2,4''-dione","Acta Crystallographica Section E","2014","70","3","o379","o380","10.1107/S1600536814004309","","","0.71073","MoKα","","0.1157","0.0565","","0.1346","0.1108","0.1108","","","","","","1.0046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239473","7.5563","0.0004","28.8497","0.0016","12.4274","0.0008","90","","90.433","0.003","90","","2709.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","SU2694","Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxo-1-propylspiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","3","o272","","10.1107/S1600536814002621","","","0.71073","MoKα","","0.0881","0.0505","","","0.141","0.1668","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239474","11.6695","0.0003","8.52379","0.00018","11.8165","0.0003","90","","111.753","0.003","90","","1091.67","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dirubidium lutetium tetrasilicate fluoride","","- F Lu O10 Rb2 Si4 -","- F Lu O10 Rb2 Si4 -","- F4 Lu4 O40 Rb8 Si16 -","4","1","WM5002","Kahlenberg, Volker; Manninger, Tanja","Rb~2~Lu[Si~4~O~10~]F, a tubular chain silicate","Acta Crystallographica Section E","2014","70","3","i14","","10.1107/S1600536814003043","","","0.71073","MoKα","","0.018","0.0165","","","0.0362","0.0366","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239475","7.7425","0.0002","9.6634","0.0002","12.1276","0.0003","90","","106.008","0.003","90","","872.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Nitrophthalamide","4-Nitrobenzene-1,2-dicarboxamide","","- C8 H7 N3 O4 -","- C8 H7 N3 O4 -","- C32 H28 N12 O16 -","4","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalamide","Acta Crystallographica Section E","2014","70","3","o293","","10.1107/S1600536814002955","","","1.54184","CuKα","","0.0332","0.032","","","0.0886","0.0901","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239476","6.9964","0.0015","55.786","0.012","6.1443","0.0014","90","","90","","90","","2398.1","0.9","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","2-[(E)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","FJ2653","Gao, Xiao-Li; Feng, Si-Si; Yuan, Cai-Xia; Zhu, Miao-Li","2-[(E)-(4-Bromophenyl)iminomethyl]-4-chlorophenol","Acta Crystallographica Section E","2014","70","3","o235","o236","10.1107/S1600536814000981","","","0.71073","MoKα","","0.0852","0.0543","","","0.1179","0.1278","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239477","14.113","0.011","11.161","0.008","16.708","0.012","90","","112.837","0.014","90","","2425","3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","2,9-Bis(4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","","- C20 H20 N6 O4 S4 -","- C20 H20 N6 O4 S4 -","- C80 H80 N24 O16 S16 -","4","0.5","FJ2661","Rahman, Md. A; Karim, Mohammad; Arifuzzaman, Md.; Siddiquee, Tasneem; Daniels, Lee M.","2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1,10-phenanthroline dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2014","70","3","o321","o322","10.1107/S1600536814003304","","","0.71075","MoKα","","0.1142","0.0667","","","0.144","0.1713","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239478","9.576","0.0002","12.231","0.0003","9.9811","0.0002","90","","120.392","0.002","90","","1008.38","0.04","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-1,2,5-dithiazepane","","- C10 H13 N S2 -","- C10 H13 N S2 -","- C40 H52 N4 S8 -","4","1","","Mitchell, Lauren A.; Mejía, Michelle L.; Keskin, Seyma Gören; Holliday, Bradley J.","5-Phenyl-1,2,5-dithiazepane","Acta Crystallographica Section E","2014","70","3","o285","","10.1107/S1600536814002207","","","0.7107","MoKα","","0.0253","0.0239","","","0.0625","0.064","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239479","7.32","0.003","7.584","0.004","13.413","0.002","85.35","0.03","75.56","0.02","74.42","0.05","694.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^O,O')cobaltate(II)","","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","- C16 H32 Co N2 O16 P4 -","1","0.5","HB7194","Saad, Ahlem Ben; Selmi, Ahmed; Rzaigui, Mohamed; Akriche, Samah Toumi","Bis(2,6-dimethylanilinium) diaquabis(dihydrogen diphosphato-κ^2^O,O')cobaltate(II)","Acta Crystallographica Section E","2014","70","3","m86","m87","10.1107/S1600536814002530","","","0.56087","AgKα","","0.0761","0.0606","","","0.1579","0.1682","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239480","8.4209","0.0001","8.9042","0.0001","10.8628","0.0001","106.956","0.001","90.441","0.001","108.9","0.001","732.383","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C32 H26 Br2 O4 S2 -","2","1","SU2700","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o320","","10.1107/S1600536814003365","","","0.71073","MoKα","","0.0269","0.0245","","","0.0644","0.0656","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239481","12.8642","0.0003","9.2013","0.0002","13.2578","0.0003","90","","90","","90","","1569.29","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitrophthalonitrile","4-Nitrobenzene-1,2-dicarbonitrile","","- C8 H3 N3 O2 -","- C8 H3 N3 O2 -","- C64 H24 N24 O16 -","8","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalonitrile","Acta Crystallographica Section E","2014","70","3","o323","","10.1107/S1600536814003468","","","1.54184","CuKα","","0.0313","0.0298","","","0.0864","0.0878","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239482","11.1482","0.0006","13.0903","0.0007","7.0432","0.0004","90","","90","","90","","1027.84","0.1","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Dimethylphosphoryl)methanaminium hydrogen oxalate; oxalic acid","","- C6 H13 N O7 P -","- C6 H13 N O7 P -","- C24 H52 N4 O28 P4 -","4","1","","Bialek, Sebastian; Clemens, Rebecca; Reiss, Guido J.","(Dimethylphosphoryl)methanaminium hydrogen oxalate‒oxalic acid (2/1)","Acta Crystallographica Section E","2014","70","3","o312","","10.1107/S1600536814002931","","","0.71073","MoKα","","0.0195","0.0194","","","0.052","0.0521","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239483","5.9051","0.0004","11.706","0.0009","12.7906","0.001","65.839","0.004","85.795","0.004","83.394","0.004","801.01","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","","- C17 H21 Br O2 S -","- C17 H21 Br O2 S -","- C34 H42 Br2 O4 S2 -","2","1","GG2135","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","3","o310","","10.1107/S1600536814003171","","","0.71073","MoKα","","0.0456","0.0378","","","0.0877","0.0908","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239484","10.0121","0.0003","12.6146","0.0004","14.9503","0.0004","77.9547","0.0014","73.4361","0.0013","89.1187","0.0013","1768.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-(9-chloro-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-\ carboxylate","","- C21 H16 Cl N O4 -","- C21 H16 Cl N O4 -","- C84 H64 Cl4 N4 O16 -","4","2","FF2125","Duncan, Nathan S.; Beall, Howard D.; Kearns, Alison K.; Li, Chun; Natale, Nicholas R.","Ethyl 3-(9-chloro-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-carboxylate","Acta Crystallographica Section E","2014","70","3","o315","o316","10.1107/S1600536814003080","","","0.71073","MoKα","","0.0362","0.033","","","0.0858","0.0886","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239485","8.8352","0.0001","11.4047","0.0001","16.1327","0.0002","90","","90","","90","","1625.58","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","","- C20 H18 Fe O2 -","- C20 H18 Fe O2 -","- C80 H72 Fe4 O8 -","4","1","","Otaño Vega, Myrna R.; Rivero, Kennett I.; Montes González, Ingrid","(E)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","3","m108","m109","10.1107/S1600536814003912","","","0.71073","MoKα","","0.0321","0.026","","","0.0619","0.0647","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239486","7.8152","0.0004","9.2949","0.0004","17.542","0.0008","85.394","0.004","85.107","0.004","82.659","0.004","1256.12","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Bis(η^5^-pentamethylcyclopentadienyl)aluminium tetrabromidoaluminate","","- C20 H30 Al2 Br4 -","- C20 H30 Al2 Br4 -","- C40 H60 Al4 Br8 -","2","1","BH2490","Purdy, Andrew P.; Dugger, Cherrelle; Butcher, Ray J.","Bis(η^5^-pentamethylcyclopentadienyl)aluminium tetrabromidoaluminate","Acta Crystallographica Section E","2014","70","3","m88","m89","10.1107/S1600536814002554","","","0.71073","MoKα","","0.0859","0.0428","","","0.0584","0.0721","","","","","","0.912","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239487","6.1435","0.0003","14.3844","0.0008","15.8516","0.0009","108.038","0.005","91.258","0.004","96.033","0.004","1322.39","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-{[4-(Dimethylamino)benzylidene]amino}-5-nitrophenol","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","SU2709","Hijji, Yousef; Butcher, Ray J.; Jasinski, Jerry P.","(E)-2-{[4-(Dimethylamino)benzylidene]amino}-5-nitrophenol","Acta Crystallographica Section E","2014","70","5","o598","o599","10.1107/S160053681400871X","","","1.54184","CuKα","","0.0471","0.0413","","","0.1155","0.119","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239488","20.853","0.007","14.099","0.005","14.364","0.005","90","","90","","90","","4223","3","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Poly[(μ~3~-3,5-diisopropyl-4H-1,2,4-triazolato-κ^3^N:N':N'')silver(I)]","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C128 H224 Ag16 N48 -","16","1","XU5742","Cui, Guo-Gen; Yang, Xiao-Xi; Yang, Jian-Ping; Jiang, Xiang","Poly[(μ~3~-3,5-diisopropyl-4H-1,2,4-triazolato-κ^3^N:N':N'')silver(I)]","Acta Crystallographica Section E","2014","70","5","m189","","10.1107/S1600536814008083","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0448","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239489","9.0254","0.0013","7.7388","0.0012","42.488","0.007","90","","90","","90","","2967.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2Z)-2-Benzylidene-4-(prop-2-yn-1-yl)-2H-1,4-benzothiazin-3(4H)-one","","- C18 H13 N O S -","- C18 H13 N O S -","- C144 H104 N8 O8 S8 -","8","1","TK5310","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2Z)-2-Benzylidene-4-(prop-2-yn-1-yl)-2H-1,4-benzothiazin-3(4H)-one","Acta Crystallographica Section E","2014","70","5","o614","","10.1107/S1600536814009179","","","0.71073","MoKα","","0.074","0.0457","","","0.109","0.1241","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239490","7.3132","0.0003","7.5663","0.0003","14.4543","0.0007","95.033","0.001","97.188","0.001","101.938","0.001","771.03","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole","","- C16 H15 Br N2 S2 -","- C16 H15 Br N2 S2 -","- C32 H30 Br2 N4 S4 -","2","1","RK2426","Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","3-Bromo-2-[4-(methylsulfanyl)phenyl]-5,6,7,8-tetrahydro-1,3-benzothiazolo[3,2-a]imidazole","Acta Crystallographica Section E","2014","70","5","o596","o597","10.1107/S1600536814008976","","","0.71073","MoKα","","0.037","0.0301","","","0.0706","0.0725","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239491","5.9617","0.001","12.068","0.002","9.5909","0.0015","90","","95.789","0.008","90","","686.51","0.19","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","BT6976","Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1S,2R,3S,6S,7R)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol","Acta Crystallographica Section E","2014","70","5","o595","","10.1107/S1600536814008642","","","0.71073","MoKα","","0.0524","0.0454","","","0.1252","0.1312","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239492","13.6308","0.0014","5.4023","0.0005","17.5751","0.0019","90","","93.065","0.004","90","","1292.3","0.2","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(2E)-2-Benzylidene-N-phenylhydrazinecarboxamide","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","YK2104","Layana, S. R.; Sithambaresan, M.; Siji, V. L.; Sudarsanakumar, M. R.; Suma, S.","(2E)-2-Benzylidene-N-phenylhydrazinecarboxamide","Acta Crystallographica Section E","2014","70","5","o591","","10.1107/S1600536814008344","","","0.71073","MoKα","","0.0659","0.0443","","","0.1201","0.1457","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239493","5.837","0.003","21.021","0.01","7.884","0.004","90","","100.256","0.007","90","","951.9","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C40 H42 N2 O12 S2 -","2","1","HG5390","Li, Feng; Zhao, Ming-Zhong; Jin, Chun-Hua; Zou, Jian-Wei","(R)-[(R)-3-Benzyl-2-oxooxazolidin-4-yl][4-(methylsulfonyl)phenyl]methyl acetate","Acta Crystallographica Section E","2014","70","5","o606","","10.1107/S1600536814009106","","","0.71073","MoKα","","0.041","0.0354","","","0.0872","0.0914","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239494","7.411","0.005","12.314","0.005","29.684","0.005","90","","90","","90","","2709","2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","XU5785","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","(E)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","Acta Crystallographica Section E","2014","70","5","o603","","10.1107/S1600536814008873","","","0.71073","MoKα","","0.0565","0.0425","","","0.096","0.1024","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239495","7.5343","0.0002","13.6212","0.0005","13.9887","0.0005","106.307","0.002","97.946","0.001","92.103","0.002","1360.31","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-6-methylpyridinium 4-methylbenzenesulfonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","2","SU2726","Babu, K. Syed Suresh; Dhavamurthy, M.; NizamMohideen, M.; Peramaiyan, G.; Mohan, R.","2-Amino-6-methylpyridinium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","5","o600","o601","10.1107/S1600536814008587","","","0.71073","MoKα","","0.0594","0.0402","","","0.1034","0.1186","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239496","16.2808","0.0008","10.4348","0.0005","16.2905","0.0007","90","","90","","90","","2767.5","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Usha, G.; Jovita, J.","(E)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o593","o594","10.1107/S1600536814008757","","","0.71073","MoKα","","0.089","0.0394","","","0.0952","0.1282","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239497","9.192","0.0009","13.8931","0.0013","10.9299","0.001","90","","106.619","0.002","90","","1337.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2E)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Ezhilarasi, K. S.; Reuben Jonathan, D.; Sathya, Shanmugam; Prathebha, K.; Usha, G.","(2E)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o608","o609","10.1107/S1600536814009155","","","0.71073","MoKα","","0.0561","0.0419","","","0.1201","0.1373","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239498","8.2341","0.0002","21.192","0.0005","13.1284","0.0004","90","","99.722","0.001","90","","2257.97","0.1","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridyl-κ^2^N,N')chloridonickel(II) nitrate trihydrate","","- C20 H22 Cl N5 Ni O6 -","- C20 H22 Cl N5 Ni O6 -","- C80 H88 Cl4 N20 Ni4 O24 -","4","1","HB7220","Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Setifi, Zouaoui; Merazig, Hocine","Bis(2,2'-bipyridyl-κ^2^N,N')chloridonickel(II) nitrate trihydrate","Acta Crystallographica Section E","2014","70","5","m190","m191","10.1107/S1600536814009064","","","0.71073","MoKα","","0.0662","0.0438","","","0.1144","0.1269","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239499","10.429","0.0004","40.4773","0.0016","10.8087","0.0005","90","","100.262","0.0013","90","","4489.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E,4E)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one","","- C25 H32 N2 O -","- C25 H32 N2 O -","- C200 H256 N16 O8 -","8","2","SJ5396","Ruanwas, Pumsak; Chantrapromma, Suchada; Ghabbour, Hazem A.; Fun, Hoong-Kun","(1E,4E)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one","Acta Crystallographica Section E","2014","70","5","o589","o590","10.1107/S1600536814008356","","","0.71073","MoKα","","0.1439","0.0833","","","0.2237","0.2695","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239500","11.393","0.004","8.989","0.003","14.467","0.005","90","","109.94","0.009","90","","1392.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[Ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","LR2125","Yamin, Bohari M.; Hizam, Sara Maira M.; Yusoff, Siti Fairus M.; Hasbullah, Siti Aishah","N-[Ethyl(2-hydroxyethyl)carbamothioyl]-2-methylbenzamide","Acta Crystallographica Section E","2014","70","5","o602","","10.1107/S1600536814008952","","","0.71073","MoKα","","0.0534","0.036","","","0.077","0.0876","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239501","9.7537","0.0009","10.5758","0.001","17.8255","0.0017","83.435","0.002","81.702","0.002","75.621","0.002","1756.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-(4-bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole","1-(4-Bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole","","- C20 H14 Br2 N2 -","- C20 H14 Br2 N2 -","- C80 H56 Br8 N8 -","4","2","","Ma, Hua-Jun; Qu, Zhi-Rong","1-(4-Bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole","Acta Crystallographica Section E","2014","70","5","o610","o611","10.1107/S1600536814009076","","","0.71073","MoKα","","0.0782","0.0413","","","0.1117","0.1284","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239502","8.776","0.0005","6.8989","0.0004","14.3518","0.0008","90","","90","","90","","868.93","0.09","90","0.2","90","0.2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,4-Dichloro-1-iodo-6-nitrobenzene","","- C6 H2 Cl2 I N O2 -","- C6 H2 Cl2 I N O2 -","- C24 H8 Cl8 I4 N4 O8 -","4","0.5","LH5698","Li, Xueshu; Parkin, Sean; Lehmler, Hans-Joachim","2,4-Dichloro-1-iodo-6-nitrobenzene","Acta Crystallographica Section E","2014","70","5","o607","","10.1107/S1600536814008733","","","1.54178","CuKα","","0.0376","0.0368","","","0.0962","0.0983","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239503","10.5452","0.0007","6.3093","0.0004","13.7813","0.0009","90","","91.626","0.004","90","","916.54","0.1","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C42 H44 O6 S2 -","2","1","BT6977","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclopentyl-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","5","o592","","10.1107/S160053681400868X","","","0.71073","MoKα","","0.0601","0.043","","","0.0979","0.1057","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239504","16.476","0.003","13.527","0.002","10.0727","0.0018","90","","99.868","0.005","90","","2211.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N5 O5 S -","- C23 H23 N5 O5 S -","- C92 H92 N20 O20 S4 -","4","1","BH2496","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","5","o604","o605","10.1107/S1600536814008800","","","0.71073","MoKα","","0.0912","0.0558","","","0.1366","0.1602","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239505","11.6359","0.0003","13.2501","0.0003","17.7412","0.0004","90","","129.898","0.001","90","","2098.47","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-nitrophenyl)thiophene-2-carboxamide","N-(2-Nitrophenyl)thiophene-2-carboxamide","","- C11 H8 N2 O3 S -","- C11 H8 N2 O3 S -","- C88 H64 N16 O24 S8 -","8","2","TK5309","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","N-(2-Nitrophenyl)thiophene-2-carboxamide","Acta Crystallographica Section E","2014","70","5","o613","","10.1107/S160053681400912X","","","0.71073","MoKα","","0.0641","0.0465","","","0.1065","0.1163","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239506","13.138","0.002","15.615","0.003","6.7726","0.0011","90","","90","","90","","1389.4","0.4","296","2","296","2","","","","","","","","3","I b a m","-I 2 2c","72","","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","0.25","","Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer","4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid","Acta Crystallographica Section E","2014","70","5","o615","","10.1107/S1600536814008599","","","0.71073","MoKα","","0.0509","0.0462","","","0.1308","0.1355","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239507","15.3833","0.0008","15.3833","0.0008","6.7051","0.0003","90","","90","","120","","1374.15","0.12","115","","115","","","","","","","","","4","R 3","R 3","146","Tribenzylammonium chloride","Tribenzylazanium chloride","","- C21 H22 Cl N -","- C21 H22 Cl N -","- C63 H66 Cl3 N3 -","3","","WM5019","Diallo, Waly; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Tribenzylammonium chloride","Acta Crystallographica Section E","2014","70","5","o618","o619","10.1107/S1600536814009246","","","0.71073","MoKα","","0.0209","0.0208","","","0.0514","0.0515","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239508","15.2938","0.0009","6.8601","0.0003","17.8075","0.001","90","","99.996","0.005","90","","1839.95","0.17","200","1","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rubidium 4-nitroanthranilate monohydrate","Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]","","- C7 H7 N2 O5 Rb -","- C7 H7 N2 O5 Rb -","- C56 H56 N16 O40 Rb8 -","8","2","WM5020","Smith, Graham","Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]","Acta Crystallographica Section E","2014","70","5","m192","m193","10.1107/S1600536814008861","","","0.71073","MoKα","","0.0724","0.0455","","","0.0668","0.0749","","","","","","1.026","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2239509","14.4712","0.0002","9.5592","0.0002","29.5386","0.0005","90","","98.898","0.001","90","","4036.99","0.12","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Cyanonaphthalen-2-yl 4-hexylbenzoate","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","LH5699","Rahman, Md. Lutfor; Srinivasa, H. T.; Mashitah, Mohd. Yusoff; Kwong, Huey Chong; Quah, Ching Kheng","6-Cyanonaphthalen-2-yl 4-hexylbenzoate","Acta Crystallographica Section E","2014","70","5","o620","","10.1107/S160053681400909X","","","1.54178","CuKα","","0.0943","0.0689","","","0.2349","0.2675","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239510","13.9016","0.0002","13.9016","0.0002","38.834","0.0009","90","","90","","90","","7504.8","0.2","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","","- C28 H56 Cl4 Cu4 N4 O4 -","- C28 H56 Cl4 Cu4 N4 O4 -","- C224 H448 Cl32 Cu32 N32 O32 -","8","1","XU5784","Luo, Mei; Huang, Yong-Hua; Zhang, Jing-Cheng","Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)]","Acta Crystallographica Section E","2014","70","5","m194","","10.1107/S1600536814009052","","","1.54178","CuKα","","0.0728","0.0683","","","0.1786","0.1819","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239511","9.563","0.003","10.101","0.004","11.679","0.004","96.365","0.014","99.134","0.013","107.683","0.013","1045.9","0.6","123","","123","","","","","","","","","3","P -1","-P 1","2","","Heptacyclo[21.13.1.1^5,19^.1^6,18^.1^10,14^.1^24,36^.1^28,32^]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene‒ethenetetracarbonitrile (1/2)","","- C54 H48 N8 -","- C54 H48 N8 -","- C54 H48 N8 -","1","0.5","","Shibahara, Masahiko; Watanabe, Motonori; Goto, Kenta; Shinmyozu, Teruo","Four-layered [3.3]metacyclophane with ethenetetracarbonitrile","Acta Crystallographica Section E","2014","70","5","o625","o626","10.1107/S1600536814009362","","","0.71075","MoKα","","","0.0596","","","","0.1782","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239512","18.932","0.012","7.327","0.004","6.352","0.004","90","","91","0.013","90","","881","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,6-bis(p-tolyloxy)hexane","1,6-Bis(p-tolyloxy)hexane","","- C20 H26 O2 -","- C20 H26 O2 -","- C40 H52 O4 -","2","0.5","","Zhang, XiuQin; Xiao, Jian; Xue, Wei-Wei; Chen, Qiang; Wang, Kai","1,6-Bis(p-tolyloxy)hexane","Acta Crystallographica Section E","2014","70","5","o617","","10.1107/S1600536814009222","","","0.71073","MoKα","","0.1207","0.0771","","","0.2388","0.3164","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239513","10.54812","0.00016","12.77836","0.00019","18.48","0.0003","90","","90","","90","","2490.88","0.07","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]-3-phenylpropan-1-ol","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C120 H100 N12 O12 -","4","1","RZ5116","Li, Yizhen; Mao, Pu; Xiao, Yongmei; Yang, Liangru; Qu, Lingbo","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2014","70","5","o621","","10.1107/S1600536814008770","","","1.5418","CuKα","","0.0397","0.038","","","0.1086","0.1112","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239514","6.808","0.0004","7.5569","0.0004","14.3902","0.0008","98.514","0.004","92.062","0.005","102.698","0.005","712.47","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-N^1^,S)nickel(II)","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-N^1^,S)nickel(II)","","- C30 H28 N6 Ni O4 S2 -","- C30 H28 N6 Ni O4 S2 -","- C30 H28 N6 Ni O4 S2 -","1","0.5","LR2126","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-N^1^,S)nickel(II)","Acta Crystallographica Section E","2014","70","5","m195","","10.1107/S1600536814009027","","","0.71073","MoKα","","0.0402","0.0302","","","0.0772","0.0796","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239515","26.0808","0.0005","7.9335","0.0002","21.1573","0.0004","90","","122.839","0.001","90","","3678.13","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-Allyl-4-ethoxy-2H-indazol-5-yl)-4-methylbenzenesulfonamide","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C152 H168 N24 O24 S8 -","8","1","RZ5122","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Viale, Maurizio; Saadi, Mohamed; El Ammari, Lahcen","N-(2-Allyl-4-ethoxy-2H-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","5","o624","","10.1107/S1600536814009283","","","0.71073","MoKα","","0.064","0.0458","","","0.1236","0.1338","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239516","16.6112","0.0012","5.8445","0.0005","17.5415","0.001","90","","93.131","0.005","90","","1700.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(4-Phenoxyphenyl)sulfanyl]-5-phenyl-1H-1,2,4-triazole","","- C20 H15 N3 O S -","- C20 H15 N3 O0.997 S -","- C80 H60 N12 O3.988 S4 -","4","1","SU2718","Ben Othman, Raja; Marchivie, Mathieu; Suzenet, Franck; Routier, Sylvain","3-[(4-Phenoxyphenyl)sulfanyl]-5-phenyl-1H-1,2,4-triazole","Acta Crystallographica Section E","2014","70","5","o622","o623","10.1107/S1600536814008204","","","0.71073","MoKα","","0.0725","0.052","","","0.1353","0.1521","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239517","5.7727","0.0008","10.3421","0.0015","13.1675","0.0019","87.175","0.002","78.856","0.002","81.474","0.002","762.6","0.19","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ^2^N:N']{μ-2,2'-[(1,4-phenylene)bis(oxy)]diacetato-κ^2^O:O'}cobalt(II)] pentahydrate]","","- C26 H42 Co N4 O13 -","- C26 H32 Co N4 O8 -","- C26 H32 Co N4 O8 -","1","0.5","","Sample, Alexander D.; LaDuca, Robert L.","Poly[[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine-κ^2^N:N']{μ-2,2'-[(1,4-phenylene)bis(oxy)]diacetato-κ^2^O:O'}cobalt(II)] pentahydrate]","Acta Crystallographica Section E","2014","70","6","m198","m199","10.1107/S1600536814008745","","","0.71073","MoKα","","0.1397","0.0925","","","0.2018","0.228","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239518","15.7822","0.0005","5.8465","0.0002","17.4107","0.0005","90","","105.885","0.001","90","","1545.15","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","oxopropylidene pyrrolidin","(E)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one","","- C14 H12 Cl3 N O2 -","- C14 H12 Cl3 N O2 -","- C56 H48 Cl12 N4 O8 -","4","1","","Fabiani Claro Flores, Alex; Correia Flores, Darlene; Rosa de Menezes Vicenti, Juliano; Pizzuti, Lucas; Teixeira Campos, Patrick","(5E)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","6","o629","o630","10.1107/S160053681400751X","","","0.71073","MoKα","","0.1175","0.0538","","","0.1686","0.217","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239519","8.0097","0.0002","12.1155","0.0004","11.3627","0.0003","90","","95.077","0.003","90","","1098.33","0.05","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","deacetylcinobufalactam monohydrate","Deacetylcinobufalactam monohydrate","","- C24 H35 N O5 -","- C24 H35 N O5 -","- C48 H70 N2 O10 -","2","1","ZS2298","Tang, Hong-Jin; Yuan, Xiao-Feng; Tian, Hai-Yan; Ruan, Li-Juan; Jiang, Ren-Wang","Deacetylcinobufalactam monohydrate","Acta Crystallographica Section E","2014","70","6","o651","o652","10.1107/S1600536814010046","","","1.54184","CuKα","","0.0336","0.0312","","","0.0784","0.0806","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239520","4.6557","0.0004","7.5432","0.0006","8.1787","0.0007","85.235","0.002","78.091","0.002","77.544","0.002","274.21","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Hydroxyethylammonium iodide","","- C2 H8 I N O -","- C2 H8 I N O -","- C4 H16 I2 N2 O2 -","2","1","","Kohrt, Christina; Spannenberg, Anke; Werner, Thomas","2-Hydroxyethylammonium iodide","Acta Crystallographica Section E","2014","70","6","o628","","10.1107/S1600536814009581","","","0.71073","MoKα","","0.0152","0.0138","","","0.031","0.0323","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239521","26.331","0.0005","7.9632","0.0002","12.7085","0.0003","90","","100.006","0.001","90","","2624.17","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tricaesium scandium(III) hexachloride","","- Cl6 Cs3 Sc -","- Cl6 Cs3 Sc -","- Cl48 Cs24 Sc8 -","8","1","","Ward, Matthew D.; Ibers, James A.","Cs~3~ScCl~6~","Acta Crystallographica Section E","2014","70","6","i25","","10.1107/S1600536814009799","","","0.71073","MoKα","","0.0285","0.0228","","","0.0491","0.0503","","","","","","1.332","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239522","9.2137","0.0006","23.522","0.0016","10.4842","0.0007","90","","110.284","0.001","90","","2131.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(quinolin-2-ylcarbonyl)amido-κ^3^N,N',N'']bromido(N,N-dimethylformamide-κO)copper(II)","","- C23 H19 Br Cu N4 O3 -","- C23 H19 Br Cu N4 O3 -","- C92 H76 Br4 Cu4 N16 O12 -","4","1","ZS2296","Faizi, Md. Serajul Haque; Sen, Pratik","[Bis(quinolin-2-ylcarbonyl)amido-κ^3^N,N',N'']bromido(N,N-dimethylformamide-κO)copper(II)","Acta Crystallographica Section E","2014","70","6","m206","m207","10.1107/S1600536814010058","","","0.71073","MoKα","","0.0435","0.0337","","","0.0779","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239523","12.285","0.003","4.8482","0.001","15.271","0.003","90","","98","0.03","90","","900.7","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^N:N']","","- C20 H12 Cl2 Hg N2 -","- C20 H12 Cl2 Hg N2 -","- C40 H24 Cl4 Hg2 N4 -","2","0.5","","Wang, Bin; Li, Ming; Xie, Ya-bo","catena-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^N:N']","Acta Crystallographica Section E","2014","70","6","m208","","10.1107/S1600536814010228","","","0.71073","MoKα","","0.0291","0.028","","","0.0688","0.0699","","","","","","0.915","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239524","9.8154","0.0006","10.4283","0.0009","13.4508","0.0009","90","","108.796","0.005","90","","1303.37","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Buprenorphine","(2S)-2-[(5R,6R,7R,14S)-9α-Cyclopropylmethyl-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethanomorphinan-7-yl]-3,3-dimethylbutan-2-ol","","- C29 H41 N O4 -","- C29 H41 N O4 -","- C58 H82 N2 O8 -","2","1","","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Anna; Cox, Phillip D.; Minardi, Mathew D.","Buprenorphine","Acta Crystallographica Section E","2014","70","6","o635","","10.1107/S1600536814009672","","","0.71073","MoKα","","0.0602","0.0521","","","0.137","0.1455","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239525","10.1988","0.0004","10.1988","0.0004","4.84153","0.00019","90","","90","","90","","503.59","0.03","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","lanthanum silicon nitride","Trilanthanum hexasilicon undecanitrogen","","- La3 N11 Si6 -","- La3 N11 Si6 -","- La6 N22 Si12 -","2","0.25","RU2057","Yamane, Hisanori; Nagura, Toshiki; Miyazaki, Tomohiro","La~3~Si~6~N~11~","Acta Crystallographica Section E","2014","70","6","i23","i24","10.1107/S1600536814009234","","","0.71075","MoKα","","0.0193","0.0173","","","0.0294","0.0303","","","","","","1.201","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239526","7.3473","0.0007","9.1917","0.0008","9.7504","0.0009","64.545","0.005","70.71","0.007","69.638","0.006","544.55","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Ammonium iron(III) bis(hydrogen arsenate(V)","Poly[ammonium bis(μ-hydrogen arsenato)ferrate(III)]","","- As2 Fe H6 N O8 -","- As2 Fe H6 N O8 -","- As6 Fe3 H18 N3 O24 -","3","1.5","BR2238","Ouerfelli, Najoua; Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","α-NH~4~Fe(HAsO~4~)~2~","Acta Crystallographica Section E","2014","70","6","i21","i22","10.1107/S1600536814008691","","","0.71073","MoKα","","0.0325","0.0268","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239527","5.2389","0.0003","16.1548","0.0008","14.0315","0.0007","90","","92.673","0.003","90","","1186.24","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[4-Bromo-2-(trifluoromethoxy)phenyl]-3-methyl-1H-1,2,4-triazole","","- C10 H7 Br F3 N3 O -","- C10 H7 Br F3 N3 O -","- C40 H28 Br4 F12 N12 O4 -","4","1","HB7221","Sandeep, C.; Padmashali, Basavaraj; Suchetan, P. A.; Kulkarni, Rashmi S.","1-[4-Bromo-2-(trifluoromethoxy)phenyl]-3-methyl-1H-1,2,4-triazole","Acta Crystallographica Section E","2014","70","6","o654","","10.1107/S1600536814010083","","","0.71073","MoKα","","0.0668","0.0383","","","0.1224","0.1351","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239528","7.434","0.004","7.475","0.003","16.785","0.002","90","","90","","90","","932.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-2-methylanilinium chloride monohydrate","","- C7 H11 Cl2 N O -","- C7 H11 Cl2 N O -","- C28 H44 Cl8 N4 O4 -","4","1","FJ2671","Maroua, Arbi; Lamia, Khederi; Ahmed, Hamdi; Mohamed, Rzaigui","3-Chloro-2-methylanilinium chloride monohydrate","Acta Crystallographica Section E","2014","70","6","o643","","10.1107/S1600536814009921","","","0.56087","AgKα","","0.1571","0.0547","","","0.1299","0.1628","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239529","9.6438","0.0012","6.5322","0.001","7.929","0.003","90","","93.653","0.013","90","","498.5","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Europium(III) chloride hexahydrate","Hexaaquadichloridoeuropium(III) chloride","","- Cl3 Eu H12 O6 -","- Cl3 Eu H12 O6 -","- Cl6 Eu2 H24 O12 -","2","0.5","WM5012","Tambornino, Frank; Bielec, Philipp; Hoch, Constantin","Redetermination of [EuCl~2~(H~2~O)~6~]Cl","Acta Crystallographica Section E","2014","70","6","i27","","10.1107/S1600536814010307","","","0.56083","AgKα","","0.018","0.015","","","0.0318","0.0323","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239530","8.8522","0.0019","9.474","0.002","23.512","0.005","90","","97.446","0.004","90","","1955.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorido(N,N-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^N,N'}aniline)mercury(II)","","- C20 H21 Cl2 Hg N3 -","- C20 H21 Cl2 Hg N3 -","- C80 H84 Cl8 Hg4 N12 -","4","1","ZS2295","Faizi, Md. Serajul Haque; Hussain, Sahid","Dichlorido(N,N-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^N,N'}aniline)mercury(II)","Acta Crystallographica Section E","2014","70","6","m197","","10.1107/S160053681400957X","","","0.71073","MoKα","","0.0355","0.0286","","","0.066","0.0886","","","","","","1.169","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239531","9.4904","0.0007","9.499","0.0007","7.5702","0.0005","97.056","0.006","105.096","0.006","107.54","0.005","613.06","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Y6NiI10","Hexayttrium nickel decaiodide","","- I10 Ni Y6 -","- I10 Ni Y6 -","- I10 Ni Y6 -","1","0.5","HP2066","Steinberg, Simon; Meyer, Gerd","Nickel hexayttrium decaiodide, [NiY~6~]I~10~","Acta Crystallographica Section E","2014","70","6","i26","","10.1107/S1600536814009775","","","0.71073","MoKα","","0.0399","0.0342","","","0.0866","0.091","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239532","6.7023","0.0006","8.6335","0.0008","15.872","0.0013","76.305","0.007","84.399","0.007","77.252","0.007","869.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide","","- C19 H18 N4 O4 -","- C19 H18 N4 O4 -","- C38 H36 N8 O8 -","2","1","HG5393","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Narayana, B.; Byrappa, K.","N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2014","70","6","o636","o637","10.1107/S1600536814009738","","","1.54184","CuKα","","0.0497","0.0457","","","0.123","0.1292","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239533","11.2068","0.0012","11.4956","0.0012","11.7728","0.0013","86.623","0.001","70.538","0.001","65.013","0.001","1290.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Octyl (2E)-2-[2-(diphenylphosphanyl)benzylidene] hydrazinecarbodithioate","","- C28 H33 N2 P S2 -","- C28 H33 N2 P S2 -","- C56 H66 N4 P2 S4 -","2","1","","Asri, Izuddin; Hamid, Malai Haniti S. A.; Mirza, Aminul Huq; Ali, Mohammad Akbar; Karim, Mohammad Rezaul","Octyl (2E)-2-[2-(diphenylphosphanyl)benzylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2014","70","6","o633","o634","10.1107/S1600536814008459","","","0.71073","MoKα","","0.0458","0.0429","","","0.1084","0.1107","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239534","7.9263","0.0003","19.0424","0.0007","12.5861","0.0004","90","","125.77","0.002","90","","1541.35","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate","","- C10 H32 Bi2 Br10 N4 O2 -","- C10 H32 Bi2 Br10 N4 O2 -","- C20 H64 Bi4 Br20 N8 O4 -","2","0.5","HB7225","Essid, Manel; Roisnel, Thierry; Marouani, Houda","Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate","Acta Crystallographica Section E","2014","70","6","m202","m203","10.1107/S1600536814009805","","","0.71073","MoKα","","0.0258","0.0227","","","0.0543","0.0555","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239535","10.7999","0.0013","7.7939","0.0009","17.406","0.002","90","","101.748","0.002","90","","1434.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Iodo-1H-pyrazolo[3,4-b]pyridine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","1","","Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi","3-Iodo-1H-pyrazolo[3,4-b]pyridine","Acta Crystallographica Section E","2014","70","6","o650","","10.1107/S1600536814010009","","","0.71073","MoKα","","0.0176","0.0166","","","0.0397","0.0402","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239536","10.0345","0.0002","10.5208","0.0002","10.7237","0.0002","71.561","0.001","69.601","0.001","83.039","0.001","1006.56","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-(1-Allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methylbenzenesulfonamide","","- C19 H20 Cl N3 O3 S -","- C19 H20 Cl N3 O3 S -","- C38 H40 Cl2 N6 O6 S2 -","2","1","BT6978","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","N-(1-Allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o653","","10.1107/S1600536814010253","","","0.71073","MoKα","","0.0499","0.0407","","","0.1185","0.1264","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239537","8.9894","0.0008","5.7373","0.0003","22.5855","0.0018","90","","111.348","0.004","90","","1084.92","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-[(2-Carboxyphenyl)sulfanyl]pyridine N-oxide","2-[(1-Oxidopyridin-4-yl)sulfanyl]benzoic acid","","- C12 H9 N O3 S -","- C12 H9 N O3 S -","- C48 H36 N4 O12 S4 -","4","1","LH5700","Moreno-Fuquen, Rodolfo; Valencia, Leidy; Ellena, Javier","2-[(1-Oxidopyridin-4-yl)sulfanyl]benzoic acid","Acta Crystallographica Section E","2014","70","6","o644","","10.1107/S1600536814009854","","","0.71073","MoKα","","0.1346","0.0478","","","0.0997","0.1322","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239538","8.4913","0.0005","8.6808","0.0005","15.3608","0.0009","92.675","0.005","96.46","0.004","114.753","0.004","1016.17","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[bis(pyridine-κN)nickel(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C12 H10 N4 Ni S2 -","- C12 H10 N4 Ni S2 -","- C36 H30 N12 Ni3 S6 -","3","1.5","FK2081","Neumann, Tristan; Jess, Inke; Näther, Christian","catena-Poly[[bis(pyridine-κN)nickel(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","Acta Crystallographica Section E","2014","70","6","m196","","10.1107/S1600536814009611","","","0.71073","MoKα","","0.0498","0.0353","","","0.0871","0.0928","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239539","9.005","0.002","10.889","0.003","10.341","0.003","90","","104.565","0.007","90","","981.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Prop-2-ynyl)-2H-1,4-benzothiazin-3(4H)-one","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","IM2453","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-(Prop-2-ynyl)-2H-1,4-benzothiazin-3(4H)-one","Acta Crystallographica Section E","2014","70","6","o641","","10.1107/S160053681400943X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0931","0.0971","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239540","11.1652","0.001","11.4205","0.0009","14.854","0.0011","90","","111.763","0.002","90","","1759.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","GG2137","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","6","o656","","10.1107/S1600536814010332","","","0.71073","MoKα","","0.0822","0.05","","","0.1173","0.1366","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239541","9.069","0.007","9.772","0.007","10.15","0.007","80.32","0.011","63.737","0.01","78.591","0.012","787.4","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,3-Diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one","","- C19 H14 N2 O S -","- C19 H14 N2 O S -","- C38 H28 N4 O2 S2 -","2","1","ZS2297","Yennawar, Hemant P.; Singh, Harnoor; Silverberg, Lee J.","2,3-Diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one","Acta Crystallographica Section E","2014","70","6","o638","","10.1107/S1600536814009714","","","0.71073","MoKα","","0.0453","0.0407","","","0.1099","0.1138","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239542","7.631","0.004","12.416","0.005","12.461","0.005","107.99","0.03","101.08","0.03","94.77","0.03","1089.1","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","Diethyl 7,7'-dichloro-4-oxo-4H-[1,4'-biquinoline]-3,3'-dicarboxylate","","- C24 H18 Cl2 N2 O5 -","- C24 H18 Cl2 N2 O5 -","- C48 H36 Cl4 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Sugisawa, Yasuhiro","Diethyl 7,7'-dichloro-4-oxo-4H-[1,4'-biquinoline]-3,3'-dicarboxylate","Acta Crystallographica Section E","2014","70","6","o655","","10.1107/S1600536814010320","","","0.71069","MoKα","","","0.0599","","","","0.1863","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239543","6.6085","0.0012","12.649","0.003","18.757","0.004","90","","99.601","0.002","90","","1546","0.6","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","1","","Parveen, Shagufta; Hussain, Saghir; Zhu, Shaojuan; Hao, Xin; Zhu, Changjin","2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid","Acta Crystallographica Section E","2014","70","6","o627","","10.1107/S1600536814008903","","","0.71073","MoKα","","0.0598","0.0485","","","0.1213","0.1297","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239544","10.367","0.002","11.054","0.001","13.167","0.002","90","","112.45","0.02","90","","1394.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate","","- C9 H22 N4 O6 -","- C9 H22 N4 O6 -","- C36 H88 N16 O24 -","4","1","NC2324","Chebbi, Hammouda; Ben Smail, Ridha; Zid, Mohamed Faouzi","4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate","Acta Crystallographica Section E","2014","70","6","o642","","10.1107/S1600536814009787","","","0.71073","MoKα","","0.0694","0.0439","","","0.1063","0.1211","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239545","8.36521","0.00009","14.13395","0.00014","26.9223","0.0003","90","","90","","90","","3183.12","0.06","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3DBNS","N,N'-(Propane-1,3-diyl)dibenzothioamide","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C136 H144 N16 S16 -","8","1","BV2233","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","N,N'-(Propane-1,3-diyl)dibenzothioamide","Acta Crystallographica Section E","2014","70","6","o639","","10.1107/S160053681400974X","","","1.54178","CuKα","","0.0327","0.0316","","","0.0843","0.0853","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239546","12.7912","0.0013","13.7023","0.0016","14.3811","0.0013","105.595","0.003","90.858","0.002","111.932","0.003","2233.2","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","[μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^P:P']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^P,P']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate","","- C92 H104 Cu2 F12 O2 P8 -","- C92 H104 Cu2 F12 O2 P8 -","- C92 H104 Cu2 F12 O2 P8 -","1","0.5","IS5355","Nishikawa, Michihiro; Akiyama, Asumi; Tsubomura, Taro","[μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^P:P']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^P,P']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","6","m204","m205","10.1107/S1600536814009763","","","0.7107","MoKα","","0.0444","0.0363","","","","0.0899","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239547","10.3694","0.0011","6.9914","0.0008","12.3857","0.0013","90","","105.619","0.002","90","","864.76","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(4-Hydroxyphenyl)imidazolidine-2,4-dione","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C36 H32 N8 O12 -","4","1","KQ2013","Xue, Jin-hui; Qin, Yong-qi; Zhang, Zi-feng; Qiao, Yuan-biao","5-(4-Hydroxyphenyl)imidazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","6","o649","","10.1107/S1600536814010034","","","0.71073","MoKα","","0.0601","0.0351","","","0.0783","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239548","7.4869","0.0003","19.5052","0.0008","16.8538","0.0007","90","","102.907","0.001","90","","2399.03","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4,4'-di-tert-butyl-2,2'-bipyridine-κ^2^N,N')palladium(II) dimethyl sulfoxide monosolvate monohydrate","","- C20 H32 Cl2 N2 O2 Pd S -","- C20 H32 Cl2 N2 O2 Pd S -","- C80 H128 Cl8 N8 O8 Pd4 S4 -","4","1","PJ2010","Gutiérrez-Márquez, Ricardo A.; Crisóstomo-Lucas, Carmela; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","Dichlorido(4,4'-di-tert-butyl-2,2'-bipyridine-κ^2^N,N')palladium(II) dimethyl sulfoxide monosolvate monohydrate","Acta Crystallographica Section E","2014","70","6","m200","m201","10.1107/S1600536814009453","","","0.71073","MoKα","","0.034","0.0276","","","0.0717","0.0759","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239549","9.1465","0.0003","10.0346","0.0004","16.6469","0.0006","90","","90","","90","","1527.88","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","IS5345","Li, Jian; Ma, Jia Qi; Mo, Wei Min; Shen, Zhen Lu","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2014","70","6","o665","","10.1107/S1600536814009040","","","0.71073","MoKα","","0.044","0.0386","","","0.0924","0.096","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239550","14.7762","0.0008","10.94","0.0006","17.8153","0.001","90","","111.327","0.002","90","","2682.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorobutanoyl)-3-(3-chlorophenyl)thiourea","","- C11 H12 Cl2 N2 O S -","- C11 H12 Cl2 N2 O S -","- C88 H96 Cl16 N16 O8 S8 -","8","2","RZ5121","Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.; Fadzil, Adibatul H.","1-(4-Chlorobutanoyl)-3-(3-chlorophenyl)thiourea","Acta Crystallographica Section E","2014","70","6","o675","","10.1107/S1600536814009295","","","0.71073","MoKα","","0.0754","0.0575","","","0.1438","0.1623","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239551","12.3002","0.0007","13.3758","0.0007","15.5662","0.0009","90","","96.377","0.005","90","","2545.2","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diaminebis(phenolate)","2,4-Di-tert-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol","","- C26 H40 N2 O2 -","- C26 H40 N2 O2 -","- C104 H160 N8 O8 -","4","1","BT6979","Spaleniak, Grzegorz P.; Bisz, Elwira; Białek, Marzena; Zarychta, Bartosz","2,4-Di-tert-butyl-6-({[2-(dimethylamino)ethyl](2-hydroxybenzyl)amino}methyl)phenol","Acta Crystallographica Section E","2014","70","6","o678","","10.1107/S1600536814010241","","","0.71073","MoKα","","0.107","0.0438","","","0.0892","0.0989","","","","","","0.778","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239552","33.765","0.005","4.4569","0.0005","19.977","0.003","90","","123.1","0.004","90","","2518.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(5-Iodo-2-oxoindolin-3-ylidene)thiosemicarbazone","2-(5-Iodo-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","","- C9 H7 I N4 O S -","- C9 H7 I N4 O S -","- C72 H56 I8 N32 O8 S8 -","8","1","","Conceição Duarte de Bittencourt, Viviane; Carratu Gervini, Vanessa; Rosa de Menezes Vicenti, Juliano; Maciel Velasques, Jecika; Jussiane Zambiazi, Priscilla","2-(5-Iodo-2-oxoindolin-3-ylidene)hydrazinecarbothioamide including an unknown solvate","Acta Crystallographica Section E","2014","70","6","o666","o667","10.1107/S1600536814010782","","","0.71073","MoKα","","0.034","0.0277","","","0.0596","0.0616","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239553","7.946","0.0002","24.1545","0.0007","7.9685","0.0002","90","","100.997","0.001","90","","1501.32","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 F I O2 S -","- C16 H12 F I O2 S -","- C64 H48 F4 I4 O8 S4 -","4","1","HB7228","Choi, Hong Dae; Lee, Uk","2-(2-Fluorophenyl)-5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o659","","10.1107/S1600536814010459","","","0.71073","MoKα","","0.0285","0.0255","","","0.0578","0.0589","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239554","10.322","0.002","8.1678","0.0019","16.798","0.004","90","","92.111","0.004","90","","1415.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxylate","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","SU2724","AboulWafa, Omaima M.; Farghaly, Ahmed M.; Teleb, Mohamed; Sinoussy, Khaled S.","Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2014","70","6","o672","o673","10.1107/S1600536814010113","","","0.71075","MoKα","","0.1083","0.0764","","","0.1659","0.1824","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239555","9.2547","0.0003","19.3814","0.0006","19.4249","0.0006","90","","93.043","0.001","90","","3479.31","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile-κN)iodidobis(triphenylphosphane-κP)copper(I)","","- C38 H33 Cu I N P2 -","- C38 H33 Cu I N P2 -","- C152 H132 Cu4 I4 N4 P8 -","4","1","LH5703","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Mokakul, Jedsada; Sukpornsawan, Phattarin","(Acetonitrile-κN)iodidobis(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2014","70","6","m219","","10.1107/S1600536814010940","","","0.71073","MoKα","","0.0458","0.0358","","","0.0813","0.0857","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239556","7.3627","0.0005","12.4007","0.001","14.4365","0.0012","90","","90","","90","","1318.09","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{(E)-[(2-Methylphenyl)iminiumyl]methyl}naphthalen-2-olate","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","HB7171","Khelifa Baghdouche, Ammar; Mosbah, Salima; Belhocine, Youghourta; Bencharif, Leïla","Zwitterionic 1-{(E)-[(2-methylphenyl)iminiumyl]methyl}naphthalen-2-olate","Acta Crystallographica Section E","2014","70","6","o676","","10.1107/S1600536814008794","","","0.71073","MoKα","","0.0538","0.0407","","","0.103","0.1109","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239557","12.8657","0.0012","26.281","0.003","13.971","0.003","90","","121.875","0.01","90","","4011.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^O,O'}bis(triphenylphosphane-κP)copper(I)","","- C44 H41 Cu N O5 P3 S -","- C44 H41 Cu N O5 P3 S -","- C176 H164 Cu4 N4 O20 P12 S4 -","4","1","","Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Znovjyak, Kateryna O.; Amirkhanov, Vladimir M.","{Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^O,O'}bis(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2014","70","6","m209","m210","10.1107/S1600536814010095","","","0.71073","MoKα","","0.1895","0.0856","","","0.1014","0.1201","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239558","15.5505","0.0006","7.8816","0.0003","16.6876","0.0007","90","","103.942","0.001","90","","1985.03","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-Formylphenyl)-4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide","","- C21 H19 N O5 S2 -","- C21 H19 N O5 S2 -","- C84 H76 N4 O20 S8 -","4","1","XU5787","Kim, Sung-Gon","N-(2-Formylphenyl)-4-methyl-N-[(4-methylphenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o660","","10.1107/S1600536814010666","","","0.71073","MoKα","","0.0953","0.0494","","","0.1119","0.1734","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239559","7.2416","0.0005","14.6215","0.001","12.9562","0.0009","90","","105.423","0.002","90","","1322.44","0.16","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine-κ^2^N,N')dichloridopalladium(II) 1,4-dioxane hemisolvate","","- C12 H12 Cl2 N2 O Pd -","- C12 H12 Cl2 N2 O Pd -","- C48 H48 Cl8 N8 O4 Pd4 -","4","1","","Gutiérrez Márquez, Ricardo Alfredo; Crisóstomo-Lucas, Carmela; Morales-Morales, David; Hernández-Ortega, Simón","(2,2'-Bipyridine-κ^2^N,N')dichloridopalladium(II) 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2014","70","6","m218","","10.1107/S1600536814009507","","","0.71073","MoKα","","0.0685","0.0512","","","0.1365","0.1532","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239560","13.3528","0.0003","15.0683","0.0004","15.0721","0.0003","78.857","0.001","66.385","0.001","63.82","0.001","2493.06","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-\ κ^2^N,Se}(triphenylphosphane-κP)palladium(II)","","- C27 H27 Cl N P Pd Se -","- C27 H27 Cl N P Pd Se -","- C108 H108 Cl4 N4 P4 Pd4 Se4 -","4","2","NK2221","Takaluoma, Esther M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-κ^2^N,Se}(triphenylphosphane-κP)palladium(II)","Acta Crystallographica Section E","2014","70","6","m215","","10.1107/S1600536814010678","","","0.71073","MoKα","","0.0568","0.0313","","","0.0531","0.0584","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239561","6.7744","0.0001","17.2209","0.0004","19.1592","0.0005","90","","90","","90","","2235.14","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-Deacetoxy-1-oxocaesalmin","1-Deacetoxy-1-oxocaesalmin","","- C24 H30 O7 -","- C24 H30 O7 -","- C96 H120 O28 -","4","1","ZS2299","Feng, Juan; Zhang, Jian-Long; Zhang, Rong-Rong; Ruan, Li-Jun; Jiang, Ren-Wang","1-Deacetoxy-1-oxocaesalmin","Acta Crystallographica Section E","2014","70","6","o662","","10.1107/S1600536814011040","","","1.54184","CuKα","","0.0381","0.0342","","","0.0835","0.0873","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239562","7.5429","0.0004","8.18","0.0005","14.8434","0.0008","75.299","0.005","82.8","0.005","78.873","0.005","866.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(sulfamerazinate)","Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis[(4-aminophenylsulfonyl)(4-methylpyrimidin-2-yl)azanide]","","- C26 H42 Cu N12 O6 S2 -","- C26 H42 Cu N12 O6 S2 -","- C26 H42 Cu N12 O6 S2 -","1","0.5","NC2325","Direm, Amani; Falek, Wahiba; Pilet, Guillaume; Benali-Cherif, Nourredine","Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(sulfamerazinate)","Acta Crystallographica Section E","2014","70","6","m222","m223","10.1107/S160053681401068X","","","0.71069","MoKα","","0.048","0.0374","","","0.1414","0.0968","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239563","11.0023","0.0003","10.6435","0.0003","11.3393","0.0003","90","","92.481","0.003","90","","1326.62","0.06","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium isonicotinate","4-[Bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate","","- C32 H31 F2 N3 O2 -","- C32 H31 F2 N3 O2 -","- C64 H62 F4 N6 O4 -","2","1","LH5702","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.","Flunarizinium isonicotinate","Acta Crystallographica Section E","2014","70","6","o681","o682","10.1107/S1600536814010423","","","1.54184","CuKα","","0.0417","0.0399","","","0.1072","0.1098","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239564","7.813","0.0003","25.6453","0.001","7.9162","0.0004","90","","90","","90","","1586.14","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Barium gallium oxynitride","Tetrabarium gallium trinitride oxide","","- Ba4 Ga N3 O -","- Ba4 Ga N3 O -","- Ba32 Ga8 N24 O8 -","8","1","HP2067","Hashimoto, Takayuki; Yamane, Hisanori","Ba~4~GaN~3~O","Acta Crystallographica Section E","2014","70","6","i28","","10.1107/S1600536814010472","","","0.71075","MoKα","","0.0476","0.0425","","","0.0959","0.099","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239565","12.5079","0.0003","5.5728","0.0001","25.3761","0.0006","90","","96.848","0.0011","90","","1756.2","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-4-(4-Bromophenyl)-2-{2-[(1E)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","","- C20 H18 Br N3 S -","- C20 H18 Br1.0002 N3 S -","- C80 H72 Br4.0008 N12 S4 -","4","1","QM2107","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(2E)-4-(4-Bromophenyl)-2-{2-[(1E)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","Acta Crystallographica Section E","2014","70","6","o669","","10.1107/S1600536814010897","","","1.54178","CuKα","","0.0371","0.0298","","","0.0679","0.0715","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239566","16.7237","0.0009","7.7455","0.0004","10.1868","0.0005","90","","93.557","0.002","90","","1316.99","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N'-[(E)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide","","- C12 H8 Br Cl N2 O3 -","- C12 H8 Br Cl N2 O3 -","- C48 H32 Br4 Cl4 N8 O12 -","4","1","BT6980","Sundar, A.; Ranjith, S.; Rajagopal, G.","N'-[(E)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide","Acta Crystallographica Section E","2014","70","6","o670","","10.1107/S160053681401085X","","","0.71073","MoKα","","0.0645","0.0339","","","0.0749","0.0849","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239567","8.5296","0.0009","8.6165","0.0009","12.9821","0.0014","91.81","0.006","102.566","0.005","100.514","0.005","913.1","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","","- C17 H18 Cl N3 O4 S -","- C17 H18 Cl N3 O4 S -","- C34 H36 Cl2 N6 O8 S2 -","2","1","RZ5125","Chicha, Hakima; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o679","","10.1107/S1600536814010800","","","0.71073","MoKα","","0.0497","0.0441","","","0.1226","0.1282","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239568","12.523","0.003","10.699","0.003","18.93","0.005","90","","102.291","0.006","90","","2478.2","1.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","2","RK2428","Bunev, Alexander S.; Sukhonosova, Elena V.; Purygin, Petr P.; Ostapenko, Gennady I.; Khrustalev, Victor N.","2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole","Acta Crystallographica Section E","2014","70","6","o668","","10.1107/S1600536814010885","","","0.71073","MoKα","","0.1849","0.065","","","0.112","0.1567","","","","","","0.931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239569","22.46","0.05","6.773","0.014","19.28","0.04","90","","102.22","0.06","90","","2866","11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Chloro-2-benzoylaniline thiosemicarbazone","2-Benzoyl-4-chloroaniline thiosemicarbazone","","- C14 H13 Cl N4 S -","- C14 H13 Cl N4 S -","- C112 H104 Cl8 N32 S8 -","8","1","BX2459","Bandeira, Katlen C. T.; Bresolin, Leandro; Lehmann, Ueslei Z.; Zambiazi, Priscilla J.; de Oliveira, Adriano Bof","2-Benzoyl-4-chloroaniline thiosemicarbazone","Acta Crystallographica Section E","2014","70","6","o680","","10.1107/S1600536814011027","","","0.71073","MoKα","","0.0552","0.0444","","","0.1087","0.1154","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239570","9.3789","0.0015","12.2809","0.0018","12.936","0.002","63.995","0.004","68.803","0.004","69.887","0.004","1217.6","0.3","200","2","200.15","","","","","","","","","3","P -1","-P 1","2","","9-Allyl-9H-fluoren-9-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","2","CV5454","Knight, Kyle S.; Wood, Harvey B.","9-Allyl-9H-fluoren-9-ol","Acta Crystallographica Section E","2014","70","6","o677","","10.1107/S1600536814010290","","","0.71073","MoKα","","0.0423","0.037","","","0.0992","0.1045","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239571","25.6891","0.0009","7.28","0.0002","21.6485","0.0006","90","","114.865","0.001","90","","3673.33","0.19","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-Aminoacridin-10-ium 4-aminobenzoate dihydrate","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C160 H168 N24 O32 -","8","2","IS5353","Dhanabalan, Nallathambi; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul; Santhanaraj, K. Joseph","9-Aminoacridin-10-ium 4-aminobenzoate dihydrate","Acta Crystallographica Section E","2014","70","6","o657","o658","10.1107/S160053681401023X","","","0.71073","MoKα","","0.0815","0.0524","","","0.115","0.1277","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239572","8.4939","0.0003","12.5451","0.0006","14.6717","0.0006","81.662","0.002","75.613","0.001","79.442","0.001","1480.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-N-[(E)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate","","- C54 H66 N10 Ni2 O18 -","- C54 H66 N10 Ni2 O18 -","- C54 H66 N10 Ni2 O18 -","1","0.5","FJ2672","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng","Bis{μ-N-[(E)-4-benzyloxy-2-oxidobenzylidene]-4-nitrobenzenecarbohydrazidato}bis[diaquanickel(II)] dimethylformamide tetrasolvate","Acta Crystallographica Section E","2014","70","6","m211","m212","10.1107/S1600536814010150","","","0.71073","MoKα","","0.0748","0.0481","","","0.1197","0.1381","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239573","9.0635","0.0004","6.3973","0.0003","13.9872","0.0007","90","","104.241","0.005","90","","786.08","0.07","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","XU5788","Chen, Shao-Yuan; Zhang, Ya-Ping; Huang, Bing; Yu, Jia-Jun; Shi, Wei-Yong","1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene","Acta Crystallographica Section E","2014","70","6","o671","","10.1107/S1600536814010204","","","1.5418","CuKα","","0.0475","0.0386","","","0.1041","0.1137","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239574","19.2484","0.0005","5.29088","0.00012","20.1825","0.0006","90","","92.497","0.003","90","","2053.45","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl N-[2-(N-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamat","","- C18 H30 N2 O5 S -","- C18 H30 N2 O5 S -","- C72 H120 N8 O20 S4 -","4","1","","Bai, Xiao-Guang; Wang, Ju-Xian","tert-Butyl N-[2-(N-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamate","Acta Crystallographica Section E","2014","70","6","o674","","10.1107/S1600536814009143","","","1.54184","CuKα","","0.042","0.0337","","","0.0818","0.089","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239575","13.558","0.004","49.646","0.014","8.058","0.002","90","","90","","90","","5424","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","","- C24 H38 Cl4 N2 Sn -","- C24 H38 Cl4 N2 Sn -","- C192 H304 Cl32 N16 Sn8 -","8","0.5","WM5023","Sarr, Modou; Merkens, Carina; Diassé-Sarr, Aminata; Diop, Libasse; Englert, Ulli","Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)","Acta Crystallographica Section E","2014","70","6","m220","m221","10.1107/S160053681401109X","","","0.71073","MoKα","","0.0469","0.0433","","","0.0979","0.0996","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239576","12.7422","0.0003","22.2773","0.0003","11.1761","0.0003","90","","114.014","0.003","90","","2897.88","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","","- C28 H28 Cl F3 N4 O3 S2 -","- C28 H28 Cl F3 N4 O3 S2 -","- C112 H112 Cl4 F12 N16 O12 S8 -","4","1","HB7223","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H.S.","Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","6","o683","o684","10.1107/S1600536814010411","","","1.54184","CuKα","","0.0542","0.0486","","","0.1318","0.1382","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239577","12.95","0.003","21.903","0.006","19.915","0.005","90","","103.201","0.004","90","","5499","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(N,N'-Diethylthiourea-κS)tris(triphenylphosphane-κP)silver(I) acetate methanol monosolvate","","- C62 H64 Ag N2 O3 P3 S -","- C62 H64 Ag N2 O3 P3 S -","- C248 H256 Ag4 N8 O12 P12 S4 -","4","1","LH5701","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Kamrod, Chanakan","(N,N'-Diethylthiourea-κS)tris(triphenylphosphane-κP)silver(I) acetate methanol monosolvate","Acta Crystallographica Section E","2014","70","6","m216","m217","10.1107/S1600536814010824","","","0.71073","MoKα","","0.1066","0.0531","","","0.1016","0.1201","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239578","18.2973","0.0006","7.02041","0.00014","20.1554","0.0006","90","","104.601","0.003","90","","2505.44","0.13","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride monohydrate","1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate","","- C26 H29 Cl2 F2 N2 O0.5 -","- C26 H29 Cl2 F2 N2 O0.5 -","- C104 H116 Cl8 F8 N8 O2 -","4","1","SJ5400","Shivaprakash, S.; Chandrasekara Reddy, G.; Jasinski, Jerry P.","1-[Bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate","Acta Crystallographica Section E","2014","70","6","o694","o695","10.1107/S1600536814011064","","","0.71073","MoKα","","0.0774","0.0568","","","0.1406","0.1533","","","","","","1.086","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2239579","8.7717","0.0013","8.8631","0.0013","12.3184","0.0016","88.283","0.009","82.302","0.009","60.895","0.008","828.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2Z)-2-Benzylidene-4-n-utyl-3,4-dihydro-2H-1,4-benzothiazin-3-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C38 H38 N2 O2 S2 -","2","1","TK5313","Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2Z)-2-Benzylidene-4-n-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-one","Acta Crystallographica Section E","2014","70","6","o686","","10.1107/S160053681401054X","","","0.71073","MoKα","","0.063","0.0437","","","0.1152","0.1285","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239580","10.0219","0.0012","9.7818","0.0011","9.9945","0.0012","90","","107.438","0.0014","90","","934.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bromophenyl enone","3-(4-Bromophenyl)cyclopent-2-en-1-one","","- C11 H9 Br O -","- C11 H9 Br O -","- C44 H36 Br4 O4 -","4","1","MW2122","Shurdha, Endrit; Dees, Kelsey; Miller, Hannah A.; Iacono, Scott T.; Balaich, Gary J.","3-(4-Bromophenyl)cyclopent-2-en-1-one","Acta Crystallographica Section E","2014","70","6","o692","o693","10.1107/S160053681401071X","","","0.71073","MoKα","","0.0346","0.0247","","","0.0532","0.0573","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239581","11.2925","0.0004","9.5672","0.0003","14.056","0.0006","90","","94.625","0.002","90","","1513.63","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-Trinitrophenyl 3-bromobenzoate","","","- C13 H6 Br N3 O8 -","- C13 H6 Br N3 O8 -","- C52 H24 Br4 N12 O32 -","4","1","FK2082","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.","2,4,6-Trinitrophenyl 3-bromobenzoate","Acta Crystallographica Section E","2014","70","6","o689","","10.1107/S1600536814010952","","","0.71073","MoKα","","0.0409","0.0305","","","0.0762","0.0809","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239582","11.5625","0.0007","12.5552","0.0008","13.7686","0.0009","82.559","0.001","76.515","0.001","89.897","0.001","1926.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-diphenylphosphinamide-κ^2^O:O)bis[bis(diphenylphosphinamide-κO)lithium] dichloride acetonitrile disolvate","","- C76 H78 Cl2 Li2 N8 O6 P6 -","- C76 H78 Cl2 Li2 N8 O6 P6 -","- C76 H78 Cl2 Li2 N8 O6 P6 -","1","0.5","","Li, Ai-Hong; Han, Jun-Ping; Li, Jing","Bis(μ~2~-diphenylphosphinamide-κ^2^O:O)bis[bis(diphenylphosphinamide-κO)lithium] dichloride acetonitrile disolvate","Acta Crystallographica Section E","2014","70","6","m224","","10.1107/S1600536814011076","","","0.71073","MoKα","","0.052","0.0351","","","0.0834","0.0931","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239583","13.0859","0.0017","11.8258","0.0016","27.504","0.004","90","","98.93","0.002","90","","4204.7","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate","","- C40 H64 B N6 O P3 -","- C40 H64 B N6 O P3 -","- C160 H256 B4 N24 O4 P12 -","4","1","LH5704","Ellis, Bobby D.; Morasset, Erica V.; Macdonald, Charles L. B.","1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate","Acta Crystallographica Section E","2014","70","6","o691","","10.1107/S1600536814011258","","","0.71073","MoKα","","0.1241","0.062","","","0.1278","0.154","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239584","8.76","0.005","13.327","0.005","13.387","0.005","107.774","0.005","109.045","0.005","99.504","0.005","1344.6","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[tris(propane-1,3-diamine-κ^2^N,N')nickel(II)] diaquabis(propane-1,3-diamine-κ^2^N,N')nickel(II) hexabromide dihydrate","","- C24 H88 Br6 N16 Ni3 O4 -","- C24 H88 Br6 N16 Ni3 O4 -","- C24 H88 Br6 N16 Ni3 O4 -","1","0.5","RK2424","Yangui, Aymen; Rekik, Walid; Elleuch, Slim; Abid, Younes","Bis[tris(propane-1,3-diamine-κ^2^N,N')nickel(II)] diaquabis(propane-1,3-diamine-κ^2^N,N')nickel(II) hexabromide dihydrate","Acta Crystallographica Section E","2014","70","6","m227","m228","10.1107/S1600536814011052","","","0.71073","MoKα","","0.0915","0.0382","","","0.0712","0.084","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239585","10.9154","0.0004","19.2514","0.0006","20.1826","0.0007","90","","91.008","0.002","90","","4240.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(tetraphenylphosphonium) tetrachlorocobaltate(II)","Bis(tetraphenylphosphonium) tetrachloridocobaltate(II)","","- C48 H40 Cl4 Co P2 -","- C48 H40 Cl4 Co P2 -","- C192 H160 Cl16 Co4 P8 -","4","0.5","XU5791","Ouahida, Zeghouan; Hadjadj, Nasreddine; Guenifa, Fatiha; Bendjeddou, Lamia; Merazig, Hocine","Bis(tetraphenylphosphonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2014","70","6","m229","m230","10.1107/S1600536814011210","","","0.71073","MoKα","","0.0391","0.0302","","","","0.0836","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239586","5.3899","0.0004","8.3705","0.0005","13.7369","0.0008","91.209","0.002","96.417","0.002","92.731","0.002","614.96","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","1-(4-Bromophenyl)-3-(3-chloropropanoyl)thiourea","","- C10 H10 Br Cl N2 O S -","- C10 H10 Br Cl N2 O S -","- C20 H20 Br2 Cl2 N4 O2 S2 -","2","1","RK2427","Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.; Fadzil, Adibatul H.","1-(4-Bromophenyl)-3-(3-chloropropanoyl)thiourea","Acta Crystallographica Section E","2014","70","6","o685","","10.1107/S1600536814011209","","","0.71073","MoKα","","0.0534","0.0427","","","0.0996","0.1106","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239587","24.7777","0.0005","8.35654","0.00016","25.0089","0.0006","90","","113.878","0.003","90","","4735","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,6-Lutidinium dihydrogendecavanadate dihydrate","Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate","","- C28 H46 N4 O30 V10 -","- C28 H46 N4 O30 V10 -","- C112 H184 N16 O120 V40 -","4","0.5","","Rakovský, Erik; Krivosudský, Lukáš","Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate","Acta Crystallographica Section E","2014","70","6","m225","m226","10.1107/S1600536814011118","","","0.71073","MoKα","","0.0382","0.0307","","","0.0796","0.084","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239588","8.8562","0.0002","10.3095","0.0002","11.1248","0.0002","91.147","0.001","113.425","0.001","98.036","0.001","919.66","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","","- C22 H24 O2 S -","- C22 H24 O2 S -","- C44 H48 O4 S2 -","2","1","LD2128","Choi, Hong Dae; Lee, Uk","5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o690","","10.1107/S1600536814011192","","","0.71073","MoKα","","0.0503","0.043","","","0.1082","0.1129","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239589","8.2629","0.0005","33.093","0.003","10.0877","0.0006","90","","90","","90","","2758.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","","- C28 H44 N2 O6 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","0.5","","Rivera, Augusto; Miranda-Carvajal, Ingrid; Osorio, Héctor Jairo; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate","Acta Crystallographica Section E","2014","70","6","o687","o688","10.1107/S1600536814010769","","","0.71073","MoKα","","0.0806","0.0748","","","0.1374","0.1403","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239590","9.5018","0.0002","14.8695","0.0002","17.6757","0.0003","113.638","0.001","102.188","0.001","93.127","0.001","2209.06","0.07","298","","298","","","","","","","","","3","P -1","-P 1","2","","6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","3","KP2470","Rahman, Md. Lutfor; Srinivasa, H. T.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid","Acta Crystallographica Section E","2014","70","6","o696","o697","10.1107/S1600536814010642","","","1.54178","CuKα","","0.0497","0.0449","","","0.1424","0.1523","","","","","","1.064","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2239591","11.7103","0.0007","11.1289","0.0007","9.676","0.0007","90","","108.407","0.002","90","","1196.49","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[3-(2-Fluorobenzoyl)thioureido]propionic acid","","- C11 H11 F N2 O3 S -","- C11 H11 F N2 O3 S -","- C44 H44 F4 N8 O12 S4 -","4","1","CV5458","Ngah, Nurziana; Mohamed, Nor Azanita; Yamin, Bohari M.; Mohd Zaki, Hamizah","3-[3-(2-Fluorobenzoyl)thioureido]propionic acid","Acta Crystallographica Section E","2014","70","6","o705","","10.1107/S1600536814011404","","","0.71073","MoKα","","0.0557","0.0432","","","0.1093","0.1337","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239592","9.472","0.002","8.8083","0.0019","12.335","0.003","90","","111.459","0.004","90","","957.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","","- C20 H16 F4 N2 S2 -","- C20 H16 F4 N2 S2 -","- C40 H32 F8 N4 S4 -","2","1","BH2498","Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang","2,3,5,6-Tetrafluoro-1,4-bis({[(5-methylthiophen-2-yl)methylidene]amino}methyl)benzene","Acta Crystallographica Section E","2014","70","6","o698","","10.1107/S1600536814011398","","","0.71073","MoKα","","0.0545","0.0478","","","0.1221","0.129","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239593","9.4373","0.0005","15.8487","0.0008","12.1414","0.0006","90","","105.122","0.001","90","","1753.09","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","SU2733","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.","7,7-Dimethyl-2-methylamino-4-(4-methylphenyl)-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one","Acta Crystallographica Section E","2014","70","6","o710","o711","10.1107/S1600536814010794","","","0.71073","MoKα","","0.0519","0.0414","","","0.1176","0.1287","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239594","12.3425","0.0005","7.0365","0.0003","14.7178","0.0006","90","","94.213","0.003","90","","1274.76","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-pyrimidin-2-yl-piperazin-1-ium fumarate","4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carboxyprop-2-enoate","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C48 H64 N16 O16 -","4","1","SU2736","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.","4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2014","70","6","o702","o703","10.1107/S1600536814011489","","","1.54184","CuKα","","0.0466","0.04","","","0.1048","0.1108","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239595","10.3176","0.0004","14.4431","0.0006","15.4901","0.0006","90","","92.329","0.002","90","","2306.4","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9H-carbazole","","- C26 H19 Br N2 O5 S -","- C26 H19 Br N2 O5 S -","- C104 H76 Br4 N8 O20 S4 -","4","1","LD2127","Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","3-Bromomethyl-4-methoxy-2-(2-nitrophenyl)-9-phenylsulfonyl-9H-carbazole","Acta Crystallographica Section E","2014","70","6","o707","o708","10.1107/S160053681401143X","","","0.71073","MoKα","","0.1004","0.05","","","0.1387","0.1606","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239596","17.7458","0.0008","4.0629","0.0002","14.5745","0.0007","90","","107.868","0.003","90","","1000.13","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl (E)-3-(2-formylphenoxy)acrylate","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","SU2732","Karthikeyan, S.; Sethusankar, K.; Selvakumar, R.; Bakthadoss, M.","Methyl (E)-3-(2-formylphenoxy)acrylate","Acta Crystallographica Section E","2014","70","6","o709","","10.1107/S1600536814010617","","","0.71073","MoKα","","0.0584","0.0446","","","0.1374","0.1546","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239597","10.936","0.005","8.708","0.005","13.794","0.005","90","","109.529","0.005","90","","1238","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate","","- C11 H15 N O4 S2 -","- C11 H15 N O4 S2 -","- C44 H60 N4 O16 S8 -","4","1","","Zhang, Guo-Cui; Kong, Ming; Li, Sheng-Li","3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate","Acta Crystallographica Section E","2014","70","6","o714","","10.1107/S1600536814011660","","","0.71069","MoKα","","0.0304","0.0295","","","0.0791","0.0801","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239598","9.606","0.0002","10.4572","0.0002","33.8766","0.0007","90","","90","","90","","3402.97","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1(2-Furoyl)piperazinium 3,5-dinitrobenzoate","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C16 H16 N4 O8 -","- C16 H16 N4 O8 -","- C128 H128 N32 O64 -","8","1","TK5314","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H.S.","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2014","70","6","o700","o701","10.1107/S160053681401126X","","","1.54184","CuKα","","0.0487","0.0427","","","0.1162","0.1225","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239599","12.1369","0.0003","7.9431","0.0002","13.223","0.0004","90","","115.386","0.003","90","","1151.67","0.06","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea","","- C9 H10 Br Cl N2 S -","- C9 H10 Br Cl N2 S -","- C36 H40 Br4 Cl4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alotaibi, Mohammad Hayal; Kariuki, Benson M.","1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea","Acta Crystallographica Section E","2014","70","6","o704","","10.1107/S1600536814011350","","","1.5418","CuKα","","0.0304","0.0279","","","0.0752","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239600","16.196","0.003","20.174","0.003","9.901","0.0016","90","","106.733","0.003","90","","3098.1","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(1H-benzimidazol-2-yl)benzene","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","2","","Fu, Wei-Wei; Liang, Yan-Fei; Liu, Yang; Zhu, Xiao-Ming","A third polymorph of 1,4-bis(1H-benzimidazol-2-yl)benzene","Acta Crystallographica Section E","2014","70","6","o699","","10.1107/S1600536814011179","","","0.71073","MoKα","","0.1033","0.0533","","","0.1104","0.1263","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239601","9.4456","0.0009","5.4877","0.0003","10.0341","0.0009","90","","113.846","0.007","90","","475.71","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dibromo-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione","","- C8 H6 Br2 O4 -","- C8 H6 Br2 O4 -","- C16 H12 Br4 O8 -","2","0.5","TK5317","Orhan, Ersin; Garci, Amine; Therrien, Bruno","2,5-Dibromo-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section E","2014","70","6","o715","","10.1107/S1600536814011787","","","0.71073","MoKα","","0.0333","0.028","","","0.0648","0.0666","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239602","11.398","0.0002","15.7819","0.0004","16.7231","0.0004","90","","104.37","0.001","90","","2914.07","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 Cl F O2 S -","- C16 H12 Cl F O2 S -","- C128 H96 Cl8 F8 O16 S8 -","8","1","CV5456","Choi, Hong Dae; Lee, Uk","5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","6","o706","","10.1107/S1600536814011635","","","0.71073","MoKα","","0.0431","0.0367","","","0.0935","0.0979","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239603","12.0554","0.0003","6.3904","0.00017","19.3383","0.0004","90","","90","","90","","1489.8","0.06","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","catena-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^O^2^,N^1^,O^6^;O^3^,N^4^,O^5^-lithium-di-μ-aqua-κ^4^O:O] 2.5-hydrate]","","- C8 H11 Li2 N2 O12.5 -","- C8 H11 Li2 N2 O12.5 -","- C32 H44 Li8 N8 O50 -","4","0.25","","Starosta, Wojciech; Leciejewicz, Janusz","catena-Poly[[lithium-μ~2~-(dihydrogen pyrazine-2,3,5,6-tetracarboxylato)-κ^6^O^2^,N^1^,O^6^;O^3^,N^4^,O^5^-lithium-di-μ-aqua-κ^4^O:O] 2.5-hydrate]","Acta Crystallographica Section E","2014","70","6","m234","m235","10.1107/S160053681401174X","","","0.71073","MoKα","","0.0477","0.0421","","","0.1172","0.122","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239604","16.2004","0.0012","11.9587","0.001","11.3601","0.0007","90","","102.547","0.002","90","","2148.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,3-Dimethyl-2,6-diphenylpiperidin-4-one O-(phenoxycarbonyl)oxime","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C104 H104 N8 O12 -","4","1","SU2678","Raghuvarman, B.; Sivakumar, R.; Gokula Krishnan, K.; Thanikachalam, V.; Aravindhan, S.","(E)-1,3-Dimethyl-2,6-diphenylpiperidin-4-one O-(phenoxycarbonyl)oxime","Acta Crystallographica Section E","2014","70","6","o713","","10.1107/S1600536814010526","","","0.71073","MoKα","","0.099","0.0526","","","0.1499","0.1799","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239605","12.4336","0.0008","22.9278","0.0016","13.3267","0.0009","90","","113.266","0.004","90","","3490.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,8-Diazabicyclo[5.4.0]undec-7-en-8-ium bromido(phthalocyaninato)zincate","","- C41 H33 Br N10 Zn -","- C41 H33 Br N10 Zn -","- C164 H132 Br4 N40 Zn4 -","4","1","FJ2673","Przybył, Bartosz; Janczak, Jan","1,8-Diazabicyclo[5.4.0]undec-7-en-8-ium bromido(phthalocyaninato)zincate","Acta Crystallographica Section E","2014","70","6","m231","m232","10.1107/S160053681401157X","","","0.71073","MoKα","","0.1124","0.0571","","","0.1286","0.1433","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239606","10.9978","0.0006","10.5081","0.0006","12.7559","0.0007","90","","108.976","0.001","90","","1394.04","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[silver(I)-μ-N-[(pyridin-2-yl)methyl]pyridine-3-amine-κ^2^N:N'] hexafluoridophosphate]","","- C11 H11 Ag F6 N3 P -","- C11 H11 Ag F6 N3 P -","- C44 H44 Ag4 F24 N12 P4 -","4","1","","Moon, Suk-Hee; Park, Ki-Min","catena-Poly[[silver(I)-μ-N-[(pyridin-2-yl)methyl]pyridine-3-amine-κ^2^N:N'] hexafluoridophosphate]","Acta Crystallographica Section E","2014","70","6","m233","","10.1107/S1600536814011465","","","0.71073","MoKα","","0.0304","0.027","","","0.0687","0.0713","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239607","6.2293","0.0005","21.1153","0.0017","8.5989","0.0007","90","","109.171","0.001","90","","1068.32","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyano-1,3-phenylene diacetate","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","CV5455","Abbassi, Bahar; Brumfield, Michela; Jones, Lloyd M.; Nesterov, Vladimir N.; Carr, Andrew J.","5-Cyano-1,3-phenylene diacetate","Acta Crystallographica Section E","2014","70","6","o712","","10.1107/S1600536814011374","","","0.71073","MoKα","","0.035","0.0309","","","0.0883","0.0923","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239608","10.0585","0.0006","16.2371","0.0008","14.4301","0.0008","90","","98.854","0.005","90","","2328.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1H-pyrazol-1-yl)boranuido}dilithium","","- C50 H46 B2 Li2 N8 O2 P2 -","- C50 H46 B2 Li2 N8 O2 P2 -","- C100 H92 B4 Li4 N16 O4 P4 -","2","0.5","SJ5403","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1H-pyrazol-1-yl)boranuido}dilithium","Acta Crystallographica Section E","2014","70","6","m237","","10.1107/S1600536814011945","","","0.71073","MoKα","","0.0523","0.0408","","","0.0963","0.1008","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239609","4.61595","0.00013","17.6844","0.0004","11.7068","0.0003","90","","91.285","0.003","90","","955.39","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C44 H36 N4 O6 S2 -","2","1","TK5318","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, H. S.; Byrappa, K.","{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone","Acta Crystallographica Section E","2014","70","6","o738","o739","10.1107/S1600536814012185","","","1.54184","CuKα","","0.037","0.0346","","","0.0882","0.0898","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239610","10.8672","0.0008","14.0435","0.001","14.3584","0.001","90","","104.302","0.004","90","","2123.4","0.3","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide","","- C22 H26 N4 O3 S -","- C22 H26 N4 O3 S -","- C88 H104 N16 O12 S4 -","4","1","NR2051","Ukwueze, Nkechinyere N.; Ukoha, Pius O.; Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Groutso, Tania","N'-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide","Acta Crystallographica Section E","2014","70","6","o730","o731","10.1107/S1600536814012045","","","0.71073","MoKα","","0.05","0.0413","","","0.1151","0.1221","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239611","5.7677","0.0005","7.7233","0.0008","12.7269","0.0012","84.104","0.008","77.719","0.008","73.358","0.009","530.22","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(E)-(4-Hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione","","- C10 H10 N4 O S -","- C10 H10 N4 O S -","- C20 H20 N8 O2 S2 -","2","1","SJ5405","Sarojini, Balladka K.; Manjula, Padmanabha S.; Narayana, B.; Jasinski, Jerry P.","4-[(E)-(4-Hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","6","o733","o734","10.1107/S1600536814012215","","","1.54184","CuKα","","0.063","0.054","","","0.1407","0.1511","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239612","7.5475","0.0019","8.054","0.002","8.932","0.002","73.347","0.004","70.067","0.004","66.559","0.004","461.07","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(nicotinamide-κN^1^)bis(thiocyanato-κS)cobalt(II)","","- C14 H16 Co N6 O4 S2 -","- C14 H16 Co N6 O4 S2 -","- C14 H16 Co N6 O4 S2 -","1","0.5","XU5790","Pandey, Deepanjali; Narvi, Shahid S.; Chaudhuri, Siddhartha","Diaquabis(nicotinamide-κN^1^)bis(thiocyanato-κS)cobalt(II)","Acta Crystallographica Section E","2014","70","6","m236","","10.1107/S1600536814011453","","","0.71073","MoKα","","0.0397","0.0363","","","0.0934","0.0966","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239613","8.2346","0.0002","15.1469","0.0005","13.741","0.0004","90","","103.362","0.003","90","","1667.5","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(3RS,4RS)-3-phenyl-4-(phenylsulfonyl)isoxazolidin-2-yl]acetate","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","XU5792","Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer","Methyl 2-[(3RS,4RS)-3-phenyl-4-(phenylsulfonyl)isoxazolidin-2-yl]acetate","Acta Crystallographica Section E","2014","70","6","o728","o729","10.1107/S1600536814012161","","","0.71073","MoKα","","0.0321","0.0306","","","0.0837","0.0847","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239614","12.7485","0.0005","13.6973","0.0007","17.3623","0.0009","105.786","0.004","92.858","0.004","110.436","0.003","2698.3","0.2","210","","210","","","","","","","","","6","P -1","-P 1","2","","(1,6,7,12-Tetraazaperylene-κ^2^N,N')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^N,N')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate","","- C50 H49 F12 N11 P2 Ru -","- C48 H46 F12 N10 P2 Ru -","- C96 H92 F24 N20 P4 Ru2 -","2","1","TK5315","Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","(1,6,7,12-Tetraazaperylene-κ^2^N,N')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^N,N')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate","Acta Crystallographica Section E","2014","70","6","m238","m239","10.1107/S1600536814011969","","","0.71073","MoKα","","0.0681","0.0471","","","0.1169","0.1242","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239615","6.6843","0.0007","11.5971","0.0012","20.131","0.002","90","","90","0.004","90","","1560.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-acetylpiperazinium picrate","4-Acetylpiperazin-1-ium 2,4,6-trinitrophenolate","","- C12 H15 N5 O8 -","- C12 H15 N5 O8 -","- C48 H60 N20 O32 -","4","1","ZS2300","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S.","4-Acetylpiperazinium picrate","Acta Crystallographica Section E","2014","70","6","o717","o718","10.1107/S1600536814011726","","","1.54184","CuKα","","0.0494","0.0449","","","0.1215","0.1257","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239616","15.922","0.003","8.0335","0.0016","18.655","0.004","90","","90","","90","","2386.1","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl (E)-2,3-bis[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","","Liu, Peng; Yuan, Libin; Song, Xiuqing; Yan, Hong","Diethyl (E)-2,3-bis[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","Acta Crystallographica Section E","2014","70","6","o723","","10.1107/S1600536814011970","","","0.71073","MoKα","","0.0411","0.0377","","","0.0961","0.0989","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239617","7.4253","0.0004","8.7713","0.0004","20.7093","0.0011","96.238","0.004","94.4","0.005","100.177","0.004","1313.35","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide","","- C12 H17 N3 O S -","- C12 H17 N3 O S -","- C48 H68 N12 O4 S4 -","4","2","FJ2676","Anderson, Brian J.; Hall, Jeffrey R.; Jasinski, Jerry P.","N-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","6","o735","","10.1107/S1600536814012203","","","0.71073","MoKα","","0.1049","0.0704","","","0.1809","0.2044","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239618","10.9336","0.001","11.5258","0.0004","11.849","0.0007","89.44","0.004","62.687","0.007","89.296","0.005","1326.61","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile","","- C33 H24 F2 N2 O2 -","- C33 H24 F2 N2 O2 -","- C66 H48 F4 N4 O4 -","2","1","SU2739","Narayana, B.; Sapnakumari, M.; Sarojini, Balladka K.; Jasinski, Jerry P.","3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile","Acta Crystallographica Section E","2014","70","6","o736","o737","10.1107/S1600536814012197","","","1.54184","CuKα","","0.0561","0.0491","","","0.1289","0.1392","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239619","16.383","0.002","11.6119","0.0014","7.8213","0.0007","90","","90","","90","","1487.9","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(2E,7E)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","","- C17 H16 O S2 -","- C17 H16 O S2 -","- C68 H64 O4 S8 -","4","0.5","ZL2588","Nithya, C.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra","(2E,7E)-2,7-Bis[(thiophen-2-yl)methylidene]cycloheptanone","Acta Crystallographica Section E","2014","70","6","o722","","10.1107/S1600536814011866","","","0.71073","MoKα","","0.0666","0.049","","","0.1423","0.1616","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239620","7.0357","0.0008","10.0277","0.001","8.3112","0.0008","90","","116.149","0.008","90","","526.36","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-2,5-Dimethylpiperazine-1,4-diium dinitrate","","- C6 H16 N4 O6 -","- C6 H16 N4 O6 -","- C12 H32 N8 O12 -","2","0.5","BG2529","Gatfaoui, Sofian; Roisnel, Thierry; Dhaouadi, Hassouna; Marouani, Houda","trans-2,5-Dimethylpiperazine-1,4-diium dinitrate","Acta Crystallographica Section E","2014","70","6","o725","","10.1107/S1600536814012100","","","0.71073","MoKα","","0.0394","0.0338","","","0.0863","0.0897","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239621","16.8982","0.0005","9.0273","0.0003","9.8405","0.0003","90","","101.552","0.003","90","","1470.71","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C60 H68 N12 O8 S4 -","4","1","SU2738","Durgun, Mustafa; Türkmen, Hasan; Tunç, Tuncay; Hökelek, Tuncer","4-{[4-(Dimethylamino)benzylidene]amino}benzenesulfonamide","Acta Crystallographica Section E","2014","70","6","o726","o727","10.1107/S1600536814012136","","","0.71073","MoKα","","0.0474","0.0401","","","0.1087","0.1163","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239622","7.7513","0.0003","12.9191","0.0005","9.8262","0.0003","90","","94.584","0.002","90","","980.85","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylsulfanyl-5-phenyl-1,2,4-triazine","","- C10 H9 N3 S -","- C10 H9 N3 S -","- C40 H36 N12 S4 -","4","1","RZ5126","Hamri, Salha; Hafid, Abderrafia; Khouili, Mostafa; El Ammari, Lahcen; Ketatni, El Mostafa","3-Methylsulfanyl-5-phenyl-1,2,4-triazine","Acta Crystallographica Section E","2014","70","6","o720","","10.1107/S1600536814011830","","","0.71073","MoKα","","0.0427","0.0374","","","0.104","0.1099","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239623","26.32","0.03","7.0628","0.0015","25.305","0.016","90","","102.24","0.06","90","","4597","6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C208 H208 N16 O64 -","16","4","","Ishikawa, Yoshinobu; Yoshida, Nanako","Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","6","o719","","10.1107/S1600536814011854","","","0.71069","MoKα","","","0.0531","","","","0.1303","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239624","24.8699","0.0018","24.8699","0.0018","5.6603","0.0008","90","","90","","120","","3031.9","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","(3Z)-3-[(Z)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","","- C16 H10.34 N4 O2.17 -","- C16 H10.3333 N4 O2.16667 -","- C144 H93 N36 O19.5 -","9","0.5","","Liu, Yong-Hong; Zhao, Lei; Liu, Ming-Xuan; Lin, Hai; Li, Jing-Jing","(3Z)-3-[(Z)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate","Acta Crystallographica Section E","2014","70","6","o721","","10.1107/S1600536814011805","","","0.71073","MoKα","","0.0467","0.0386","","","0.102","0.1082","","","","","","1.008","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2239625","8.8988","0.0007","9.2993","0.0008","9.4821","0.0005","92.525","0.006","113.034","0.007","93.99","0.007","718.18","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide","","- C15 H17 N3 O S -","- C15 H17 N3 O S -","- C30 H34 N6 O2 S2 -","2","1","BT6981","Anderson, Brian J.; Shalit, Zachary A.; Jasinski, Jerry P.","N-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","6","o732","","10.1107/S1600536814012057","","","1.54184","CuKα","","0.0607","0.0542","","","0.145","0.153","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239626","9.534","0.0001","9.534","0.0001","18.9803","0.0003","90","","90","","120","","1494.11","0.03","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Tetrasodium pentadecamolybdenum nonadecasulfide","","- Mo15 Na4.25 S19 -","- Mo15 Na4.253 S19 -","- Mo30 Na8.506 S38 -","2","0.166667","RU2060","Salloum, D.; Gougeon, P.; Gall, P.","Na~4.25~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2014","70","6","i30","","10.1107/S160053681401201X","","","0.71069","MoKα","","0.0354","0.0304","","","0.0755","0.0787","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239627","15.764","0.005","5.136","0.005","11.028","0.005","90","","90","","90","","892.9","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","1","","Sun, Xian-Shun; Shao, Nan-Qi; Li, Dan-Dan","5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2014","70","6","o724","","10.1107/S1600536814012021","","","0.71069","MoKα","","0.0249","0.0237","","","0.0659","0.0669","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239628","17.6983","0.0006","4.94078","0.00013","14.4603","0.0005","90","","111.236","0.004","90","","1178.6","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Methylphenyl)-N-(1,3-thiazol-2-yl)acetamide","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","HB7232","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","2-(2-Methylphenyl)-N-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2014","70","6","o716","","10.1107/S1600536814011684","","","1.54184","CuKα","","0.0433","0.0401","","","0.1094","0.1134","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239629","8.517","0.002","9.092","0.002","9.622","0.003","93.984","0.007","95.015","0.007","97.587","0.007","733.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis(dicyanamido-κN^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^N^4^:N^4'^}]","","- C28 H24 Co N18 -","- C28 H24 Co N18 -","- C28 H24 Co N18 -","1","0.5","","Zhang, Jixia; Shen, Xiaoping","catena-Poly[[bis(dicyanamido-κN^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^N^4^:N^4'^}]","Acta Crystallographica Section E","2014","70","7","m244","","10.1107/S1600536814012331","","","0.7107","MoKα","","0.0675","0.0486","","","0.1009","0.1105","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239630","6.797","0.005","10.339","0.006","12.11","0.007","113.48","0.005","91.009","0.007","98.906","0.005","768.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate","","- C10 H18 N6 O7 S -","- C10 H18 N6 O7 S -","- C20 H36 N12 O14 S2 -","2","1","BG2531","Soudani, Sarra; Wenger, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate","Acta Crystallographica Section E","2014","70","7","o747","o748","10.1107/S1600536814012513","","","0.71073","MoKα","","0.092","0.0806","","","0.1276","0.1313","","","","","","1.354","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239631","5.6833","0.0003","13.0817","0.0006","16.4001","0.0008","90","","90","","90","","1219.3","0.1","302","2","302","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(E)-3-Chloro-N'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","","- C12 H8 Cl F N2 O S -","- C12 H8 Cl F N2 O S -","- C48 H32 Cl4 F4 N8 O4 S4 -","4","1","CV5453","Sultan, Sadia; Taha, Muhammad; Shah, Syed Adnan Ali; Yamin, Bohari M.; Zaki, Hamizah Mohd","(E)-3-Chloro-N'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2014","70","7","o751","","10.1107/S1600536814011568","","","0.71073","MoKα","","0.0231","0.0225","","","0.0641","0.0647","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239632","14.3341","0.001","16.6498","0.0011","17.0533","0.0011","82.157","0.001","72.859","0.001","71.608","0.001","3686.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Octa-μ~3~-selenido-pentakis(triethylphosphane-κP)(trimethylacetonitrile-κN)-octahedro-hexarhenium(III) bis(hexafluoridoantimonate) trimethylacetonitrile monosolvate","","- C40 H93 F12 N2 P5 Re6 Sb2 Se8 -","- C40 H93 F12 N2 P5 Re6 Sb2 Se8 -","- C80 H186 F24 N4 P10 Re12 Sb4 Se16 -","2","1","","Ren, YiXin; Bruck, Andrea M.; Szczepura, Lisa F.","Octa-μ~3~-selenido-pentakis(triethylphosphane-κP)(trimethylacetonitrile-κN)-octahedro-hexarhenium(III) bis(hexafluoridoantimonate) trimethylacetonitrile monosolvate","Acta Crystallographica Section E","2014","70","7","m242","m243","10.1107/S1600536814011982","","","0.71073","MoKα","","0.0291","0.0237","","","0.0541","0.0559","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239633","13.0495","0.0009","10.8363","0.0006","7.6723","0.0005","90","","91.268","0.004","90","","1084.66","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (2Z)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","BX2458","Hill, Tania N.; Patel, Naadiya","Ethyl (2Z)-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate","Acta Crystallographica Section E","2014","70","7","o750","","10.1107/S1600536814011891","","","0.71073","MoKα","","","0.0465","","","","0.1287","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239634","13.1573","0.0016","27.647","0.003","14.2153","0.0017","90","","107.718","0.0016","90","","4925.7","1","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ~2~-Acetato-κ^2^O:O'-(4,4'-bipyridyl-κN)tris(diethyl dithiophosphato-κ^2^S,S')-μ~3~-sulfido-tri-μ~2~-sulfido-trimolybdenum(V) diethyl ether solvate","","- C28 H51 Mo3 N2 O9 P3 S10 -","- C28 H51 Mo3 N2 O9 P3 S10 -","- C112 H204 Mo12 N8 O36 P12 S40 -","4","1","","Kawamoto, Keisuke; Kinoshita, Isamu","μ~2~-Acetato-κ^2^O:O'-(4,4'-bipyridyl-κN)tris(diethyl dithiophosphato-κ^2^S,S')-μ~3~-sulfido-tri-μ~2~-sulfido-trimolybdenum(IV) diethyl ether monosolvate","Acta Crystallographica Section E","2014","70","7","m240","m241","10.1107/S1600536814012501","","","0.71075","MoKα","","","0.0401","","","","0.0945","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239635","11.3197","0.0004","9.8341","0.0003","13.4207","0.0004","90","","106.387","0.002","90","","1433.29","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-[(2-Aminobenzyl)amino]-1-phenylbut-2-en-1-one","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","SU2735","Sairaj, Vedavalli; Srinivasan, Thothadri; Kandaswamy, Muthusamy; Velmurugan, Devadasan","(Z)-3-[(2-Aminobenzyl)amino]-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2014","70","7","o742","","10.1107/S1600536814012070","","","0.71073","MoKα","","0.083","0.0499","","","0.1349","0.1559","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239636","6.5741","0.0017","6.798","0.003","10.437","0.005","79.03","0.03","86.45","0.03","76","0.03","444.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Iodo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C20 H10 I2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Iodo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o744","","10.1107/S1600536814012471","","","0.71069","MoKα","","","0.0394","","","","0.1035","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239637","6.9436","0.0015","7.1539","0.0017","9.165","0.002","102.049","0.019","103.403","0.017","100.65","0.019","419.89","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","8-Chloro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","8-Chloro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o743","","10.1107/S1600536814012483","","","0.71069","MoKα","","","0.0275","","","","0.0753","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239638","15.5","0.007","4.865","0.002","11.713","0.006","90","","95.371","0.009","90","","879.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene","","- C18 H12 F4 N2 S2 -","- C18 H12 F4 N2 S2 -","- C36 H24 F8 N4 S4 -","2","0.5","","Gao, Ning; Luo, Hai-Kun; Qin, Rui-Rui; He, Ming-Yang","2,3,5,6-Tetrafluoro-1,4-bis({[(thiophen-2-yl)methylidene]amino}methyl)benzene","Acta Crystallographica Section E","2014","70","7","o749","","10.1107/S1600536814012434","","","0.71073","MoKα","","0.032","0.0297","","","0.0861","0.09","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239639","8.0769","0.0012","10.8723","0.0019","12.909","0.003","101.511","0.006","96.399","0.006","109.817","0.005","1025.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tris(μ~2~-acetato-κ^2^O:O')(4-chlorobenzene-1,2-diamine-κN)(μ~3~-hydroxido)dizinc] ethanol monosolvate]","","- C14 H23 Cl N2 O8 Zn2 -","- C14 H23 Cl N2 O8 Zn2 -","- C28 H46 Cl2 N4 O16 Zn4 -","2","1","GG2136","Geiger, David K.; Parsons, Dylan E.","Poly[[tris(μ~2~-acetato-κ^2^O:O')(4-chlorobenzene-1,2-diamine-κN)(μ~3~-hydroxido)dizinc] ethanol monosolvate]","Acta Crystallographica Section E","2014","70","7","m247","m248","10.1107/S1600536814012641","","","0.71073","MoKα","","0.0896","0.0588","","","0.1576","0.1813","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239640","10.2557","0.0014","11.3234","0.0015","23.22","0.003","87.474","0.002","81.501","0.002","89.955","0.002","2664.3","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","(5-n-Butyl-10,20-diisobutylporphyrinato)nickel(II)","","- C32 H36 N4 Ni -","- C32 H36 N4 Ni -","- C128 H144 N16 Ni4 -","4","2","","Senge, Mathias O.; Dahms, Katja","(5-n-Butyl-10,20-diisobutylporphyrinato)nickel(II)","Acta Crystallographica Section E","2014","70","7","m251","","10.1107/S1600536814012884","","","0.71073","MoKα","","0.0603","0.0373","","","0.0922","0.1059","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239641","14.3626","0.0014","11.02","0.0011","9.3467","0.0009","90","","113.522","0.002","90","","1356.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","3149","(η^4^-Cyclooctatetraene)(η^8^-cyclooctatetraene)iodidotantalum(V)","","- C16 H16 I Ta -","- C16 H16 I Ta -","- C64 H64 I4 Ta4 -","4","0.5","LH5707","Verma, Pratik; Sussman, Victor J.; Brennessel, William W.; Ellis, John E.","(η^4^-Cyclooctatetraene)(η^8^-cyclooctatetraene)iodidotantalum(V)","Acta Crystallographica Section E","2014","70","7","m245","m246","10.1107/S1600536814012379","","","0.71073","MoKα","","0.02","0.0173","","","0.0394","0.04","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239642","10.232","0.002","10.872","0.003","16.769","0.004","90","","90","","90","","1865.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C56 H56 Cl8 N16 O32 -","8","1","SU2740","Nguyen, Vu D.; McCormick, Cameron A.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2014","70","7","o756","o757","10.1107/S1600536814012860","","","0.71073","MoKα","","0.0382","0.0344","","","0.0923","0.0968","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239643","10.048","0.002","24.165","0.005","20.978","0.004","90","","92.92","0.03","90","","5087.1","1.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bis[bis(diglyme)sodium] 1,1,2,2-tetraphenylethane-1,2-diide","Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^O,O',O'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide","","- C50 H76 Na2 O12 -","- C50 H76 Na2 O12 -","- C200 H304 Na8 O48 -","4","0.5","","Minyaev, Mikhail E.; Ellis, John E.","Bis{bis[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^O,O',O'']sodium} 1,1,2,2-tetraphenylethane-1,2-diide","Acta Crystallographica Section E","2014","70","7","m249","m250","10.1107/S1600536814012823","","","0.71073","MoKα","","0.0619","0.0478","","","0.1078","0.1151","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239644","5.0164","0.0005","5.2908","0.0004","21.8464","0.0018","92.833","0.006","90.315","0.007","96.222","0.007","575.67","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","ZL2589","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid","Acta Crystallographica Section E","2014","70","7","o752","o753","10.1107/S1600536814012562","","","1.54184","CuKα","","0.053","0.0482","","","0.1275","0.1336","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239645","15.0727","0.0012","5.2947","0.0005","15.539","0.0012","90","","100.916","0.005","90","","1217.66","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinclozolin","3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C48 H36 Cl8 N4 O12 -","4","1","SJ5407","Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Vinclozolin: 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione","Acta Crystallographica Section E","2014","70","7","o754","","10.1107/S1600536814012781","","","0.71073","MoKα","","0.0553","0.0419","","","0.1083","0.1148","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239646","7.729","0.008","8.258","0.008","11.927","0.011","89.172","0.016","83.82","0.03","74.54","0.02","729.4","1.2","296","3","296","3","","","","","","","","4","P -1","-P 1","2","","[μ-(2,6,7-η:3,4,5-η)-Cycloocta-2,4,6-trienone]bis(tricarbonyldiiron)(Fe—Fe)","","- C14 H8 Fe2 O7 -","- C14 H8 Fe2 O7 -","- C28 H16 Fe4 O14 -","2","1","PK2527","Corfield, Peter W. R.","A cyclooctatrienone complex of diiron hexacarbonyl","Acta Crystallographica Section E","2014","70","7","m254","","10.1107/S1600536814012690","","","0.7107","MoKα","","0.0333","0.0273","","","0.0869","0.0906","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239647","15.4576","0.0006","16.0945","0.0009","7.5348","0.0003","90","","90.079","0.004","90","","1874.52","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C64 H72 N40 O16 -","8","2","","Bai, Xiao-Guang; Feng, Chao","Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate","Acta Crystallographica Section E","2014","70","7","o755","","10.1107/S1600536814012380","","","0.71073","MoKα","","0.0784","0.0527","","","0.1411","0.1532","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239648","8.841","0.0003","9.5579","0.0004","9.5875","0.0004","87.169","0.002","88.945","0.002","74.735","0.002","780.61","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","trans-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^N^2^,N^3^]bis(methanol-κO)iron(II) bis(perchlorate)","","- C26 H24 Cl2 Fe N8 O10 S2 -","- C26 H24 Cl2 Fe N8 O10 S2 -","- C26 H24 Cl2 Fe N8 O10 S2 -","1","0.5","LR2128","Kaase, Dominic; Klingele, Julia","trans-Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^N^2^,N^3^]bis(methanol-κO)iron(II) bis(perchlorate)","Acta Crystallographica Section E","2014","70","7","m252","m253","10.1107/S160053681401277X","","","0.71073","MoKα","","0.0325","0.027","","","0.0598","0.0624","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239649","7.6641","0.0002","10.1601","0.0003","8.7797","0.0002","90","","100.975","0.003","90","","671.15","0.03","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraammineplatinum(II) dichloride ammonia tetrasolvate","","- Cl2 H24 N8 Pt -","- Cl2 H24 N8 Pt -","- Cl4 H48 N16 Pt2 -","2","0.5","PK2522","Grassl, Tobias; Korber, Nikolaus","Tetraammineplatinum(II) dichloride ammonia tetrasolvate","Acta Crystallographica Section E Structure Reports Online","2014","70","7","i31","","10.1107/S1600536814012343","","","0.71073","MoKα","","0.0097","0.0087","","","0.0201","0.0205","","","","","","1.115","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239650","7.6856","0.0005","10.1505","0.0007","8.717","0.0006","90","","100.384","0.007","90","","668.9","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetraamminepalladium(II) dichloride ammonia tetrasolvate","","- Cl2 H24 N8 Pd -","- Cl2 H24 N8 Pd -","- Cl4 H48 N16 Pd2 -","2","0.5","PK2523","Grassl, Tobias; Korber, Nikolaus","Tetraamminepalladium(II) dichloride ammonia tetrasolvate","Acta Crystallographica Section E","2014","70","7","i32","","10.1107/S1600536814012355","","","0.71073","MoKα","","0.0338","0.0266","","","0.0537","0.0581","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239651","6.1057","0.0002","12.1389","0.0002","9.2737","0.0002","90","","99.302","0.002","90","","678.3","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Corymbolone","(4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","Corymbolone","Acta Crystallographica Section E","2014","70","7","o758","","10.1107/S1600536814012938","","","1.54184","CuKα","","0.0304","0.0303","","","0.0827","0.0829","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239652","7.9717","0.0001","16.302","0.0002","18.0602","0.0003","90","","91.244","0.001","90","","2346.45","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κP)ruthenium(II) chloroform monosolvate","","- C19 H29 Cl6 P Ru -","- C19 H29 Cl6 P Ru -","- C76 H116 Cl24 P4 Ru4 -","4","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)dichlorido(chlorodicyclohexylphosphane-κP)ruthenium(II) chloroform monosolvate","Acta Crystallographica Section E","2014","70","7","m255","","10.1107/S1600536814012975","","","0.71073","MoKα","","0.025","0.0194","","","0.0453","0.0475","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239653","6.8148","0.0006","11.1115","0.0009","13.8239","0.0015","70.935","0.009","81.42","0.008","75.829","0.007","956.52","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}butan-1-one","","- C22 H25 Cl N2 O -","- C22 H25 Cl N2 O -","- C44 H50 Cl2 N4 O2 -","2","1","CV5461","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}butan-1-one","Acta Crystallographica Section E","2014","70","7","o761","o762","10.1107/S1600536814013063","","","1.54184","CuKα","","0.054","0.0466","","","0.1253","0.1337","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239654","14.9112","0.001","6.1225","0.0003","9.1635","0.0004","90","","90","","90","","836.57","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dimanganese vanadate hydroxide","Dimanganese(II) hydroxide vanadate","","- H Mn2 O5 V -","- H Mn2 O5 V -","- H8 Mn16 O40 V8 -","8","1","","Sun, Kewen; Möller, Angela","Dimanganese(II) hydroxide vanadate, Mn~2~(OH)[VO~4~]","Acta Crystallographica Section E","2014","70","7","i33","","10.1107/S1600536814012926","","","0.71075","MoKα","","0.0494","0.0449","","","0.0613","0.0621","","","","","","1.356","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239655","6.6042","0.0003","10.1188","0.0009","14.4806","0.0012","98.444","0.007","90.65","0.006","106.542","0.006","916.14","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one","","- C21 H23 Cl N2 O -","- C21 H23 Cl N2 O -","- C42 H46 Cl2 N4 O2 -","2","1","IS5364","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one","Acta Crystallographica Section E","2014","70","7","o763","o764","10.1107/S1600536814013075","","","1.54184","CuKα","","0.0511","0.0474","","","0.1283","0.1334","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239656","8.3301","0.001","26.07","0.004","12.0441","0.0014","90","","94.496","0.006","90","","2607.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone","","- C30 H25 N3 O5 -","- C30 H25 N3 O5 -","- C120 H100 N12 O20 -","4","1","","Subramanyahegde; Amar, Hosamani; Shivaraj, Yellappa; Vijayakumar, Giriyapura R.; Palakshamurthy, Bandrehalli Siddagangaiah","5'-([1,1'-Biphenyl]-4-yl)-1',1'',3''-trimethyldispiro[indane-2,2'-pyrrolidine-4',5''-[1,3]diazinane]-1,3,2'',4'',6''-pentaone","Acta Crystallographica Section E","2014","70","7","o759","","10.1107/S1600536814013117","","","0.71073","MoKα","","0.0727","0.0498","","","0.1213","0.1302","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239657","10.2044","0.0004","11.1242","0.0004","11.3901","0.0004","70.685","0.002","83.398","0.002","63.05","0.003","1086.73","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^N)antimony(V) hexachloridoantimonate(V)","","- C44 H28 Cl8 N4 Sb2 -","- C44 H28 Cl8 N4 Sb2 -","- C44 H28 Cl8 N4 Sb2 -","1","0.5","","Soury, Raoudha; Belkhiria, Mohamed Salah; Giorgi, Michel; Nasri, Habib","Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^N)antimony(V) hexachloridoantimonate(V)","Acta Crystallographica Section E","2014","70","7","m256","m257","10.1107/S1600536814012653","","","0.71073","MoKα","","0.0692","0.0651","","","0.1693","0.1726","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239658","32.873","0.002","5.7137","0.0007","7.9177","0.0009","90","","91.143","0.008","90","","1486.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tripotassium iron(III) bis(orthomolybdate) dimolybdate","","- Fe K3 Mo4 O15 -","- Fe K3 Mo4 O15 -","- Fe4 K12 Mo16 O60 -","4","0.5","WM5025","Souilem, Amira; Zid, Mohamed Faouzi; Driss, Ahmed","β-K~3~Fe(MoO~4~)~2~Mo~2~O~7~","Acta Crystallographica Section E","2014","70","7","i38","","10.1107/S1600536814013087","","","0.71073","MoKα","","0.0332","0.0291","","","0.0738","0.0764","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239659","10.9002","0.0009","10.9002","0.0009","10.9002","0.0009","90","","90","","90","","1295.1","0.19","298","2","298","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Dirubidium dimanganese(II) tris(tetraoxomolybdate)","","- Mn2 Mo3 O12 Rb2 -","- Mn2 Mo3 O12 Rb2 -","- Mn8 Mo12 O48 Rb8 -","4","0.333333","RU2059","Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed; Souilem, Amira","Non-centrosymmetric Rb~2~Mn~2~(MoO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i36","i37","10.1107/S1600536814013099","","","0.71073","MoKα","","0.0428","0.0354","","","0.0765","0.079","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239660","6.8205","0.0014","8.9062","0.0018","4.6937","0.0011","90","","101.78","0.02","90","","279.11","0.11","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dithulium disilicate","","- O7 Si2 Tm2 -","- O7 Si2 Tm2 -","- O14 Si4 Tm4 -","2","0.25","WM5029","Kahlenberg, Volker; Aichholzer, Paul","Thortveitite-type Tm~2~Si~2~O~7~","Acta Crystallographica Section E","2014","70","7","i34","i35","10.1107/S1600536814013142","","","0.71073","MoKα","","0.0188","0.018","","","0.045","0.0454","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239661","4.9128","0.0006","25.137","0.004","12.295","0.0016","90","","96.513","0.004","90","","1508.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","SJ5412","Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali","(E)-N'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate","Acta Crystallographica Section E","2014","70","7","o793","o794","10.1107/S1600536814013798","","","0.71073","MoKα","","0.0899","0.0483","","","0.1178","0.1405","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239662","17.2493","0.0012","9.6046","0.0005","27.7664","0.0017","90","","90","","90","","4600.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(R,S)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'H-spiro[indoline-3,4'-pyrano[3,2-c][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","","- C23 H21 N5 O5 S -","- C23 H21 N5 O5 S -","- C184 H168 N40 O40 S8 -","8","1","KP2471","Shishkina, Svitlana V.; Ukrainets, Igor V.; Petrushova, Lidiya A.","(R,S)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'H-spiro[indoline-3,4'-pyrano[3,2-c][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","7","o786","o787","10.1107/S1600536814013634","","","0.71073","MoKα","","0.1483","0.0717","","","0.1661","0.1943","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239663","10.6606","0.0003","11.0902","0.0003","13.423","0.0004","100.518","0.002","105.863","0.002","100.848","0.002","1452.55","0.08","273","2","273","2","","","","","","","","6","P -1","-P 1","2","pyrazole","2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate","","- C29 H24 Cl3 F3 N4 S -","- C29 H24 Cl3 F3 N4 S -","- C58 H48 Cl6 F6 N8 S2 -","2","1","ZQ2224","Flores, Alex Fabiani Claro; Flores, Darlene Correia; de Vicenti, Juliano Rosa; Campos, Patrick Teixeira","2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate","Acta Crystallographica Section E","2014","70","7","o789","o790","10.1107/S160053681401321X","","","0.71073","MoKα","","0.0902","0.0684","","","0.2241","0.2419","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239664","15.5482","0.0009","14.7033","0.0007","12.1907","0.0006","90","","101.856","0.002","90","","2727.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one","","- C22 H18 Br N5 O4 -","- C22 H18 Br N5 O4 -","- C88 H72 Br4 N20 O16 -","4","1","TK5316","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvate","Acta Crystallographica Section E","2014","70","7","o816","o817","10.1107/S1600536814014391","","","0.71073","MoKα","","0.0622","0.0404","","","0.1079","0.114","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239665","10.3434","0.0008","5.3355","0.0003","24.4948","0.0018","90","","91.171","0.003","90","","1351.52","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","SJ5409","Haress, Nadia G.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2014","70","7","o768","o769","10.1107/S1600536814013269","","","0.71073","MoKα","","0.1009","0.0627","","","0.1231","0.1342","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239666","6.2782","0.0004","8.3251","0.0005","21.3244","0.0012","96.462","0.005","92.026","0.005","95.39","0.005","1101.39","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","2","BT6983","Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.","4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid","Acta Crystallographica Section E","2014","70","7","o779","o780","10.1107/S1600536814012872","","","1.54184","CuKα","","0.0844","0.0756","","","0.2157","0.2273","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239667","7.3431","0.0003","10.6075","0.0004","13.8449","0.0006","85.762","0.003","88.124","0.003","73.53","0.002","1031.25","0.07","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","","Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C50 H54 N2 O8 -","2","1","ZL2590","Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.","Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2014","70","7","o791","o792","10.1107/S1600536814013294","","","0.71073","MoKα","","0.1155","0.0621","","","0.1267","0.1491","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239668","10.5992","0.0002","16.1201","0.0003","17.3449","0.0002","90","","100.879","0.001","90","","2910.29","0.08","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ^2^N,N')rhenium(I) hexafluoridophosphate acetonitrile monosolvate","","- C29 H23 F6 N5 O3 P Re -","- C29 H23 F6 N5 O3 P Re -","- C116 H92 F24 N20 O12 P4 Re4 -","4","1","CV5465","Guilardi, Silvana; Patrocinio, Antonio Otavio Toledo; de Sousa, Sinval Fernandes; Ellena, Javier","fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ^2^N,N')rhenium(I) hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","7","m278","m279","10.1107/S1600536814014135","","","0.71073","MoKα","","0.0457","0.0406","","","","0.1089","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239669","6.0141","0.0005","7.8839","0.0008","13.5992","0.0014","90","","94.442","0.006","90","","642.86","0.11","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[4-(Allyloxy)phenyl](phenyl)methanone","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","LD2129","D'Vries, Richard F.; Grande, Carlos D.; Chaur, Manuel N.; Ellena, Javier A.; Advincula, Rigoberto C.","[4-(Allyloxy)phenyl](phenyl)methanone","Acta Crystallographica Section E","2014","70","7","o814","o815","10.1107/S1600536814014342","","","0.71073","MoKα","","0.0916","0.0487","","","0.1106","0.1325","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239670","25.397","0.005","14.6","0.003","25.51","0.005","90","","90","","90","","9459","3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis[trans-difluoridotetrakis(pyridine-κN)chromium(III)] sodium tetrachloridozincate perchlorate","","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C320 H320 Cl40 Cr16 F32 N64 Na8 O32 Zn8 -","8","1","","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Bis[trans-difluoridotetrakis(pyridine-κN)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data","Acta Crystallographica Section E","2014","70","7","m280","","10.1107/S1600536814014408","","","0.62998","synchrotron","","0.0492","0.0471","","","0.1341","0.1361","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239671","7.8869","0.0002","11.0042","0.0002","17.5181","0.0004","90","","90","","90","","1520.38","0.06","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O2 S -","- C72 H68 F4 O8 S4 -","4","1","CV5468","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o830","","10.1107/S1600536814014822","","","0.71073","MoKα","","0.0436","0.0383","","","0.0912","0.0941","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239672","8.8198","0.0007","9.0245","0.0007","12.3533","0.0007","90","","127.224","0.004","90","","782.94","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^O,N,O'}iron(II)","","- C12 H24 Fe N2 O10 -","- C12 H24 Fe N2 O10 -","- C24 H48 Fe2 N4 O20 -","2","0.5","","Jiang, Ning; Hou, Juan-Juan","Bis{N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^O,N,O'}iron(II)","Acta Crystallographica Section E","2014","70","7","m274","","10.1107/S160053681401397X","","","0.71073","MoKα","","0.0726","0.0457","","","0.0843","0.0993","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239673","22.173","0.0004","15.1385","0.0003","23.6954","0.0005","90","","90","","90","","7953.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(carbonato-κ^2^O,O')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κP]ruthenium(II) chloroform trisolvate","","- C33 H40 Cl9 O3 P Ru -","- C31 H38 Cl3 O3 P Ru -","- C248 H304 Cl24 O24 P8 Ru8 -","8","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)(carbonato-κ^2^O,O')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κP]ruthenium(II) chloroform trisolvate","Acta Crystallographica Section E","2014","70","7","m272","m273","10.1107/S1600536814014081","","","1.54178","CuKα","","0.0479","0.0409","","","0.1058","0.1095","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239674","8.6184","0.0002","16.8358","0.0004","9.4019","0.0002","90","","111.254","0.001","90","","1271.4","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 F2 O2 S -","- C15 H10 F2 O2 S -","- C60 H40 F8 O8 S4 -","4","1","BT6985","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o829","","10.1107/S1600536814014810","","","0.71073","MoKα","","0.0452","0.0375","","","0.0949","0.0998","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239675","8.9245","0.0012","10.6597","0.0015","11.3727","0.0015","96.614","0.002","100.601","0.002","114.325","0.002","946.8","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","Diaquatris(4-oxopent-2-en-2-olato-κ^2^O,O')lanthanum(III)","","- C15 H25 La O8 -","- C15 H25 La O8 -","- C30 H50 La2 O16 -","2","1","HB7216","Okawara, Toru; Ishihama, Kohei; Takehara, Kenji","Redetermination of diaquatris(4-oxopent-2-en-2-olato-κ^2^O,O')lanthanum(III)","Acta Crystallographica Section E","2014","70","7","m258","m259","10.1107/S1600536814013336","","","0.71073","MoKα","","0.0228","0.0222","","","0.0579","0.0583","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239676","8.5204","0.0003","7.8742","0.0003","14.1844","0.0005","90","","105.804","0.001","90","","915.68","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(tert-Butyl)(2-hydroxyethyl)ammonium chloride","","- C6 H16 Cl N O -","- C6 H16 Cl N O -","- C24 H64 Cl4 N4 O4 -","4","1","GW2144","Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Morales-Morales, David","(tert-Butyl)(2-hydroxyethyl)ammonium chloride","Acta Crystallographica Section E","2014","70","7","o783","","10.1107/S1600536814012847","","","0.71073","MoKα","","0.081","0.0457","","","0.107","0.1235","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239677","11.149","0.002","15.753","0.003","18.905","0.004","90","","92.5","0.03","90","","3317.1","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(morpholine-κN)copper(II)] methanol disolvate","","- C18 H44 Cl6 Cu4 N4 O7 -","- C18 H44 Cl6 Cu4 N4 O7 -","- C72 H176 Cl24 Cu16 N16 O28 -","4","1","HB7241","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladimir","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis[(morpholine-κN)copper(II)] methanol disolvate","Acta Crystallographica Section E","2014","70","7","m276","m277","10.1107/S160053681401407X","","","0.71073","MoKα","","0.0932","0.0541","","","0.0804","0.0924","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239678","6.6537","0.0013","8.0998","0.0015","20.179","0.004","90","","90","","90","","1087.5","0.4","188","2","188","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[guanidinium [tri-μ-formato-κ^6^O:O'-formato-κ^2^O,O'-yttrium(III)]]","","- C5 H10 N3 O8 Y -","- C5 H10 N3 O8 Y -","- C20 H40 N12 O32 Y4 -","4","1","BV2234","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Nenoff, Tina M.","Poly[guanidinium [tri-μ-formato-κ^6^O:O'-formato-κ^2^O,O'-yttrium(III)]]","Acta Crystallographica Section E","2014","70","7","m261","m262","10.1107/S1600536814013440","","","0.71073","MoKα","","0.0206","0.017","","","0.0355","0.0364","","","","","","0.921","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239679","34.4327","0.0013","9.4152","0.0002","17.1092","0.0007","90","","118.312","0.005","90","","4883.1","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide","","- C27 H29 Br N4 O -","- C27 H29 Br N4 O -","- C216 H232 Br8 N32 O8 -","8","1","JJ2190","Prasad, Poonam Rajesh; Das, Shikha; Singh, Harkesh B.; Butcher, Ray J.","2-Bromo-5-tert-butyl-N-methyl-N-[2-(methylamino)phenyl]-3-(1-methyl-1H-benzimidazol-2-yl)benzamide","Acta Crystallographica Section E","2014","70","7","o822","o823","10.1107/S1600536814014433","","","1.54184","CuKα","","0.0442","0.034","","","0.0858","0.0932","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239680","29.5408","0.0007","4.0795","0.0001","14.3164","0.0003","90","","111.712","0.003","90","","1602.89","0.07","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(pyrazine-2-carboxamide-κN^4^)copper(I)]-μ~3~-iodido]","","- C5 H5 Cu I N3 O -","- C5 H5 Cu I N3 O -","- C40 H40 Cu8 I8 N24 O8 -","8","1","VN2084","Krivosudský, Lukáš; Rakovský, Erik","catena-Poly[[(pyrazine-2-carboxamide-κN^4^)copper(I)]-μ~3~-iodido]","Acta Crystallographica Section E","2014","70","7","m267","m268","10.1107/S1600536814013695","","","0.71073","MoKα","","0.0283","0.021","","0.0421","0.0407","0.0421","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239681","9.0437","0.0003","13.2792","0.0006","9.8199","0.0005","90","","104.694","0.003","90","","1140.73","0.09","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4R)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4H)-one","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","JJ2187","Heinemann, Frank W.; Herrera, Alberto; Agrifoglio, Giuseppe; Dorta, Romano; Pastrán, Jesús","(4R)-3-Hydroxy-7-isopropyl-4-methyl-5,6-dihydrobenzofuran-2(4H)-one","Acta Crystallographica Section E","2014","70","7","o824","","10.1107/S1600536814014524","","","0.71073","MoKα","","0.0432","0.037","","","0.0977","0.1034","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239682","12.8656","0.0002","17.9807","0.0003","10.1671","0.0002","90","","102.655","0.001","90","","2294.84","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diafenthiuron","1-tert-Butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea","","- C23 H32 N2 O S -","- C23 H32 N2 O S -","- C92 H128 N8 O4 S4 -","4","1","SJ5414","Jeon, Youngeun; Kang, Gihaeng; Cho, Seonghwa; Kim, Tae Ho","Diafenthiuron: 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea","Acta Crystallographica Section E","2014","70","7","o807","","10.1107/S1600536814014214","","","0.71073","MoKα","","0.0601","0.0451","","","0.1096","0.1193","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239683","10.5832","0.0002","7.9509","0.0002","28.9259","0.0005","90","","90","","90","","2434","0.09","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Rocha, Fillipe Vieira; de Godoy Netto, Adelino Vieira; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","N-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","7","o800","","10.1107/S1600536814013889","","","0.71073","MoKα","","0.0382","0.0309","","","0.0756","0.0799","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239684","13.6113","0.0005","10.6431","0.0004","26.4365","0.001","90","","96.068","0.001","90","","3808.3","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(N-Phenylthiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate","","- C43 H38 Ag N3 O3 P2 S -","- C43 H38 Ag N3 O3 P2 S -","- C172 H152 Ag4 N12 O12 P8 S4 -","4","1","","Mekarat, Sofia; Pakawatchai, Chaveng; Saithong, Saowanit","(N-Phenylthiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate","Acta Crystallographica Section E","2014","70","7","m281","m282","10.1107/S1600536814014147","","","0.71073","MoKα","","0.0325","0.0276","","","0.0621","0.0642","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239685","5.725","0.003","32.57","0.03","4.706","0.004","90","","90","","90","","877.5","1.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H4 Cl F O3 -","- C10 H4 Cl F O3 -","- C40 H16 Cl4 F4 O12 -","4","1","","Ishikawa, Yoshinobu","6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o825","","10.1107/S1600536814014706","","","0.71069","MoKα","","","0.0265","","","","0.0735","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239686","13.8505","0.0004","16.2486","0.0004","15.2586","0.0004","90","","118.923","0.002","90","","3005.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridinium) dichromate(VI)","","- C10 H14 Cr2 N4 O7 -","- C10 H14 Cr2 N4 O7 -","- C80 H112 Cr16 N32 O56 -","8","2","BH2500","Trabelsi, Sonia; Roisnel, Thierry; Dhaouadi, Hassouna; Marouani, Houda","Bis(4-aminopyridinium) dichromate(VI)","Acta Crystallographica Section E","2014","70","7","m263","m264","10.1107/S1600536814013579","","","0.71073","MoKα","","0.0469","0.0349","","","0.0914","0.0966","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239687","15.663","0.005","5.063","0.003","16.8","0.005","90","","93.124","0.005","90","","1330.3","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N^1^-[(1H-Imidazol-2-yl)methylidene]-N^4^-phenylbenzene-1,4-diamine","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","GG2140","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Shahid, M.; Ahmad, Musheer","N^1^-[(1H-Imidazol-2-yl)methylidene]-N^4^-phenylbenzene-1,4-diamine","Acta Crystallographica Section E","2014","70","7","o806","","10.1107/S1600536814014238","","","0.71073","MoKα","","0.0701","0.0439","","","0.0994","0.1101","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239688","21.698","0.0017","11.077","0.0019","17.515","0.003","90","","104.535","0.002","90","","4075","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","","- C22 H19 Cl2 N O3 -","- C22 H19 Cl2 N O3 -","- C176 H152 Cl16 N8 O24 -","8","1","LR2127","Zhang, Dawei; Yang, Peng; Liu, Wei; Li, Jing","Ethyl 2,6-bis(4-chlorophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","Acta Crystallographica Section E","2014","70","7","o802","","10.1107/S160053681401383X","","","0.71069","MoKα","","0.0634","0.0411","","","0.1026","0.1173","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239689","11.0772","0.0003","16.9999","0.0002","11.6843","0.0003","90","","103.628","0.001","90","","2138.34","0.08","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(dimethyl sulfoxide-κO)tetrakis(thiocyanato-κN)dicobalt(II)]","","- C38 H36 Co2 N10 O2 S6 -","- C38 H36 Co2 N10 O2 S6 -","- C76 H72 Co4 N20 O4 S12 -","2","0.5","IS5365","Kaenket, Surasak; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Youngme, Sujittra","Poly[tris(μ-4,4'-bipyridine-κ^2^N:N')bis(dimethyl sulfoxide-κO)tetrakis(thiocyanato-κN)dicobalt(II)]","Acta Crystallographica Section E","2014","70","7","m265","m266","10.1107/S1600536814013555","","","0.71073","MoKα","","0.0726","0.0431","","","0.0966","0.1086","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239690","4.826","0.002","7.919","0.003","23.06","0.008","90","","90","","90","","881.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethylquinazolin-4(3H)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Saitkulov, Fozil E.; Tashniyazov, Azamat A.; Mamadrahimov, Azimjon A.; Shakhidoyatov, Kh. M.","2,3-Dimethylquinazolin-4(3H)-one","Acta Crystallographica Section E","2014","70","7","o788","","10.1107/S1600536814013749","","","1.54184","CuKα","","0.1183","0.0714","","","0.1839","0.2299","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239691","7.6228","0.0013","10.809","0.003","11.26","0.002","116.339","0.014","94.258","0.014","96.19","0.016","818.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methoxy-N'-[(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C38 H36 N4 O10 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(E)-4-Methoxy-N'-[(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","7","o784","","10.1107/S1600536814013713","","","0.71069","MoKα","","","0.0359","","","","0.1041","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239692","3.9699","0.001","19.437","0.005","15.402","0.004","90","","90.908","0.003","90","","1188.3","0.5","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone","","- C11 H9 Br2 N3 O -","- C11 H9 Br2 N3 O -","- C44 H36 Br8 N12 O4 -","4","2","CV5467","Bunev, Alexander S.; Troshina, Marina A.; Ostapenko, Gennady I.; Pavlova, Andzhela P.; Khrustalev, Victor N.","2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone","Acta Crystallographica Section E","2014","70","7","o818","","10.1107/S1600536814014603","","","0.71073","MoKα","","0.0308","0.0282","","","0.0665","0.0673","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239693","9.4272","0.0005","18.8525","0.0008","12.4345","0.0006","90","","95.443","0.004","90","","2199.97","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","","- C25 H21 N3 O5 -","- C25 H21 N3 O5 -","- C100 H84 N12 O20 -","4","1","SJ5411","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Özdemir, Namık","1-(Morpholin-4-yl)-4-(2-nitrophenyl)spiro[azetidine-3,9'-xanthen]-2-one","Acta Crystallographica Section E","2014","70","7","o772","o773","10.1107/S1600536814013464","","","0.71073","MoKα","","0.0799","0.0446","","","0.0886","0.0975","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239694","9.8039","0.0002","10.4453","0.0002","10.6765","0.0002","62.208","0.001","66.009","0.001","68.15","0.001","860.8","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","1","","Prathebha, K.; Reuben Jonathan, D.; Shanmugam, Sathya; Usha, G.","N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide","Acta Crystallographica Section E","2014","70","7","o771","","10.1107/S1600536814012793","","","0.71073","MoKα","","0.0509","0.0429","","","0.1165","0.1245","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239695","8.4772","0.0015","11.18","0.002","19.766","0.004","77.864","0.003","82.777","0.003","74.879","0.003","1763.1","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea","","- C10 H17 N3 S -","- C10 H17 N3 S -","- C60 H102 N18 S6 -","6","3","GK2613","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","1-[(Cyclohexylidene)amino]-3-(prop-2-en-1-yl)thiourea","Acta Crystallographica Section E","2014","70","7","o827","o828","10.1107/S1600536814014834","","","0.71073","MoKα","","0.1167","0.0718","","","0.1783","0.2165","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239696","7.4461","0.0001","11.0289","0.0002","33.7892","0.0006","90","","90.579","0.002","90","","2774.7","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","4","","Burrett, Stacey; Taylor, Dennis K.; Tiekink, Edward R. T.","2-[(3S,3aS,5R,8S,8aS)-3,8-Dimethylhexahydro-1H,4H-3a,8a-epoxyazulen-5-yl]propan-2-ol","Acta Crystallographica Section E","2014","70","7","o776","o777","10.1107/S1600536814013543","","","1.54184","CuKα","","0.1039","0.1021","","","0.2759","0.278","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239697","6.4836","0.0006","9.6524","0.0009","14.439","0.001","81.178","0.007","89.72","0.007","77.488","0.008","871.35","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone","","- C20 H21 Cl N2 O -","- C20 H21 Cl N2 O -","- C40 H42 Cl2 N4 O2 -","2","1","HB7234","Narayana, B.; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone","Acta Crystallographica Section E","2014","70","7","o781","","10.1107/S1600536814013348","","","1.54184","CuKα","","0.0564","0.0486","","","0.132","0.1415","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239698","7.9185","0.0007","8.6737","0.001","12.8952","0.0014","90","","101.629","0.001","90","","867.5","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)","","- C6 H10 Cl6 N4 S2 Sn -","- C6 H10 Cl6 N4 S2 Sn -","- C12 H20 Cl12 N8 S4 Sn2 -","2","0.5","CV5462","Xue, Ruiting; Kong, Lingmin","Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)","Acta Crystallographica Section E","2014","70","7","m269","","10.1107/S1600536814014032","","","0.71073","MoKα","","0.0359","0.0289","","","0.074","0.0815","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239699","6.8911","0.0008","8.4435","0.001","8.6248","0.001","81.458","0.001","85.883","0.001","80.31","0.001","488.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Diazald","N-Methyl-N-nitroso-p-toluenesulfonamide","","- C8 H10 N2 O3 S -","- C8 H10 N2 O3 S -","- C16 H20 N4 O6 S2 -","2","1","FJ2674","Rai, Kartik; Wu, Vincent; Gupta, Priya; Laviska, David A.; Chan, Benny C.","N-Methyl-N-nitroso-p-toluenesulfonamide","Acta Crystallographica Section E","2014","70","7","o782","","10.1107/S1600536814013518","","","0.71073","MoKα","","0.0462","0.0374","","","0.0914","0.0962","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239700","15.6933","0.0009","9.2655","0.0003","19.1321","0.001","90","","112.654","0.006","90","","2567.3","0.2","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(18-Crown-6)potassium(I) diphenylstibate(-1)","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium diphenylstibide","","- C24 H34 K O6 Sb -","- C24 H34 K O6 Sb -","- C96 H136 K4 O24 Sb4 -","4","0.5","FF2129","Kaas, Marina; Friedrich, Ute; Korber, Nikolaus","(18-Crown-6)potassium(I) diphenylstibate({-}1)","Acta Crystallographica Section E","2014","70","7","m260","","10.1107/S1600536814013282","","","0.71073","MoKα","","0.0293","0.0232","","","0.0489","0.0534","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239701","3.824","0.006","6.111","0.009","19.962","0.01","81.83","0.07","88.82","0.07","87.04","0.12","461.1","1","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde","","- C11 H7 Cl O3 -","- C11 H7 Cl O3 -","- C22 H14 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o804","","10.1107/S1600536814014226","","","0.71069","MoKα","","","0.0339","","","","0.0943","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239702","15.666","0.002","11.4885","0.0016","9.7829","0.0014","90","","97.436","0.004","90","","1745.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-N-(3,5-di-tert-butylphenyl)propanamide","","- C17 H26 Br N O -","- C17 H26 Br N O -","- C68 H104 Br4 N4 O4 -","4","1","","Abo-Amer, Anwar; Al-Refai, Mahmoud; Puddephatt, Richard J.; Ali, Basem F.","3-Bromo-N-(3,5-di-tert-butylphenyl)propanamide","Acta Crystallographica Section E","2014","70","7","o770","","10.1107/S1600536814012094","","","0.71073","MoKα","","0.0874","0.0503","","","0.1256","0.145","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239703","16.9485","0.0017","11.0619","0.0011","6.8127","0.001","90","","90","","90","","1277.3","0.3","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C60 H40 Br8 -","4","0.25","CV5463","Xue, Yue-yuan; Qin, Yong-qi","2',7'-Dibromospiro[cyclopropane-1,9'-fluorene]","Acta Crystallographica Section E","2014","70","7","o821","","10.1107/S1600536814014585","","","0.71073","MoKα","","0.0536","0.0386","","","0.0952","0.1002","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239704","6.9117","0.0006","7.0898","0.0006","21.4784","0.0016","90","","90","","90","","1052.5","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-EDOT-aniline","4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","LH5708","Mitchell, Lauren A.; Holliday, Bradley J.","4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline","Acta Crystallographica Section E","2014","70","7","o803","","10.1107/S1600536814014093","","","0.71075","MoKα","","0.0293","0.0286","","","0.0748","0.0752","","","","","","0.864","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239705","8.149","0.0007","7.7338","0.0007","14.5297","0.0013","90","","97.522","0.001","90","","907.82","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyano-N-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C28 H28 Cl4 N8 O16 -","4","1","HB7237","McCormick, Cameron A.; Nguyen, Vu D.; Koplitz, Lynn V.; Mague, Joel T.","3-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2014","70","7","o811","","10.1107/S1600536814014421","","","0.71073","MoKα","","0.0342","0.0319","","","0.0862","0.0885","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239706","9.1807","0.0008","14.5892","0.0012","13.1649","0.001","90","","108.925","0.002","90","","1668","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(Pyridin-2-yl)amino]pyridinium 2,4,6-trinitrophenolate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Ohui, Kateryna A.; Golenya, Irina A.; Bokach, Nadezhda A.","2-[(Pyridin-2-yl)amino]pyridinium 2,4,6-trinitrophenolate","Acta Crystallographica Section E","2014","70","7","o778","","10.1107/S1600536814012835","","","0.71073","MoKα","","0.0562","0.0434","","","0.0964","0.1024","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239707","30.9001","0.0003","9.9442","0.0005","18.526","0.0003","90","","124.962","0.003","90","","4665.3","0.3","150","1","150","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine","","- C25 H41 N3 -","- C25 H41 N3 -","- C200 H328 N24 -","8","1","KP2469","Chlupatý, Tomáš; Padělková, Zdeňka","2-[2,6-Bis(propan-2-yl)phenyl]-1,3-dicyclohexylguanidine","Acta Crystallographica Section E","2014","70","7","o785","","10.1107/S1600536814011611","","","0.71073","MoKα","","0.1207","0.0599","","","0.1103","0.1365","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239708","9.6622","0.0006","9.6622","0.0006","9.38","0.001","90","","90","","90","","875.7","0.12","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Tetrapotassium tetra[nickel(II)/iron(III)] pentakis(orthophosphate)","","- Fe3.19 K3.84 Ni0.78 O20 P5 -","- Fe3.196 K3.84 Ni0.784 O20 P5 -","- Fe6.392 K7.68 Ni1.568 O40 P10 -","2","0.25","WM5027","Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Livitska, Oksana V.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.","The solid solution K~3.84~Ni~0.78~Fe~3.19~(PO~4~)~5~","Acta Crystallographica Section E","2014","70","7","i39","i40","10.1107/S1600536814013609","","","0.71073","MoKα","","0.0455","0.0398","","","","0.0954","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239709","10.15724","0.00013","10.15724","0.00013","10.15724","0.00013","90","","90","","90","","1047.92","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Dipotassium [nickel(II) zirconium(IV)] tris(orthophosphate)","","- K2 Ni0.5 O12 P3 Zr1.5 -","- K2 Ni0.5 O12 P3 Zr1.5 -","- K8 Ni2 O48 P12 Zr6 -","4","0.333333","WM5021","Zatovsky, Igor V.","Rietveld refinement of the langbeinite-type mixed-metal phosphate K~2~Ni~0.5~Zr~1.5~(PO~4~)~3~","Acta Crystallographica Section E","2014","70","7","i41","","10.1107/S1600536814013658","powder diffraction","","1.54187","CuKα","","0.035","","","","","","","","3.97","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239710","7.6407","0.0004","10.515","0.0005","12.3434","0.0005","67.1806","0.0013","72.9688","0.0013","70.0695","0.0014","844.42","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione","","- C19 H23 N3 S -","- C19 H23 N3 S -","- C38 H46 N6 S2 -","2","1","SJ5408","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","7","o766","o767","10.1107/S1600536814013257","","","0.71073","MoKα","","0.05","0.0461","","","0.1231","0.1266","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239711","8.0028","0.001","14.249","0.002","15.076","0.002","104.631","0.008","99.915","0.006","104.237","0.006","1561.2","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid","","- C17 H12 F3 N O4 S -","- C17 H12 F3 N O4 S -","- C68 H48 F12 N4 O16 S4 -","4","2","","Zhu, Shaojuan; Parveen, Shagufta; Zhu, Changjin","2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid","Acta Crystallographica Section E","2014","70","7","o775","","10.1107/S1600536814013245","","","0.71073","MoKα","","0.0532","0.0421","","","0.1059","0.1141","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239712","14.761","0.006","14.761","0.006","7.17","0.003","90","","90","","90","","1562.3","1.1","150","2","150","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","catena-Poly[[trans-bis(1,3-benzothiazole-κN)manganese(II)]-di-μ-chlorido]","","- C14 H10 Cl2 Mn N2 S2 -","- C14 H10 Cl2 Mn N2 S2 -","- C56 H40 Cl8 Mn4 N8 S8 -","4","0.25","LH5716","Bouchareb, Hasna; Benmebarek, Sabrina; Bouacida, Sofiane; Merazig, Hocine; Boudraa, Mhamed","catena-Poly[[trans-bis(1,3-benzothiazole-κN)manganese(II)]-di-μ-chlorido]","Acta Crystallographica Section E","2014","70","7","m275","","10.1107/S1600536814014159","","","0.71073","MoKα","","0.065","0.0422","","","0.0843","0.0917","","","","","","1.14","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239713","6.6643","0.0012","8.395","0.005","14.247","0.004","90","","97.865","0.016","90","","789.6","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Ishikawa, Yoshinobu","8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o774","","10.1107/S1600536814013208","","","0.71069","MoKα","","","0.0384","","","","0.1094","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239714","14.6846","0.0006","10.3997","0.0004","13.1961","0.0004","90","","103.501","0.004","90","","1959.56","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-{4-[Bis(4-bromophenyl)amino]benzylidene}malononitrile","2-{4-[Bis(4-bromophenyl)amino]benzylidene}propanedinitrile","","- C22 H13 Br2 N3 -","- C22 H13 Br2 N3 -","- C88 H52 Br8 N12 -","4","1","","Zhang, Yu-Jian; Ni, Sheng-Liang","2-{4-[Bis(4-bromophenyl)amino]benzylidene}malononitrile","Acta Crystallographica Section E","2014","70","7","o798","","10.1107/S1600536814013816","","","0.71073","MoKα","","0.0691","0.0406","","","0.0815","0.0939","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239715","5.0202","0.0003","25.0471","0.0012","12.243","0.0006","90","","100.34","0.002","90","","1514.45","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","FF2130","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-3-ethylsulfinyl-2-(4-methylphenyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","7","o808","","10.1107/S1600536814014470","","","0.71073","MoKα","","0.0674","0.0522","","","0.1296","0.139","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239716","8.3893","0.0004","8.4679","0.0005","10.2571","0.0006","93.148","0.004","112.478","0.003","93.929","0.003","669.12","0.07","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile","","- C14 H12 Cl N5 -","- C14 H12 Cl N5 -","- C28 H24 Cl2 N10 -","2","1","HB7240","Purushothaman, Michael; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Silambarasan, Sekar; Razak, Ibrahim Abdul; Ali, Kather Mohideen Sithick","2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2014","70","7","o812","o813","10.1107/S1600536814014354","","","0.71073","MoKα","","0.088","0.0722","","","0.1954","0.2069","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239717","4.483","0.004","12.151","0.009","18.958","0.013","75.807","0.018","87.67","0.03","89.62","0.02","1000.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-Bromo-N-(6-bromopyridin-2-yl)-N-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]pyridin-2-amine","","- C22 H15 Br2 N3 O2 S -","- C22 H15 Br2 N3 O2 S -","- C44 H30 Br4 N6 O4 S2 -","2","1","LH5709","Mitchell, Lauren A.; Holliday, Bradley J.","6-Bromo-N-(6-bromopyridin-2-yl)-N-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]pyridin-2-amine","Acta Crystallographica Section E","2014","70","7","o797","","10.1107/S1600536814013191","","","0.71075","MoKα","","0.0652","0.0505","","","0.1203","0.1278","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239718","8.3545","0.0007","12.9503","0.0011","34.291","0.002","90","","90","","90","","3710.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4-Amino-N'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","","- C20 H19 N3 O2 Sn -","- C20 H19 N3 O2 Sn -","- C160 H152 N24 O16 Sn8 -","8","1","CV5466","Cheng, Miao; Zhao, Yuhong; Dong, Tiantian; Cui, Jichun","{4-Amino-N'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","Acta Crystallographica Section E","2014","70","7","m283","","10.1107/S1600536814014652","","","0.71073","MoKα","","0.0765","0.0515","","","0.1059","0.121","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239719","10.396","0.005","12.441","0.005","12.316","0.005","90","","105.502","0.005","90","","1535","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2,6,6-Tetrabromo-3,4,4,5-tetramethoxycyclohexanone","","- C10 H14 Br4 O5 -","- C10 H14 Br4 O5 -","- C40 H56 Br16 O20 -","4","1","ZS2305","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Shahid, M.","2,2,6,6-Tetrabromo-3,4,4,5-tetramethoxycyclohexanone","Acta Crystallographica Section E","2014","70","7","o826","","10.1107/S160053681401472X","","","0.71073","MoKα","","0.0408","0.0325","","","0.0815","0.0861","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239720","7.558","0.0007","8.6854","0.0008","12.252","0.0011","78.363","0.001","78.762","0.001","80.355","0.001","765.72","0.12","125","2","125","2","","","","","","","","4","P -1","-P 1","2","4-chloro-3-ethylphenol","4-chloro-3-ethylphenol","","- C8 H9 Cl O -","- C8 H9 Cl O -","- C32 H36 Cl4 O4 -","4","2","","Majer, Sean H.; Tanski, Joseph M.","4-Chloro-3-ethylphenol","Acta Crystallographica Section E","2014","70","7","o801","","10.1107/S1600536814013919","","","0.71073","MoKα","","0.0409","0.0367","","","0.1049","0.1072","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239721","16.493","0.001","9.7017","0.0005","17.908","0.001","90","","102.426","0.006","90","","2798.3","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^O^1^:O^1'^:O^2^:O^3^)bis(2,2-bipyridine-κ^2^N,N')(μ~2~-hydroxido)dicopper(II)] trihydrate]","","- C29 H26 Cu2 N4 O10 -","- C29 H26 Cu2 N4 O10 -","- C116 H104 Cu8 N16 O40 -","4","1","","El-kaheli, Mohamed N.; El-mehdawi, Ramadan M.; Abuhmaiera, Ramadan G.; Ben Younes, Mufida M.; Treish, Fathia A.; Guerri, Annalisa; Bazzicalupi, Carla","Poly[[(μ~4~-benzene-1,3,5-tricarboxylato-κ^4^O^1^:O^1'^:O^2^:O^3^)bis(2,2-bipyridine-κ^2^N,N')(μ~2~-hydroxido)dicopper(II)] trihydrate]","Acta Crystallographica Section E","2014","70","7","m270","m271","10.1107/S1600536814013877","","","0.71073","MoKα","","0.0696","0.0419","","","0.0938","0.099","","","","","","0.938","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239722","28.018","0.005","9.196","0.005","15.396","0.005","90","","93.376","0.005","90","","3960","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate","","- C18 H20 N4 O4 S -","- C18 H20 N4 O4 S -","- C144 H160 N32 O32 S8 -","8","2","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2014","70","7","o795","o796","10.1107/S1600536814013270","","","0.71073","MoKα","","0.1278","0.0677","","","0.1638","0.2102","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239723","9.2647","0.0003","12.926","0.0004","22.0729","0.0007","90","","90","","90","","2643.35","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,1-Diacetylferrocene dihydrazone","","- C14 H18 Fe N4 -","- C14 H18 Fe N4 -","- C112 H144 Fe8 N32 -","8","2","RK2429","Shikhaliyev, Namig G.; Gurbanov, Atash V.; Muzalevsky, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N.","1,1-Diacetylferrocene dihydrazone","Acta Crystallographica Section E","2014","70","8","m286","m287","10.1107/S1600536814014366","","","0.71073","MoKα","","0.0346","0.0309","","","0.0773","0.0801","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239724","7.2292","0.0004","8.9572","0.0005","9.5224","0.0005","70.051","0.001","68.712","0.001","70.136","0.001","523.39","0.05","213","2","213","2","","","","","","","","4","P -1","-P 1","2","Dibenzotetrathiafulvalene‒pyromellitic dianhydride; DBTTF‒PMDA","Dibenzotetrathiafulvalene‒pyromellitic dianhydride (1/1)","","- C24 H10 O6 S4 -","- C24 H10 O6 S4 -","- C24 H10 O6 S4 -","1","0.5","PK2526","Payne, Margaret E.; Goetz, Katelyn P.; Day, Cynthia S.; Jurchescu, Oana D.","The 1:1 charge-transfer complex dibenzotetrathiafulvalene‒pyromellitic dianhydride (DBTTF‒PMDA)","Acta Crystallographica Section E","2014","70","8","o844","o845","10.1107/S1600536814013324","","","0.71073","MoKα","","0.0367","0.032","","","0.0856","0.0909","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239725","8.0844","0.0001","16.9103","0.0003","15.6815","0.0003","90","","98.055","0.001","90","","2122.66","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]","","- C15 H17 Cu2 Na2 O19 -","- C15 H13 Cu2 Na2 O19 -","- C60 H52 Cu8 Na8 O76 -","4","1","PK2525","Camara, Magatte; Keita, Mohamed Fadel; Cisse, Cherif Cheikh Samsidine; Daiguebonne, Carole; Guillou, Olivier","Poly[[hexaaquasesqui(μ-benzene-1,2,4,5-tetracarboxylato)dicopper(II)disodium] monohydrate]","Acta Crystallographica Section E Structure Reports Online","2014","70","8","m284","","10.1107/S1600536814014755","","","0.71073","MoKα","","0.1312","0.0488","","","0.1193","0.1438","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239726","6.5427","0.0003","10.8219","0.0005","19.8397","0.001","90","","90","","90","","1404.74","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","IS5367","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","(5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one","Acta Crystallographica Section E","2014","70","8","o839","","10.1107/S1600536814014974","","","0.71073","MoKα","","0.0323","0.0309","","","0.0748","0.0754","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239727","3.823","0.002","5.973","0.003","18.386","0.008","85.99","0.04","87.74","0.04","86.58","0.04","417.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","7-Chloro-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C20 H10 Cl2 O6 -","2","1","","Ishikawa, Yoshinobu","7-Chloro-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","8","o831","","10.1107/S1600536814014925","","","0.71069","MoKα","","","0.0366","","","","0.1036","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239728","20.7595","0.0016","20.78","0.0016","28.427","0.002","90","","100.489","0.002","90","","12058","1.6","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methylbenzo[1,2-c:5,4-c']dichromen-6(8H)-one","","- C21 H14 O3 -","- C21 H14 O3 -","- C672 H448 O96 -","32","8","SU2746","Kayalvizhi, M.; Vasuki, G.; Khatri, Adil I.; Samant, Shriniwas D.","3-Methylbenzo[1,2-c:5,4-c']dichromen-6(8H)-one","Acta Crystallographica Section E","2014","70","8","o838","","10.1107/S1600536814015001","","","0.71073","MoKα","","0.15","0.0826","","","0.2289","0.2894","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239729","14.4204","0.0009","10.0329","0.0006","18.4597","0.0011","90","","101.423","0.001","90","","2617.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde","","- C35 H25 N3 O -","- C35 H25 N3 O -","- C140 H100 N12 O4 -","4","1","","Zhang, Yu-yang; Pan, Jian-Ting; Huang, Jian-Yan","4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde","Acta Crystallographica Section E","2014","70","8","o840","","10.1107/S1600536814013361","","","0.71073","MoKα","","0.0586","0.0392","","","0.0857","0.0967","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239730","23.5695","0.0018","6.8115","0.0005","7.5327","0.0006","90","","90.325","0.003","90","","1209.31","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]","","- C12 H10 Li2 O6 -","- C12 H10 Li2 O6 -","- C48 H40 Li8 O24 -","4","0.5","PJ2011","Fédèle, Lionel; Sauvage, Frédéric; Becuwe, Matthieu; Chotard, Jean-Noël","Poly[μ~6~-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]","Acta Crystallographica Section E","2014","70","8","m288","","10.1107/S1600536814013130","","","0.71073","MoKα","","0.0695","0.0433","","","0.0996","0.1093","","","","","","1.056","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2239731","7.19","0.0004","12.4811","0.0006","15.8685","0.0008","90","","99.453","0.001","90","","1404.69","0.13","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Fluoroindan-1-one","","- C9 H7 F O -","- C9 H7 F O -","- C72 H56 F8 O8 -","8","2","KJ2241","Slaw, Benjamin R.; Tanski, Joseph M.","6-Fluoroindan-1-one","Acta Crystallographica Section E","2014","70","8","o841","","10.1107/S1600536814015049","","","0.71073","MoKα","","0.0555","0.0414","","","0.11","0.1207","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239732","17.9533","0.0007","13.5533","0.0007","8.1417","0.0004","90","","95.785","0.002","90","","1971","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,12-Dimethoxy-5,6,9,10-tetrahydro-[5]helicene-7,8-dicarbonitrile","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","0.5","NR2052","Sahasithiwat, Somboon; Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao","3,12-Dimethoxy-5,6,9,10-tetrahydro-[5]helicene-7,8-dicarbonitrile","Acta Crystallographica Section E","2014","70","8","o837","","10.1107/S1600536814014950","","","0.71073","MoKα","","0.0584","0.0421","","","0.1171","0.1365","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239733","12.2678","0.0005","16.0544","0.0006","12.9903","0.0005","90","","104.448","0.002","90","","2477.55","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-28-norolea-12,17-dien-11-one","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","2","FY2111","Seebacher, Werner; Weis, Robert; Faist, Johanna; Saf, Robert; Belaj, Ferdinand","3β-Hydroxy-28-norolea-12,17-dien-11-one","Acta Crystallographica Section E","2014","70","8","o842","","10.1107/S1600536814014998","","","0.71073","MoKα","","0.0474","0.0378","","","0.0948","0.1025","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239734","7.782","0.003","9.015","0.005","14.991","0.006","103.17","0.05","96.51","0.03","95.52","0.04","1009.3","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","(E)-3,4,5-Trimethoxy-N'-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","","Ishikawa, Yoshinobu; Watanabe, Kohzoh","(E)-3,4,5-Trimethoxy-N'-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","8","o832","","10.1107/S1600536814014937","","","0.71069","MoKα","","","0.0764","","","","0.2303","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239735","14.0172","0.0003","7.83649","0.00015","17.2076","0.0003","90","","103.772","0.002","90","","1835.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-tert-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate","","- C14 H28 N2 O5 S -","- C14 H28 N2 O5 S -","- C56 H112 N8 O20 S4 -","4","1","","Bai, Xiao-Guang; Yang, Xiao-Yu; Wang, Ju-Xian","Di-tert-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate","Acta Crystallographica Section E","2014","70","8","o843","","10.1107/S1600536814015062","","","1.54184","CuKα","","0.0676","0.0628","","","0.1814","0.187","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239736","32.413","0.013","6.196","0.003","25.964","0.011","90","","100.258","0.007","90","","5131","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Diphenyl-1,3-thiazolidin-4-one","","- C15 H13 N O S -","- C15 H13 N O S -","- C240 H208 N16 O16 S16 -","16","2","FY2114","Yennawar, Hemant P.; Tierney, John; Silverberg, Lee J.","2,3-Diphenyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2014","70","8","o847","","10.1107/S1600536814015128","","","0.71073","MoKα","","0.0613","0.0493","","","0.1379","0.1466","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239737","7.1328","0.0013","8.0738","0.0015","17.868","0.003","102.142","0.016","94.325","0.015","95.212","0.015","997.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","5-Hydroxy-2-nitrobenzaldehyde thiosemicarbazone","","- C8 H8 N4 O3 S -","- C8 H8 N4 O3 S -","- C32 H32 N16 O12 S4 -","4","2","DS2241","Reddy, M. Sivasankar; Sarala, Y.; Jagadeesh, M.; Das, Samar K.; Ammireddy, Varada Reddy","5-Hydroxy-2-nitrobenzaldehyde thiosemicarbazone (HNBATSC)","Acta Crystallographica Section E","2014","70","8","o846","","10.1107/S1600536814015098","","","0.71073","MoKα","","0.1453","0.0651","","","0.0992","0.137","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239738","31.9861","0.0008","5.9668","0.0002","22.6135","0.0005","90","","134.885","0.001","90","","3057.92","0.15","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate","","- C33 H33 Cl3 N2 O4 Pd -","- C33 H33 Cl3 N2 O4 Pd -","- C132 H132 Cl12 N8 O16 Pd4 -","4","0.5","SJ5416","Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate","Acta Crystallographica Section E","2014","70","8","m289","m290","10.1107/S1600536814015025","","","0.71073","MoKα","","0.0323","0.0288","","","0.0693","0.0729","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239739","7.3887","0.0008","11.1147","0.0012","11.7274","0.0013","78.583","0.006","85.239","0.006","76.342","0.006","916.67","0.18","91","2","91","2","","","","","","","","5","P -1","-P 1","2","","[μ~2~-η^2^,η^2^-4-Hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^C^2^,C^3^:C^2^,C^3^]bis[tricarbonylcobalt(II)](Co—Co)","","- C14 H11 Br Co2 O9 -","- C14 H11 Br Co2 O9 -","- C28 H22 Br2 Co4 O18 -","2","1","HB0001","McAdam, C. John; Moratti, Stephen C.; Robinson, Brian H.; Simpson, Jim; Stanley, Roderick G.","Crystal structures of (μ~2~-η^2^,η^2^-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^C^2^,C^3^:C^2^,C^3^)bis[tricarbonylcobalt(II)](Co{—Co}) and [μ~2~-η^2^,η^2^-but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^C^2^,C^3^:C^2^,C^3^]bis[tricarbonylcobalt(II)](Co{—Co})","Acta Crystallographica Section E","2014","70","7","9","13","10.1107/S1600536814009659","","","0.71073","MoKα","","0.0541","0.0375","","","0.09","0.0973","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239740","9.392","0.005","10.71","0.005","13.269","0.005","71.314","0.005","71.973","0.005","84.63","0.005","1202.3","1","91","2","91","2","","","","","","","","5","P -1","-P 1","2","","[μ~2~-η^2^,η^2^-But-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^C^2^,C^3^:C^2^,C^3^]bis[tricarbonylcobalt(II)](Co—Co)","","- C18 H16 Br2 Co2 O10 -","- C18 H16 Br2 Co2 O10 -","- C36 H32 Br4 Co4 O20 -","2","1","HB0001","McAdam, C. John; Moratti, Stephen C.; Robinson, Brian H.; Simpson, Jim; Stanley, Roderick G.","Crystal structures of (μ~2~-η^2^,η^2^-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ^4^C^2^,C^3^:C^2^,C^3^)bis[tricarbonylcobalt(II)](Co{—Co}) and [μ~2~-η^2^,η^2^-but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ^4^C^2^,C^3^:C^2^,C^3^]bis[tricarbonylcobalt(II)](Co{—Co})","Acta Crystallographica Section E","2014","70","7","9","13","10.1107/S1600536814009659","","","0.71069","MoKα","","0.0529","0.0312","","","0.0613","0.0689","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239741","22.7542","0.0008","9.754","0.0003","14.0139","0.0005","90","","95.542","0.003","90","","3095.77","0.18","199.9","0.2","199.9","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido(piperidine-kN)(quinoline-2-carboxylato-κ^2^N,O)platinum(II)","","- C15 H17 Cl N2 O2 Pt -","- C15 H17 Cl N2 O2 Pt -","- C120 H136 Cl8 N16 O16 Pt8 -","8","1","WM0005","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structure of chlorido(piperidine-κN)(quinoline-2-carboxylato-κ^2^N,O)platinum(II)","Acta Crystallographica Section E","2014","70","7","36","38","10.1107/S160053681401191X","","","0.7107","MoKα","","0.0177","0.015","","","0.033","0.0345","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239742","5.4293","0.0006","5.5678","0.0006","10.4945","0.0012","101.508","0.003","104.544","0.003","97.057","0.003","295.86","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,5-Diazido-1,4-phenylene diacetate","","- C10 H8 N6 O4 -","- C10 H8 N6 O4 -","- C10 H8 N6 O4 -","1","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structures of 2,5-diazido-1,4-phenylene diacetate and 2,5-diazido-1,4-phenylene dibutyrate","Acta Crystallographica Section E","2014","70","7","39","42","10.1107/S1600536814013762","","","0.71073","MoKα","","0.0365","0.0337","","","0.0553","0.0558","","","","","","3.22","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239743","11.5875","0.0019","5.1485","0.0008","14.327","0.002","90","","108.496","0.005","90","","810.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Diazido-1,4-phenylene dibutyrate","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C28 H32 N12 O8 -","2","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structures of 2,5-diazido-1,4-phenylene diacetate and 2,5-diazido-1,4-phenylene dibutyrate","Acta Crystallographica Section E","2014","70","7","39","42","10.1107/S1600536814013762","","","0.71073","MoKα","","0.0769","0.0422","","","0.0462","0.0478","","","","","","2.15","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239744","18.945","0.002","7.0277","0.0008","5.4402","0.0006","90","","90","","90","","724.31","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ammonium divanadium(IV,V) tellurium(IV) heptaoxide","","- H4 N O7 Te V2 -","- N O7 Te V2 -","- N4 O28 Te4 V8 -","4","1","WM0003","Harrison, William T. A.; Johnston, Magnus G.","Crystal structure of ammonium divanadium(IV,V) tellurium(IV) heptaoxide","Acta Crystallographica Section E","2014","70","7","27","30","10.1107/S1600536814011015","","","0.71073","MoKα","","0.0742","0.0397","","","0.0743","0.0823","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239745","6.5982","0.0001","6.6074","0.0001","34.4574","0.0006","90","","94.809","0.001","90","","1496.95","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C52 H84 N12 O24 -","4","1","SU0005","Akhmad Aznan, Aina Mardia; Abdullah, Zanariah; Tiekink, Edward R. T.","Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt","Acta Crystallographica Section E","2014","70","7","31","35","10.1107/S1600536814011532","","","1.54184","CuKα","","0.04","0.0388","","","0.0983","0.0992","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239746","9.1036","0.0004","9.5027","0.0003","12.0736","0.0003","73.982","0.003","83.624","0.003","88.661","0.003","997.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate)","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","1","SU0005","Akhmad Aznan, Aina Mardia; Abdullah, Zanariah; Tiekink, Edward R. T.","Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt","Acta Crystallographica Section E","2014","70","7","31","35","10.1107/S1600536814011532","","","1.54184","CuKα","","0.0762","0.0736","","","0.2262","0.2292","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239747","4.1527","0.0004","20.4629","0.0018","12.0106","0.0011","90","","91.461","0.011","90","","1020.28","0.16","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(Pyridin-2-ylmethyl)pyrazine-2-carboxamide","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","1","HB0007","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) and N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2014","70","7","18","22","10.1107/S1600536814009519","","","0.71073","MoKα","","0.0421","0.0319","","","0.0843","0.0877","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239748","13.8564","0.0014","11.1841","0.0011","6.9122","0.001","90","","104.356","0.014","90","","1037.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(Pyridin-4-ylmethyl)pyrazine-2-carboxamide","","- C11 H10 N4 O -","- C11 H10 N4 O -","- C44 H40 N16 O4 -","4","1","HB0007","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) and N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide","Acta Crystallographica Section E","2014","70","7","18","22","10.1107/S1600536814009519","","","0.71073","MoKα","","0.1025","0.0542","","","0.108","0.1272","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239749","8.9653","0.0009","9.2113","0.0009","12.8052","0.0013","90","","101.042","0.002","90","","1037.9","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trilead(II) bis[dihydroxidotetraoxidoiodate(VII)]","","- H4 I2 O12 Pb3 -","- I2 O12 Pb3 -","- I8 O48 Pb12 -","4","1","HB0004","Weil, Matthias","Crystal structure of Pb~3~(IO~4~(OH)~2~)~2~","Acta Crystallographica Section E","2014","70","7","14","17","10.1107/S1600536814009520","","","0.71073","MoKα","","0.0557","0.0412","","","0.0825","0.0872","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239750","7.8256","0.0012","22.331","0.002","8.9976","0.0013","90","","110.04","0.016","90","","1477.2","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[(acetato-κO){μ~3~-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ^4^N:N^1^,N^2^:N^4^]copper(II)] dihydrate]","","- C13 H16 Cu N4 O5 -","- C13 H16 Cu N4 O5 -","- C52 H64 Cu4 N16 O20 -","4","1","HB0008","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal‒organic framework (MOF)","Acta Crystallographica Section E Structure Reports Online","2014","70","7","23","","10.1107/S1600536814011520","","","0.71073","MoKα","","0.0765","0.0395","","","0.0643","0.0715","","","","","","0.777","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2239751","7.288","0.0002","8.9214","0.0003","9.8192","0.0003","66.258","0.001","73.778","0.001","84.468","0.001","561.04","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)","","- C18 H18 Cl4 N4 Pd S2 -","- C18 H18 Cl4 N4 Pd S2 -","- C18 H18 Cl4 N4 Pd S2 -","1","0.5","PJ2013","Reyes-Martínez, Reyna; Carballo, Rubén M.; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David","Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)","Acta Crystallographica Section E","2014","70","8","m295","","10.1107/S1600536814015360","","","0.71073","MoKα","","0.0204","0.0195","","","0.0501","0.0508","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239752","22.782","0.005","7.144","0.005","8.857","0.005","90","","100.189","0.005","90","","1418.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide","","- C13 H15 N5 O S -","- C13 H15 N5 O S -","- C52 H60 N20 O4 S4 -","4","1","SU2743","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barji Nayan; Jayaprakash, Venkatesh; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2014","70","8","o850","","10.1107/S1600536814015256","","","0.71073","MoKα","","0.0534","0.0393","","","0.117","0.1283","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239753","21.578","0.003","5.6521","0.0004","13.8629","0.0017","90","","118.415","0.017","90","","1487","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Allylammonium hydrogen oxalate hemihydrate","","- C5 H10 N O4.5 -","- C5 H10 N O4.5 -","- C40 H80 N8 O36 -","8","1","HB7243","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Allylammonium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2014","70","8","o852","","10.1107/S1600536814015190","","","0.71073","MoKα","","0.0636","0.0428","","","0.0929","0.098","","","","","","0.902","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239754","12.1812","0.001","10.0713","0.0007","11.3628","0.001","90","","91.011","0.008","90","","1393.78","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^N:N'] nitrate]","","- C9 H11 N7 O3 Zn -","- C9 H11 N7 O3 Zn -","- C36 H44 N28 O12 Zn4 -","4","1","SU2723","Govindhan, Elumalai; Ganeshraja, A. S.; Bhavana, B.; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam","catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^N:N'] nitrate]","Acta Crystallographica Section E","2014","70","8","m298","m299","10.1107/S1600536814015232","","","0.71073","MoKα","","0.051","0.033","","","0.0745","0.083","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239755","19.065","0.002","28.668","0.004","11.88","0.0014","90","","90","","90","","6493.1","1.4","273","2","273","2","","","","","","","","4","A b a 2","A 2 -2ab","41","Z-1,4-dione","(Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","","- C16 H8 Cl4 O2 -","- C16 H8 Cl4 O2 -","- C256 H128 Cl64 O32 -","16","","","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","(Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","8","o861","o862","10.1107/S1600536814015463","","","0.71073","MoKα","","0.0767","0.0652","","","0.1366","0.1454","","","","","","1.134","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239756","23.076","0.0005","9.938","0.0003","27.0341","0.0007","90","","108.428","0.002","90","","5881.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Amide Cyclophane","8,18-Dithia-2,6-diaza-13(1,4)-piperidina-1(1,2),4(1,3),7(1,2)-tribenzenaoctadecaphane-10,15-diyne-3,6-dione","","- C32 H30 N4 O2 S2 -","- C32 H30 N4 O2 S2 -","- C256 H240 N32 O16 S16 -","8","1","SU2737","Viswanathan, Vijayan; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","An amide cyclophane","Acta Crystallographica Section E","2014","70","8","o865","","10.1107/S1600536814015621","","","0.71073","MoKα","","0.0976","0.0422","","","0.094","0.1167","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239757","8.9356","0.0007","10.8873","0.0008","19.3122","0.0014","90","","99.472","0.002","90","","1853.2","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methyl-N-{2-[(E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","XU5798","Kim, Sung-Gon","4-Methyl-N-{2-[(E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide","Acta Crystallographica Section E","2014","70","8","o851","","10.1107/S1600536814015311","","","0.71073","MoKα","","0.1328","0.0566","","","0.1167","0.1542","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239758","10.9998","0.0004","17.8613","0.0006","26.6592","0.0009","90","","97.9013","0.0011","90","","5188","0.3","115","","115","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^N]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)","","","- C53 H40 Cl4 F3 Fe N4 O10 S -","- C53 H40 Cl4 F3 Fe N4 O10 S -","- C212 H160 Cl16 F12 Fe4 N16 O40 S4 -","4","1","XU5800","Ben Haj Hassen, Leila; Ezzayani, Khaireddine; Rousselin, Yoann; Nasri, Habib","Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^N]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)","Acta Crystallographica Section E","2014","70","8","m296","m297","10.1107/S1600536814015335","","","0.71073","MoKα","","0.0661","0.0398","","","0.0892","0.101","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239759","11.0153","0.0008","9.8596","0.0007","9.5476","0.0006","90","","90","","90","","1036.93","0.12","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Fluoro-N-(4-hydroxybenzylidene)aniline","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","SJ5413","Jothi, L.; Anuradha, G.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.","4-Fluoro-N-(4-hydroxybenzylidene)aniline","Acta Crystallographica Section E","2014","70","8","o860","","10.1107/S1600536814015153","","","0.71073","MoKα","","0.0367","0.0286","","","0.0707","0.0779","","","","","","1.111","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239760","12.7332","0.0014","14.2777","0.0014","19.003","0.002","90","","90","","90","","3454.8","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-ol","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C168 H144 N16 O32 -","8","2","BQ2396","Chouguiat, Louisa; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid","4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-ol","Acta Crystallographica Section E","2014","70","8","o863","o864","10.1107/S1600536814015645","","","0.71073","MoKα","","0.0512","0.0425","","","0.1083","0.1139","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239761","5.1582","0.0001","23.2339","0.0005","9.8858","0.0002","90","","94.7949","0.0012","90","","1180.62","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate","","- C9 H13 Cl N4 O4 -","- C9 H13 Cl N4 O4 -","- C36 H52 Cl4 N16 O16 -","4","1","SJ5418","Edison, Bellarmin; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate","Acta Crystallographica Section E","2014","70","8","o857","o858","10.1107/S1600536814015220","","","0.71073","MoKα","","0.0594","0.0403","","","0.089","0.0994","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239762","21.992","0.0017","11.075","0.0019","17.648","0.003","90","","103.56","0.002","90","","4178.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","","- C22 H19 Br2 N O3 -","- C22 H19 Br2 N O3 -","- C176 H152 Br16 N8 O24 -","8","1","HB7238","Zhang, Dawei; Hao, Linlin; Li, Jing","Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate","Acta Crystallographica Section E","2014","70","8","o856","","10.1107/S160053681401530X","","","0.71069","MoKα","","0.0751","0.0425","","","0.1","0.1134","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239763","10.1788","0.0006","11.4325","0.0007","13.1395","0.0009","81.847","0.002","86.662","0.003","69.654","0.002","1419.08","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate","","- C35 H31 N O5 -","- C35 H31 N O5 -","- C70 H62 N2 O10 -","2","1","NK2218","Govindan, E.; Murugavel, K.; Amirthaganesan, S.; SubbiahPandi, A.","Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2014","70","8","o854","","10.1107/S1600536814015244","","","0.71073","MoKα","","0.0499","0.0354","","","0.0966","0.1086","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239764","7.7369","0.0003","7.2079","0.0004","20.2499","0.0009","90","","99.816","0.004","90","","1112.74","0.09","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","","- C27 H34 O2 -","- C27 H34 O2 -","- C54 H68 O4 -","2","1","","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Auhmani, Abdelwahed; Daran, Jean-Claude","(4bS,8aS)-1-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl benzoate","Acta Crystallographica Section E","2014","70","8","o866","o867","10.1107/S1600536814015827","","","1.54184","CuKα","","0.0408","0.0379","","","0.0917","0.0947","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239765","8.04","0.005","11.071","0.008","12.65","0.009","96.882","0.013","93.221","0.011","96.065","0.008","1108.9","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-[7-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzothiadiazol-4-yl]-2-[(neopentylimino)methyl]phenol","","- C24 H23 N3 O3 S2 -","- C24 H23 N3 O3 S2 -","- C48 H46 N6 O6 S4 -","2","1","LH5710","Mitchell, Lauren A.; Dinser, Jordan A.; Holliday, Bradley J.","(E)-4-[7-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzothiadiazol-4-yl]-2-[(neopentylimino)methyl]phenol","Acta Crystallographica Section E","2014","70","8","o848","o849","10.1107/S1600536814014883","","","0.71075","MoKα","","0.0995","0.0612","","","0.143","0.168","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239766","12.353","0.003","4.5092","0.0009","19.778","0.004","90","","90","","90","","1101.7","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-Bromo-2-[(phenylimino)methyl]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C52 H40 Br4 N4 O4 -","4","1","NK2224","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","4-Bromo-2-[(phenylimino)methyl]phenol","Acta Crystallographica Section E","2014","70","8","o853","","10.1107/S1600536814015268","","","0.71073","MoKα","","0.0487","0.0386","","","0.0742","0.0779","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239767","7.628","0.003","8.34","0.003","9.464","0.004","103.544","0.008","92.555","0.007","94.87","0.007","581.9","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","Bis(2-nitrophenyl)methane","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C26 H20 N4 O8 -","2","1","","Janzen, Daron E.; Crepeau, Laura E.; Hageseth, Benjamin D.; Wollack, James W.","Bis(2-nitrophenyl)methane","Acta Crystallographica Section E","2014","70","8","o859","","10.1107/S1600536814015438","","","0.71075","MoKα","","","0.0475","","","","0.1139","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239768","8.8547","0.0005","5.8455","0.0003","28.8034","0.0017","90","","97.396","0.006","90","","1478.46","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","","- C18 H17 Cl O -","- C18 H17 Cl O -","- C72 H68 Cl4 O4 -","4","1","ZS2302","Narayana, Badiadka; Salian, Vinutha V.; Sarojini, Balladka K.; Jasinski, Jerry P.","(2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2014","70","8","o855","","10.1107/S1600536814015281","","","1.54184","CuKα","","0.1063","0.0928","","","0.2724","0.2864","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239769","15.9731","0.0003","15.9731","0.0003","18.4149","0.0004","90","","90","","120","","4068.91","0.14","296","2","296","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate],","","- C2 H15.667 Ca O13.667 P2 Pd -","- C2 H14.5 Ca O13.6667 P2 Pd -","- C24 H174 Ca12 O164 P24 Pd12 -","12","0.5","","Kutsenko, Irina P.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Pekhnyo, Vasily I.; Rusanova, Julia A.","Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate]","Acta Crystallographica Section E","2014","70","8","m291","m292","10.1107/S1600536814015189","","","0.71073","MoKα","","0.0457","0.0306","","","0.0647","0.0713","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239770","4.6427","0.0001","4.6427","0.0001","9.1234","0.0002","90","","90","","90","","196.652","0.007","150","2","150","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","Dilithium hexafluoridoplatinate(IV)","Dilithium hexafluoridoplatinate(IV)","","- F6 Li2 Pt -","- F6 Li2 Pt -","- F12 Li4 Pt2 -","2","0.125","WM5032","Kraus, Florian","Li~2~PtF~6~ revisited","Acta Crystallographica Section E","2014","70","8","i43","","10.1107/S1600536814015566","","","0.71073","MoKα","","0.0247","0.0188","","","0.0476","0.0523","","","","","","1.169","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239771","5.422","0.0005","7.9937","0.0007","19.267","0.002","90","","90","","90","","835.07","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Kalium-4-azido-bezolsulfonat","Potassium 4-azidobenzenesulfonate","","- C6 H4 K N3 O3 S -","- C6 H4 K N3 O3 S -","- C24 H16 K4 N12 O12 S4 -","4","1","HP2068","Biesemeier, Frank; Geiseler, Gertraud; Harms, Klaus; Müller, Ulrich","Potassium 4-azidobenzenesulfonate","Acta Crystallographica Section E","2014","70","8","m300","","10.1107/S1600536814015669","","","0.71069","MoKα","","0.0187","0.0179","","","0.0474","0.0478","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239772","4.944","0.001","4.944","0.001","24.129","0.006","90","","90","","120","","510.77","0.19","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Diterbium heptanickel","","- Ni7 Tb1.96 -","- Ni7 Tb1.962 -","- Ni28 Tb7.848 -","4","0.166667","FJ2679","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Diterbium heptanickel: a crystal structure redetermination","Acta Crystallographica Section E Structure Reports Online","2014","70","8","i42","","10.1107/S1600536814015384","","","0.71073","MoKα","","0.049","0.0245","","","0.0353","0.0407","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239773","13.4308","0.0002","35.3969","0.0006","20.6967","0.0003","90","","97.62","0.001","90","","9752.5","0.3","100","1","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Benzyldiphenylphosphane-1κP)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^P:P']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-triangulo-triruthenium(0)","","- C53 H39 O9 P3 Ru3 -","- C53 H39 O9 P3 Ru3 -","- C424 H312 O72 P24 Ru24 -","8","2","","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Rosli, Mohd Mustaqim","(Benzyldiphenylphosphane-1κP)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^P:P']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-triangulo-triruthenium(0)","Acta Crystallographica Section E","2014","70","8","m293","m294","10.1107/S1600536814015475","","","0.71073","MoKα","","0.0627","0.0433","","","0.0817","0.089","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239774","8.9962","0.0002","16.1159","0.0002","8.5491","0.0001","90","","90","","90","","1239.46","0.03","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos","4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone","Acta Crystallographica Section E","2014","70","8","o868","","10.1107/S1600536814016018","","","0.71073","MoKα","","0.0367","0.0304","","","0.0676","0.071","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239775","3.911","0.0008","10.136","0.002","9.848","0.002","90","","98.71","0.03","90","","385.89","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","","- C6 H6 Cl N3 O2 -","- C6 H6 Cl N3 O2 -","- C12 H12 Cl2 N6 O4 -","2","1","","Wu, Ya-Ming","Methyl 4-amino-2-chloropyrimidine-5-carboxylate","Acta Crystallographica Section E","2014","70","8","o869","","10.1107/S1600536814016080","","","0.71073","MoKα","","0.0583","0.0461","","","0.1012","0.1086","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239776","7.7213","0.0004","12.9759","0.0008","18.3318","0.0011","90","","95.248","0.002","90","","1828.98","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido{(2E)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate","","- C14 H16 Cd Cl2 N4 O S -","- C14 H16 Cd Cl2 N4 O S -","- C56 H64 Cd4 Cl8 N16 O4 S4 -","4","1","FJ2677","Aravindakshan, Ambili A.; Seena, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Dichlorido{(2E)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate","Acta Crystallographica Section E","2014","70","8","m301","m302","10.1107/S1600536814015694","","","0.71073","MoKα","","0.0343","0.0275","","","0.0695","0.0744","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239777","9.2222","0.0003","10.7555","0.0004","19.4962","0.0005","90","","95.503","0.002","90","","1924.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2H)-one","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","BT6954","Vinuchakkaravarthy, T.; Sankaran, M.; Mohan, P. S.; Velmurugan, D.","(2E)-2-Benzylidene-9-phenyl-3,4-dihydroacridin-1(2H)-one","Acta Crystallographica Section E","2014","70","8","o870","","10.1107/S1600536814015943","","","0.71073","MoKα","","0.0731","0.0443","","","0.1138","0.1314","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239778","8.7196","0.0004","10.7874","0.0005","11.3488","0.0005","82.624","0.002","82.775","0.002","79.214","0.002","1034.27","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (2S*,2'R*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","SU2728","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A.","Crystal structures of ethyl (2S*,2'R*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2S*,2'R*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2014","70","8","94","97","10.1107/S1600536814015426","","","0.71073","MoKα","","0.0354","0.0315","","","0.0846","0.087","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239779","10.4678","0.0005","10.9074","0.0005","11.5652","0.0005","85.973","0.002","65.612","0.002","62.089","0.002","1050.25","0.09","293","2","","","","","","","","","","6","P -1","-P 1","2","","Ethyl (2S*,2'R*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","SU2728","Savithri, M. P.; Suresh, M.; Raghunathan, R.; Vimala, G.; Raja, R.; SubbiahPandi, A.","Crystal structures of ethyl (2S*,2'R*)-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate and ethyl (2S*,2'R*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-dihydrodispiro[1-benzothiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2014","70","8","94","97","10.1107/S1600536814015426","","","0.71073","MoKα","","0.0463","0.0357","","","0.096","0.1028","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239780","9.6858","0.0004","9.6858","0.0004","26.5116","0.0017","90","","90","","90","","2487.2","0.2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,3,5,6-Tetrakis(bromomethyl)pyrazine","","- C8 H8 Br4 N2 -","- C8 H8 Br4 N2 -","- C64 H64 Br32 N16 -","8","1","HB0005","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structure of a tetrakis-substituted pyrazine compound: 2,3,5,6-tetrakis(bromomethyl)pyrazine","Acta Crystallographica Section E","2014","70","8","51","53","10.1107/S1600536814011337","","","0.71073","MoKα","","0.0951","0.0433","","","0.0836","0.0955","","","","","","0.843","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239781","10.0618","0.0003","10.1653","0.0003","27.0304","0.0011","87.163","0.001","85.001","0.001","66.509","0.001","2525.6","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquabis[1,5-bis(pyridin-4-yl)pentane-κ^2^N:N']cadmium] bis(perchlorate) 1,5-bis(pyridin-4-yl)pentane ethanol monosolvate]","","- C47 H64 Cd Cl2 N6 O11 -","- C47 H64 Cd Cl2 N6 O11 -","- C94 H128 Cd2 Cl4 N12 O22 -","2","1","WM0007","Harrison, William T. A.; Plater, M. John; deSilva, Ben M. deSilva; Foreman, Mark R. St J.","Crystal structure of a layered coordination polymer based on a 4^4^ net containing Cd^2+^ ions and 1,5-bis(pyridin-4-yl)pentane linkers","Acta Crystallographica Section E","2014","70","8","80","83","10.1107/S1600536814014779","","","0.71073","MoKα","","0.1499","0.0908","","","0.1981","0.2206","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239782","11.4079","0.0006","13.1968","0.0008","14.3681","0.0007","90","","96.387","0.005","90","","2149.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-methylphenyl)-3-nitropyridin-2-amine","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","4","HB0011","Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","Crystal structure of a new monoclinic polymorph of N-(4-methylphenyl)-3-nitropyridin-2-amine","Acta Crystallographica Section E","2014","70","8","58","61","10.1107/S1600536814012227","","","1.54184","CuKα","","0.0614","0.0426","","","0.108","0.1236","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239783","20.9248","0.0013","8.7872","0.0005","21.2833","0.0015","90","","92.841","0.008","90","","3908.6","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis{(4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^N^1^,S)}nickel(II) monohydrate tetrahydrofuran disolvate","","- C42 H50 N6 Ni O3 S2 -","- C42 H50 N6 Ni O3 S2 -","- C168 H200 N24 Ni4 O12 S8 -","4","1","","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","Crystal structure of cis-bis[4-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^N^1^,S]nickel(II) monohydrate tetrahydrofuran disolvate","Acta Crystallographica Section E","2014","70","8","101","103","10.1107/S1600536814016079","","","0.71073","MoKα","","0.0477","0.0382","","","0.0849","0.0897","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239784","7.8559","0.0004","14.1579","0.001","29.888","0.002","90","","90","","90","","3324.2","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bis(17-β-estradiol 3-methyl ether) oxalate diester","Bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","","- C40 H50 O6 -","- C40 H50 O6 -","- C160 H200 O24 -","4","1","SU0001","Harrison, William T. A.; Nahar, Lutfun; Turner, Alan B.","Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","Acta Crystallographica Section E","2014","70","8","62","64","10.1107/S1600536814009349","","","0.71073","MoKα","","0.1555","0.075","","","0.1085","0.1284","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239785","10.5373","0.0003","17.1597","0.0003","13.7278","0.0004","90","","107.908","0.003","90","","2361.96","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","","- C25 H29 Br Cl N O4 -","- C25 H29 Br Cl N O4 -","- C100 H116 Br4 Cl4 N4 O16 -","4","1","HB0002","Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim","Crystal structure of 9-(3-bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","Acta Crystallographica Section E","2014","70","8","44","47","10.1107/S1600536814009556","","","1.54184","CuKα","","0.0505","0.0404","","","0.0984","0.1076","","","","","","1.025","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239786","7.1347","0.0002","17.2819","0.0007","7.3289","0.0003","90","","90","","90","","903.66","0.06","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Potassium trifluorido(4-methoxyphenyl)borate","","- C7 H7 B F3 K O -","- C7 H7 B F3 K O -","- C28 H28 B4 F12 K4 O4 -","4","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0213","0.0212","","","0.0589","0.059","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239787","7.1317","0.0005","7.3757","0.0005","29.129","0.002","90","","90","","90","","1532.22","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium trifluorido(4-fluorophenyl)borate","","- C6 H4 B F4 K -","- C6 H4 B F4 K -","- C48 H32 B8 F32 K8 -","8","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0358","0.0271","","","0.0624","0.0654","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239788","8.877","0.002","12.628","0.003","13.81","0.004","74.68","0.02","74.48","0.02","83.105","0.018","1436.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","trans-Dichloridotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II)","","- C60 H80 Cl2 Fe N8 -","- C60 H80 Cl2 Fe N8 -","- C60 H80 Cl2 Fe N8 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of trans-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II), trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) and trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.0977","0.0426","","","0.0615","0.0693","","","","","","0.795","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239789","9.0391","0.0011","12.7658","0.0011","13.689","0.002","74.502","0.009","74.481","0.012","84.343","0.009","1466","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","trans-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II)","","- C60 H80 Br2 Fe N8 -","- C60 H80 Br2 Fe N8 -","- C60 H80 Br2 Fe N8 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of trans-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II), trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) and trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.1052","0.0461","","","0.0692","0.0805","","","","","","0.808","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239790","11.671","0.0008","12.4758","0.0009","13.5759","0.001","64.464","0.005","81.515","0.006","88.982","0.006","1761.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","trans-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) diethyl ether disolvate","","- C68 H100 Br2 Fe N8 O2 -","- C68 H100 Br2 Fe N8 O2 -","- C68 H100 Br2 Fe N8 O2 -","1","0.5","","Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen","Crystal structures of trans-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II), trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) and trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-κN^3^]iron(II) diethyl ether disolvate","Acta Crystallographica Section E","2014","70","8","72","76","10.1107/S1600536814014056","","","0.71073","MoKα","","0.0358","0.0307","","","0.0756","0.0773","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239791","5.6966","0.0006","10.6852","0.0013","12.775","0.0017","101.573","0.007","100.62","0.007","101.311","0.006","726.48","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1Z)-1-(4-Chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C34 H30 Cl2 N4 O4 -","2","1","SU0007","Mangwala Kimpende, Peter; Doan, Thi Kieu Oanh; Vu, Quoc Trung; Van Meervelt, Luc","Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide","Acta Crystallographica Section E","2014","70","8","84","86","10.1107/S1600536814014445","","","1.54178","CuKα","","0.0843","0.0639","","","0.1541","0.1712","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239792","10.1746","0.0003","10.1746","0.0003","29.5107","0.0011","90","","90","","90","","3055.02","0.17","100","2","100","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","Nickel tetrathiocyanatomercurate(II) methanol disolvate","catena-Poly[[bis(methanol-κO)nickel(II)]-di-μ-thiocyanato-κ^4^N:S-mercurate(II)-di-μ-thiocyanato-κ^4^N:S]","","- C6 H8 Hg N4 Ni O2 S4 -","- C6 H8 Hg N4 Ni O2 S4 -","- C48 H64 Hg8 N32 Ni8 O16 S32 -","8","0.5","HB0003","Weil, Matthias; Häusler, Thomas","Crystal structure of [NiHg(SCN)~4~(CH~3~OH)~2~]~n~","Acta Crystallographica Section E","2014","70","8","48","50","10.1107/S1600536814009532","","","0.71073","MoKα","","0.0328","0.0263","","","0.0493","0.0505","","","","","","0.96","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239793","13.4705","0.0007","11.6686","0.0006","11.7081","0.0007","90","","107.576","0.002","90","","1754.39","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dibromo-N,N-bis(4-nitrophenyl)aniline","","- C18 H11 Br2 N3 O4 -","- C18 H11 Br2 N3 O4 -","- C72 H44 Br8 N12 O16 -","4","1","","Kautny, Paul; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Isotypic crystal structures of 2,6-dibromo-N,N-bis(4-nitrophenyl)aniline and 2,6-dichloro-N,N-bis(4-nitrophenyl)aniline","Acta Crystallographica Section E","2014","70","8","65","67","10.1107/S1600536814010964","","","0.71073","MoKα","","0.0592","0.0335","","","0.0725","0.079","","","","","","1.36","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239794","13.3117","0.0003","11.546","0.0003","11.7558","0.0003","90","","108.797","0.001","90","","1710.46","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Dichloro-N,N-bis(4-nitrophenyl)aniline","","- C18 H11 Cl2 N3 O4 -","- C18 H11 Cl2 N3 O4 -","- C72 H44 Cl8 N12 O16 -","4","1","","Kautny, Paul; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Isotypic crystal structures of 2,6-dibromo-N,N-bis(4-nitrophenyl)aniline and 2,6-dichloro-N,N-bis(4-nitrophenyl)aniline","Acta Crystallographica Section E","2014","70","8","65","67","10.1107/S1600536814010964","","","0.71073","MoKα","","0.0383","0.0337","","","0.1253","0.1313","","","","","","1.39","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239795","9.8937","0.0006","6.9932","0.0005","11.8054","0.0007","90","","102.078","0.001","90","","798.72","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[3-(4,5-Dihydro-1,3-thiazolin-2-yl-κN)-1,3-thiazolidine-2-thione-κS^2^](1,3-thiazolidine-2-thione-κS^2^)copper(I) nitrate","","- C9 H13 Cu N4 O3 S5 -","- C9 H13 Cu N4 O3 S5 -","- C18 H26 Cu2 N8 O6 S10 -","2","0.5","SJ5420","Saithong, Saowanit; Klongkleaw, Pirawan; Pakawatchai, Chaveng; Mokakul, Jedsada","Crystal structure of [3-(4,5-dihydro-1,3-thiazolin-2-yl-κN)-1,3-thiazolidine-2-thione-κS^2^](1,3-thiazolidine-2-thione-κS^2^)copper(I) nitrate","Acta Crystallographica Section E","2014","70","8","91","93","10.1107/S160053681401544X","","","0.71073","MoKα","","0.0316","0.029","","","0.0787","0.0804","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239796","6.7533","0.0008","8.6299","0.001","35.206","0.004","90","","90","","90","","2051.8","0.4","100","2","100","2","","","","","","","","4","F 2 d d","F -2d 2","43","sodium selenate sesquihydrate","Sodium selenate sesquihydrate","","- H3 Na2 O5.5 Se -","- H3 Na2 O5.5 Se -","- H48 Na32 O88 Se16 -","16","1","HB0010","Weil, Matthias; Bonneau, Barbara","Crystal structures of Na~2~SeO~4~·1.5H~2~O and Na~2~SeO~4~·10H~2~O","Acta Crystallographica Section E","2014","70","8","54","57","10.1107/S1600536814011799","","","0.71073","MoKα","","0.021","0.0189","","","0.0415","0.042","","","","","","0.994","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239797","11.5758","0.0006","10.4911","0.0005","12.957","0.0007","90","","107.995","0.003","90","","1496.56","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium selenate decahydrate","Sodium selenate decahydrate","","- H20 Na2 O14 Se -","- H20 Na2 O14 Se -","- H80 Na8 O56 Se4 -","4","1","HB0010","Weil, Matthias; Bonneau, Barbara","Crystal structures of Na~2~SeO~4~·1.5H~2~O and Na~2~SeO~4~·10H~2~O","Acta Crystallographica Section E","2014","70","8","54","57","10.1107/S1600536814011799","","","0.71073","MoKα","","0.0341","0.0206","","","0.0427","0.0458","","","","","","1.052","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239798","8.1259","0.0014","7.1873","0.0012","15.583","0.003","90","","120.631","0.01","90","","783.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dicaesium thorium nitrate","Dicaesium hexanitratothorate(IV)","","- Cs2 N6 O18 Th -","- Cs2 N6 O18 Th -","- Cs4 N12 O36 Th2 -","2","0.5","WM5033","Woidy, Patrick; Kraus, Florian","Crystal structure of Cs~2~[Th(NO~3~)~6~]","Acta Crystallographica Section E","2014","70","8","98","100","10.1107/S1600536814015876","","","0.71073","MoKα","","0.0376","0.0229","","","0.0437","0.0471","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239799","16.649","0.0008","6.4457","0.0003","11.5438","0.0006","90","","116.772","0.002","90","","1106.02","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquadi-n-propyltin(IV)]-μ-oxalato]","","- C8 H16 O5 Sn -","- C8 H16 O5 Sn -","- C32 H64 O20 Sn4 -","4","0.5","WM5030","Reichelt, Martin; Reuter, Hans","Crystal structure of catena-poly[[aquadi-n-propyltin(IV)]-μ-oxalato]","Acta Crystallographica Section E","2014","70","8","87","90","10.1107/S1600536814015372","","","0.71073","MoKα","","0.0267","0.0238","","","0.0564","0.0576","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239800","11.4337","0.0005","9.916","0.0005","19.1544","0.0011","90","","100.12","0.006","90","","2137.87","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","","- C18 H20 Cl4 N2 O2 Zn -","- C18 H20 Cl4 N2 O2 Zn -","- C72 H80 Cl16 N8 O8 Zn4 -","4","0.5","BT6974","Govindan, Elumalai; Thirumurugan, Subramani; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam","Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate","Acta Crystallographica Section E","2014","70","8","m303","","10.1107/S1600536814015682","","","0.71073","MoKα","","0.0416","0.0328","","","0.0826","0.0881","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239801","9.2078","0.0004","9.8558","0.0005","18.9029","0.0009","77.667","0.001","77.507","0.001","67.9","0.001","1535.11","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] bis[trans-1,2-bis(pyridin-2-yl)ethylene]]","","- C28 H24 Ag2 Fe N8 O2 -","- C28 H24 Ag2 Fe N8 O2 -","- C56 H48 Ag4 Fe2 N16 O4 -","2","1","VN2085","Othong, Jintana; Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra","Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] trans-1,2-bis(pyridin-2-yl)ethylene disolvate]","Acta Crystallographica Section E","2014","70","8","107","110","10.1107/S1600536814016250","","","0.71073","MoKα","","0.0402","0.0286","","","0.0672","0.0725","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239802","10.1951","0.0003","7.3545","0.0002","16.53","0.0005","90","","102.86","0.003","90","","1208.33","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methylsulfanyl-2-phenylquinazoline","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C60 H48 N8 S4 -","4","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","4-Methylsulfanyl-2-phenylquinazoline","Acta Crystallographica Section E","2014","70","8","o871","","10.1107/S1600536814015657","","","0.71073","MoKα","","0.0487","0.039","","","0.0901","0.0965","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239803","9.772","0.0004","12.0351","0.0004","17.3162","0.0006","90","","93.947","0.001","90","","2031.68","0.13","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","3,10,14,21-Tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloroform monosolvate","","- C50 H37 Cl3 O5 -","- C49 H36 O5 -","- C98 H72 O10 -","2","0.5","TK5322","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","3,10,14,21-Tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^]henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one chloroform monosolvate","Acta Crystallographica Section E","2014","70","8","o873","o874","10.1107/S1600536814016389","","","0.71073","MoKα","","0.0524","0.0397","","","0.1173","0.1248","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239804","15.3319","0.0014","18.3248","0.0016","12.9564","0.0012","90","","90","","90","","3640.2","0.6","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(3-Methylbenzonitrile-1κN)-cis-tetrakis(μ-N-phenylacetamidato)-1:2κ^4^N:O;1:2κ^4^O:N-dirhodium(II)(Rh—Rh)","","- C40 H39 N5 O4 Rh2 -","- C40 H39 N5 O4 Rh2 -","- C160 H156 N20 O16 Rh8 -","4","0.5","","Eagle, Cassandra T.; Quarshie, Fredricka; Cook, Kevin M.","(3-Methylbenzonitrile-1κN)-cis-tetrakis(μ-N-phenylacetamidato)-1:2κ^4^N:O;1:2κ^4^O:N-dirhodium(II)(Rh—Rh)","Acta Crystallographica Section E","2014","70","8","m304","","10.1107/S1600536814016031","","","0.71075","MoKα","","0.0675","0.042","","","0.0811","0.0893","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239805","11.0496","0.0018","5.793","0.003","11.0496","0.0006","90","","96.77","0.03","90","","702.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(methylsulfonyl)methane","","- C3 H8 O4 S2 -","- C3 H8 O4 S2 -","- C12 H32 O16 S8 -","4","1","","Awad, Riad; Mallah, Eyad; Abu Dayyih, Wael; Sweidan, Kamal; Steimann, Manfred","Bis(methylsulfonyl)methane","Acta Crystallographica Section E","2014","70","8","o877","","10.1107/S1600536814016201","","","0.71073","MoKα","","0.0376","0.0311","","","0.07","0.0729","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239806","6.9824","0.0001","18.2035","0.0004","31.4449","0.0009","90","","90","","90","","3996.78","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Betulin 3,28-di-O-tosylate","(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-Pentamethyl-1-(prop-1-en-2-yl)-3a-[(tosyloxy)methyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl 4-methylbenzenesulfonate","","- C44 H62 O6 S2 -","- C44 H62 O6 S2 -","- C176 H248 O24 S8 -","4","1","FY2116","Peipiņš, Uldis; Freimanis, Niks; Stepanovs, Dmitrijs; Mishnev, Anatoly; Turks, Māris","Betulin 3,28-di-O-tosylate","Acta Crystallographica Section E","2014","70","8","o879","o880","10.1107/S1600536814016602","","","0.71073","MoKα","","0.1815","0.0769","","","0.114","0.1422","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239807","15.7531","0.0017","5.4345","0.001","22.756","0.003","90","","104.506","0.009","90","","1886","0.5","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pelanserin","3-[3-(4-Phenylpiperazin-1-yl)propyl]quinazoline-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","ZS2304","Aguirre Hernández, Gerardo; Somanathan, Ratnasamy; Bernès, Sylvain","Pelanserin: 3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4(1H,3H)-dione","Acta Crystallographica Section E","2014","70","8","o878","","10.1107/S160053681401602X","","","0.71073","MoKα","","0.2034","0.0717","","","0.108","0.148","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239808","12.1847","0.0002","5.6738","0.0001","17.762","0.0003","90","","95.682","0.001","90","","1221.92","0.04","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(E)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^N,O^1^}nickel(II)","","- C30 H28 N2 Ni O4 -","- C30 H28 N2 Ni O4 -","- C60 H56 N4 Ni2 O8 -","2","0.5","SJ5419","Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Fun, Hoong-Kun; Chantrapromma, Suchada","Crystal structure of bis{2-[(E)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^N,O^1^}nickel(II)","Acta Crystallographica Section E","2014","70","8","104","106","10.1107/S160053681401650X","","","0.71073","MoKα","","0.0331","0.0277","","","0.0707","0.0744","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239809","9.5219","0.0003","13.8808","0.0004","12.114","0.0003","90","","97.829","0.001","90","","1586.2","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile","","- C19 H19 F N2 O -","- C19 H19 F N2 O -","- C76 H76 F4 N8 O4 -","4","1","ZQ2223","Vishnupriya, R.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","8","o872","","10.1107/S1600536814016365","","","0.71073","MoKα","","0.0648","0.0534","","","0.1451","0.1545","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239810","7.6168","0.0006","9.9967","0.0005","11.7888","0.0006","105.283","0.005","99.416","0.005","92.221","0.005","851.05","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C34 H36 N8 O8 -","2","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","Acta Crystallographica Section E","2014","70","8","o875","o876","10.1107/S1600536814015670","","","0.71073","MoKα","","0.0797","0.0473","","","0.1052","0.1249","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239811","6.323","0.004","16.459","0.011","12.461","0.008","90","","90.33","0.009","90","","1296.8","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","","- C11 H11 Br N4 O S -","- C11 H11 Br N4 O S -","- C44 H44 Br4 N16 O4 S4 -","4","2","FY2115","Yuan, Cai-Xia; Lan, Shu-Fen; Liu, Xin-Yu; Zhu, Miao-Li","4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","8","o881","o882","10.1107/S1600536814016833","","","0.71073","MoKα","","0.0449","0.0308","","","0.0603","0.0646","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239812","7.9764","0.0016","8.6658","0.0017","15.278","0.003","87.79","0.03","76.18","0.03","77.59","0.03","1001.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-Carbamoylguanidinium bis(2,4,6-trinitrophenyl)azanide","","- C14 H11 N11 O13 -","- C14 H11 N11 O13 -","- C28 H22 N22 O26 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Hilfert, Liane; Edelmann, Frank T.","Crystal structure of the high-energy-density material guanylurea dipicrylamide","Acta Crystallographica Section E","2014","70","8","111","114","10.1107/S1600536814017164","","","0.71073","MoKα","","0.0447","0.0366","","","0.0931","0.0972","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239813","10.6265","0.0006","12.7146","0.0007","16.4031","0.0008","90","","99.524","0.002","90","","2185.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-Methyl-2,6-diphenylpiperidin-4-one O-(3-methylbenzoyl)oxime","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","BT6984","Kathiravan, V.; Krishnan, K. Gokula; Mohandas, T.; Thanikachalam, V.; Sakthivel, P.","(E)-3-Methyl-2,6-diphenylpiperidin-4-one O-(3-methylbenzoyl)oxime","Acta Crystallographica Section E","2014","70","8","o883","","10.1107/S1600536814016638","","","0.71073","MoKα","","0.1081","0.0526","","","0.1345","0.1748","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239814","11.876","0.003","9.025","0.003","17.465","0.005","90","","91.808","0.004","90","","1871","0.9","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(naphthalen-1-ylmethyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^S,S')nickelate(II)","","- C40 H28 N6 Ni S4 -","- C40 H28 N6 Ni S4 -","- C80 H56 N12 Ni2 S8 -","2","0.5","KP2472","Zhang, Miao; Xiong, Xu-Jie","Crystal structure of bis[1-(naphthalen-1-ylmethyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^S,S')nickelate(II)","Acta Crystallographica Section E","2014","70","8","115","117","10.1107/S1600536814017012","","","0.71073","MoKα","","0.0669","0.0399","","","0.0912","0.1022","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239815","10.594","0.005","5.109","0.002","33.152","0.015","90","","94.922","0.006","90","","1787.7","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Sun, Wan; Liu, Wen-Mo; Li, Sheng-Li","(E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid","Acta Crystallographica Section E","2014","70","8","o884","","10.1107/S1600536814016237","","","0.71073","MoKα","","0.0772","0.0557","","","0.1646","0.1919","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239816","16.0467","0.0012","4.8824","0.0004","23.0403","0.0018","90","","124.997","0.005","90","","1478.7","0.2","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Methyl-N-[2-(pyridin-2-yl)ethylcarbamothioyl]benzamide","","","- C16 H17 N3 O S -","- C16 H17 N3 O S -","- C64 H68 N12 O4 S4 -","4","1","ZS2306","Adam, Farook; Ameram, Nadiah; Eltayeb, Naser Eltaher","4-Methyl-N-[2-(pyridin-2-yl)ethylcarbamothioyl]benzamide","Acta Crystallographica Section E","2014","70","8","o885","","10.1107/S1600536814016377","","","0.71073","MoKα","","0.1107","0.068","","","0.1551","0.1823","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239817","12.877","0.0008","13.4384","0.0009","7.1292","0.0007","90","","112.072","0.006","90","","1143.27","0.16","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tétrasodium cobalt(II) tris[molybdate(VI)]","","- Co Mo3 Na4 O12 -","- Co1.006 Mo3 Na3.994 O12 -","- Co4.024 Mo12 Na15.976 O48 -","4","0.5","BR2240","Nasri, Rawia; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi; Driss, Ahmed","Crystal structure of alluaudite-type Na~4~Co(MoO~4~)~3~","Acta Crystallographica Section E","2014","70","9","i47","i48","10.1107/S1600536814016729","","","0.71073","MoKα","","0.0283","0.0254","","","0.0635","0.0649","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239818","10.0403","0.0005","11.0199","0.0006","11.9806","0.0006","114.892","0.001","94.696","0.001","111.751","0.001","1071.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraguanidinium [hexahydrogen hexaarsenato(V)tetravanadate(V)] tetrahydrate","","- C4 H34 As6 N12 O34 V4 -","- C4 H30 As6 N12 O34 V4 -","- C4 H30 As6 N12 O34 V4 -","1","0.5","","Harrison, William T. A.","Crystal structure of tetraguanidinium [hexahydrogen hexaarsenato(V)tetravanadate(V)] tetrahydrate","Acta Crystallographica Section E","2014","70","9","m305","m306","10.1107/S1600536814011349","","","0.70173","MoKα","","0.0666","0.0473","","","0.1217","0.1287","","","","","","0.987","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239819","13.3527","0.0009","12.4492","0.001","14.8935","0.0014","90","","95.604","0.004","90","","2463.9","0.3","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Bis(4-nitroaniline-κN^1^)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)cobalt(III) chloride dichloromethane monosolvate","","- C57 H42 Cl3 Co N8 O4 -","- C57 H42 Cl3 Co N8 O4 -","- C114 H84 Cl6 Co2 N16 O8 -","2","0.5","","Belghith, Yassine; Mansour, Anissa; Nasri, Habib","Crystal structure of bis(4-nitroaniline-κN^1^)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)cobalt(III) chloride dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","9","m312","m313","10.1107/S1600536814016274","","","0.71073","MoKα","","0.0483","0.0388","","","0.0912","0.0967","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239820","14.2405","0.0007","13.9271","0.0007","19.0774","0.001","90","","98.711","0.001","90","","3740","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Benzenecarbothioamide-κS)chloridobis(triphenylphosphane-κP)silver(I)","","- C43 H37 Ag Cl N P2 S -","- C43 H37 Ag Cl N P2 S -","- C172 H148 Ag4 Cl4 N4 P8 S4 -","4","1","LH5718","Ruangwut, Wattana; Pakawatchai, Chaveng","Crystal structure of (benzenecarbothioamide-κS)chloridobis(triphenylphosphane-κP)silver(I)","Acta Crystallographica Section E","2014","70","9","m310","m311","10.1107/S1600536814015992","","","0.71073","MoKα","","0.0373","0.0331","","","0.0736","0.0754","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239821","11.2727","0.0011","4.0775","0.0004","10.9764","0.001","90","","114.951","0.004","90","","457.44","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Potassium mercury tris-thiocyanate","Potassium [trithiocyanatomercurate(II)]","","- C3 Hg K N3 S3 -","- C3 Hg K N3 S3 -","- C6 Hg2 K2 N6 S6 -","2","0.5","HB0013","Weil, Matthias; Häusler, Thomas","Crystal structure of K[Hg(SCN)~3~] ‒ a redetermination","Acta Crystallographica Section E","2014","70","9","i46","","10.1107/S1600536814013403","","","0.71073","MoKα","","0.0614","0.028","","","0.0549","0.0616","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239822","8.4143","0.0012","24.421","0.004","9.2884","0.0014","90","","113.322","0.002","90","","1752.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[{μ-N,N'-bis[(pyridin-4-yl)methyl]oxalamide}-μ-oxalato-cobalt(II)]","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C64 H56 Co4 N16 O24 -","4","1","BT6986","Zou, Hengye; Qi, Yanjuan","Crystal structure of poly[{μ-N,N'-bis[(pyridin-4-yl)methyl]oxalamide}-μ-oxalato-cobalt(II)]","Acta Crystallographica Section E","2014","70","9","m307","m308","10.1107/S1600536814015608","","","0.71073","MoKα","","0.1674","0.0649","","","0.1187","0.1488","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239823","6.2771","0.0008","4.429","0.0006","8.3596","0.001","90","","91.695","0.004","90","","232.31","0.05","295","2","295","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","Mercurous sulfate","Mercury(I) sulfate","","- Hg2 O4 S -","- Hg2 O4 S -","- Hg4 O8 S2 -","2","0.5","HB0012","Weil, Matthias","Crystal structure of Hg2SO4‒ a redetermination","Acta Crystallographica Section E Structure Reports Online","2014","70","9","i44","","10.1107/S1600536814011155","","","0.71073","MoKα","","0.038","0.0354","","","0.0856","0.0871","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239824","22.0299","0.0004","4.8802","0.0001","8.3995","0.0002","90","","90","","90","","903.03","0.03","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","Di(strontium/lead) hexaaluminate","","- Al6 O11 Pb0.35 Sr1.65 -","- Al6 O11 Pb0.3472 Sr1.6528 -","- Al24 O44 Pb1.3888 Sr6.6112 -","4","0.5","HB0009","Weil, Matthias","Crystal structure of the solid solution (Sr~1.65~Pb~0.35~)Al~6~O~11~","Acta Crystallographica Section E","2014","70","9","i45","","10.1107/S1600536814010216","","","0.71073","MoKα","","0.0345","0.0269","","","0.0585","0.0608","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239825","8.6367","0.0011","13.2598","0.0016","13.4188","0.0014","90","","101.737","0.003","90","","1504.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MC493_LT","Poly[[trans-diaquabis[μ~2~-trans-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]","","- C24 H32 I2 N8 Ni O4 -","- C24 H32 I2 N8 Ni O4 -","- C48 H64 I4 N16 Ni2 O8 -","2","0.5","BX2463","Perles, Josefina; Cortijo, Miguel; Herrero, Santiago","Crystal structure of poly[[trans-diaquabis[μ~2~-trans-4,4'-(diazenediyl)dipyridine]nickel(II)] diiodide ethanol disolvate]","Acta Crystallographica Section E","2014","70","9","m314","m315","10.1107/S1600536814016158","","","0.71073","MoKα","","0.0736","0.0407","","","0.085","0.0972","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239826","9.5883","0.0004","10.4998","0.0004","13.0088","0.0005","70.633","0.004","83.867","0.003","89.0009","0.0018","1228.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Chloridopentakis(dimethyl sulfoxide-κO)chromium(III) dichloride","","- C10 H30 Cl3 Cr O5 S5 -","- C10 H30 Cl3 Cr O5 S5 -","- C20 H60 Cl6 Cr2 O10 S10 -","2","1","WM5034","Son, Kyung-sun; Woo, Jeong Oh; Kim, Namhun; Kang, Sung Kwon","Crystal structure of chloridopentakis(dimethyl sulfoxide-κO)chromium(III) dichloride","Acta Crystallographica Section E","2014","70","9","m309","","10.1107/S1600536814015852","","","0.71073","MoKα","","0.1433","0.0715","","","","0.1382","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239827","12.594","0.005","9.303","0.005","14.997","0.005","90","","96.402","0.005","90","","1746.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzyloxy-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","SU2761","Ghichi, Nadir; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","9","o957","o958","10.1107/S1600536814016936","","","0.71073","MoKα","","0.1121","0.0502","","","0.1282","0.1577","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239828","10.517","0.005","7.383","0.003","13.568","0.006","90","","102.332","0.006","90","","1029.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-3-phenylpyrrolidine-2,5-dione","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","SU2755","Ordonez, Carlos; Pavlovetc, Ilia M.; Khrustalev, Victor N.","Crystal structure of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione: a clinically used anticonvulsant","Acta Crystallographica Section E","2014","70","9","o942","o943","10.1107/S1600536814016717","","","0.71073","MoKα","","0.0613","0.0431","","","0.104","0.1167","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239829","11.4117","0.0004","16.1679","0.0007","7.8201","0.0003","90","","103.382","0.002","90","","1403.66","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-3-Chloro-1,3-dimethyl-N-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide","","- C14 H15 Cl N2 O4 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","HG5403","Zeller, Matthias; Warneke, Jonas; Azov, Vladimir","Relative substituent orientation in the structure of cis-3-chloro-1,3-dimethyl-N-(4-nitrophenyl)-2-oxocyclopentane-1-carboxamide","Acta Crystallographica Section E","2014","70","9","121","123","10.1107/S1600536814017711","","","0.71073","MoKα","","0.0679","0.0459","","","0.1036","0.1138","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239830","9.8512","0.0011","11.561","0.0013","16.945","0.002","88.712","0.003","81.146","0.003","69.421","0.002","1784.1","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","1,5-Diphthalimido-3-[2-(tritylsulfanyl)benzyl]-3-azapentane","2,2'-({[2-(Tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)","","- C46 H37 N3 O4 S -","- C46 H37 N3 O4 S -","- C92 H74 N6 O8 S2 -","2","1","BT6987","Flörke, Ulrich; Neuba, Adam; Ortmeyer, Jochen; Henkel, Gerald","Crystal structure of 2,2'-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)","Acta Crystallographica Section E","2014","70","9","o895","o896","10.1107/S1600536814015554","","","0.71073","MoKα","","0.0644","0.0464","","","0.1023","0.1129","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239831","17.595","0.002","7.3348","0.0008","12.5712","0.0018","90","","99.769","0.006","90","","1598.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N^1^-Phenyl-N^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","HB7248","Faizi, Md. Serajul Haque; Mashrai, Ashraf; Garandal, Saleem; Shahid, M.","Crystal structure of N^1^-phenyl-N^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2014","70","9","o905","o906","10.1107/S1600536814016006","","","0.71073","MoKα","","0.1381","0.0544","","","0.0846","0.1054","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239832","13.1231","0.0003","8.8559","0.0002","19.3702","0.0004","90","","90","","90","","2251.14","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(4-Formylbenzylidene)-4-methylthiosemicarbazone","1-[(4-formylbenzylidene)amino]-3-methylthiourea","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C80 H88 N24 O8 S8 -","8","1","","Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)-4-methylthiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o926","","10.1107/S1600536814016407","","","1.54178","CuKα","","0.0374","0.0344","","","0.0966","0.1004","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239833","5.1","0.0004","12.7455","0.0009","15.13","0.001","90","","90","","90","","983.48","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(8-Methoxy-2H-chromen-3-yl)ethanone","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Koh, Dongsoo","Crystal structure of 1-(8-methoxy-2H-chromen-3-yl)ethanone","Acta Crystallographica Section E","2014","70","9","o936","o937","10.1107/S1600536814016808","","","0.71073","MoKα","","0.0704","0.0414","","","0.0909","0.1483","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239834","12.0017","0.0004","30.2487","0.001","9.3597","0.0003","90","","116.179","0.001","90","","3049.35","0.18","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-Ferrocenyl-2-(4-methylbenzoyl)spiro[11H-pyrrolidizine-3,11'-\ indeno[1,2-b]quinoxaline]","","- C39 H33 Fe N3 O -","- C39 H33 Fe N3 O -","- C156 H132 Fe4 N12 O4 -","4","1","RZ5131","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 1-ferrocenyl-2-(4-methylbenzoyl)spiro[11H-pyrrolidizine-3,11'-indeno[1,2-b]quinoxaline]","Acta Crystallographica Section E","2014","70","9","124","126","10.1107/S1600536814017644","","","0.71073","MoKα","","0.026","0.0242","","","0.0613","0.0624","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239835","7.1826","0.0005","9.2043","0.0006","10.7568","0.0007","91.847","0.007","102.433","0.007","110.191","0.008","647.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-Hydroxy-N'-(3-hydroxybenzylidene)benzohydrazide monohydrate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","SU0006","Harrison, William T. A.; Low, John Nicolson; Wardell, James L.","Crystal structure of (E)-4-hydroxy-N'-(3-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2014","70","9","o891","o892","10.1107/S1600536814011908","","","0.71073","MoKα","","0.0737","0.0442","","","0.093","0.105","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239836","7.5771","0.0009","25.409","0.003","10.1668","0.0012","90","","106.261","0.008","90","","1879.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triclopyr","2-[(3,5,6-Trichloropyridin-2-yl)oxy]acetic acid","","- C7 H4 Cl3 N O3 -","- C7 H4 Cl3 N O3 -","- C56 H32 Cl24 N8 O24 -","8","2","ZS2309","Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho","Crystal structure of triclopyr","Acta Crystallographica Section E","2014","70","9","o940","","10.1107/S160053681401681X","","","0.71073","MoKα","","0.055","0.0441","","","0.0919","0.0956","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239837","6.0391","0.0005","7.2986","0.0006","13.4323","0.0012","98.238","0.006","90.123","0.005","96.429","0.006","582.16","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-6-methylquinoline-3-carboxylate","","- C13 H12 Cl N O2 -","- C13 H12 Cl N O2 -","- C26 H24 Cl2 N2 O4 -","2","1","HB7259","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","Crystal structure of ethyl 2-chloro-6-methylquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","9","o941","","10.1107/S1600536814016900","","","0.71073","MoKα","","0.0314","0.0281","","","0.0758","0.0781","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239838","8.0038","0.0001","8.4322","0.0001","10.6782","0.0002","88.933","0.001","81.008","0.001","66.859","0.001","653.812","0.017","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-(3-fluorophenyl)-3-methylsulfinyl-1- benzofuran","","- C15 H10 Cl F O2 S -","- C15 H10 Cl F O2 S -","- C30 H20 Cl2 F2 O4 S2 -","2","1","ZQ2226","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o991","o992","10.1107/S1600536814017966","","","0.71073","MoKα","","0.0345","0.032","","","0.0839","0.0857","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239839","8.3675","0.0004","8.5812","0.0005","12.2691","0.0005","76.973","0.004","81.053","0.004","76.302","0.005","829.01","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-Bromo-N-(2-bromo-3-nitrobenzyl)-2-nitronaphthalen-1-amine","","- C17 H11 Br2 N3 O4 -","- C17 H11 Br2 N3 O4 -","- C34 H22 Br4 N6 O8 -","2","1","TK5325","Singh, Vijay P.; Venkateshwaran, Krishnan; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of 4-bromo-N-(2-bromo-3-nitrobenzyl)-2-nitronaphthalen-1-amine","Acta Crystallographica Section E","2014","70","9","o960","o961","10.1107/S160053681401719X","","","0.71073","MoKα","","0.1027","0.0533","","","0.1087","0.1287","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239840","3.8182","0.0003","10.8166","0.0007","21.8043","0.0015","90","","91.015","0.004","90","","900.38","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-1,3,4-thiadiazol-2(3H)-one","","- C2 H3 N3 O S -","- C2 H3 N3 O S -","- C16 H24 N24 O8 S8 -","8","2","TK5326","Kim, Namhun; Kang, Sung Kwon","Crystal structure of a monoclinic polymorph of 5-amino-1,3,4-thiadiazol-2(3H)-one","Acta Crystallographica Section E","2014","70","9","o922","","10.1107/S1600536814016055","","","0.71073","MoKα","","0.061","0.0467","","","","0.0993","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239841","7.4385","0.0008","14.3429","0.0016","9.2255","0.001","90","","90","","90","","984.27","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Phenyl(pyridin-2-yl)methanol","","- C12 H11 N O -","- C12 H11 N O -","- C48 H44 N4 O4 -","4","1","SU2760","Kim, Haneol; Kang, Sung Kwon","Crystal structure of phenyl(pyridin-2-yl)methanol","Acta Crystallographica Section E","2014","70","9","o947","","10.1107/S1600536814016857","","","0.71073","MoKα","","0.0861","0.0388","","","","0.084","","","","","","0.808","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239842","4.1538","0.0004","11.3685","0.0011","15.855","0.0016","90","","90","","90","","748.71","0.13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chloro-2-iodoaniline","4-Chloro-2-iodoaniline","","- C6 H5 Cl I N -","- C6 H5 Cl I N -","- C24 H20 Cl4 I4 N4 -","4","1","JJ2191","Quinn, Taylor R.; Tanski, Joseph M.","Crystal structure of 4-chloro-2-iodoaniline","Acta Crystallographica Section E","2014","70","9","o944","o945","10.1107/S1600536814016869","","","0.71073","MoKα","","0.0382","0.0292","","","0.0508","0.0534","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239843","8.5298","0.0011","9.1422","0.0016","11.0268","0.0013","101.377","0.012","102.102","0.01","104.457","0.013","785.3","0.2","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 3-anilino-2-{[bis(methylsulfanyl)methylidene]amino}-3-oxopropanoate","","- C14 H18 N2 O3 S2 -","- C14 H18 N2 O3 S2 -","- C28 H36 N4 O6 S4 -","2","1","BT6988","López-Rodríguez, A. Kémish; Lira-Rocha, Alfonso; Flores-Alamo, Marcos","Crystal structure of ethyl 3-anilino-2-{[bis(methylsulfanyl)methylidene]amino}-3-oxopropanoate","Acta Crystallographica Section E","2014","70","9","o930","o931","10.1107/S1600536814016560","","","0.71073","MoKα","","0.0487","0.0386","","","0.0921","0.1006","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239844","7.4022","0.0002","10.939","0.0003","12.65","0.0004","90","","99.908","0.001","90","","1009.03","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate","","- C20 H20 N2 O8 S2 -","- C20 H20 N2 O8 S2 -","- C40 H40 N4 O16 S4 -","2","0.5","SU2764","Çevik, Sabri; Sarı, Musa; Sarı, Murat; Tunç, Tuncay","Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate","Acta Crystallographica Section E","2014","70","9","o989","o990","10.1107/S160053681401784X","","","0.71073","MoKα","","0.0379","0.0349","","","0.0997","0.1032","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239845","10.3961","0.0005","10.8565","0.0006","16.1431","0.0007","84.704","0.004","76.223","0.004","68.249","0.005","1643.57","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1H-pyrazole‒5-(4-fluorophenyl)-1H-pyrazole (1/1)","","- C9 H7 F N2 -","- C9 H7 F N2 -","- C72 H56 F8 N16 -","8","4","BT6989","Yamuna, Thammarse S.; Kaur, Manpreet; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.","Two tautomers in the same crystal: 3-(4-fluorophenyl)-1H-pyrazole and 5-(4-fluorophenyl)-1H-pyrazole","Acta Crystallographica Section E","2014","70","9","o949","o950","10.1107/S160053681401695X","","","1.54184","CuKα","","0.0551","0.044","","","0.1128","0.122","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239846","9.2116","0.0009","5.5052","0.0004","10.2279","0.0008","90","","107.411","0.009","90","","494.91","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanol","","- C9 H6 F3 N O S -","- C9 H6 F3 N O S -","- C18 H12 F6 N2 O2 S2 -","2","1","LH5717","Shishkina, Svitlana V.; Kucher, Olexandr V.; Kolodiazhnaya, Anastasiya O.; Smolii, Oleg B.; Tolmachev, Andrey A.","Crystal structure of (S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol","Acta Crystallographica Section E","2014","70","9","o946","","10.1107/S1600536814016547","","","0.71073","MoKα","","0.053","0.0417","","","0.1003","0.1075","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239847","7.6533","0.0004","11.4822","0.0007","23.2906","0.0014","90","","94.351","0.001","90","","2040.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-4-(1H-indol-3-yl)-6-phenylpyridine-3-carbonitrile","","- C26 H16 Cl N3 -","- C26 H16 Cl N3 -","- C104 H64 Cl4 N12 -","4","1","HB7263","Vishnupriya, R.; Suresh, J.; Gunasekaran, Pethaiah; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 2-(4-chlorophenyl)-4-(1H-indol-3-yl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o978","","10.1107/S1600536814017693","","","0.71073","MoKα","","0.0729","0.0509","","","0.1275","0.1455","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239848","13.3826","0.0002","9.4258","0.0001","13.5762","0.0002","90","","99.453","0.001","90","","1689.27","0.04","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","2-Amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate","","- C3 H8 Cl N3 O S2 -","- C3 H8 Cl N3 O S2 -","- C24 H64 Cl8 N24 O8 S16 -","8","2","SU2749","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2014","70","9","o913","o914","10.1107/S1600536814015864","","","0.7107","MoKα","","0.0231","0.0204","","","0.0531","0.0542","","","","","","1.122","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239849","11.6172","0.0006","8.4086","0.0005","30.0002","0.0016","90","","90","","90","","2930.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","","- C15 H11 F2 N3 O2 S -","- C15 H11 F2 N3 O2 S -","- C120 H88 F16 N24 O16 S8 -","8","1","HB7245","Firdausiah, Syadza; Salleh Huddin, Ameera Aqeela; Hasbullah, Siti Aishah; Yamin, Bohari M.; Yusoff, Siti Fairus M.","Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","Acta Crystallographica Section E","2014","70","9","o915","o916","10.1107/S1600536814015761","","","0.71073","MoKα","","0.0802","0.0463","","","0.0873","0.0989","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239850","11.8536","0.0005","12.4293","0.0003","11.9492","0.0005","90","","118.584","0.005","90","","1545.92","0.12","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-(2-Nitrobenzylidene)-2,2-diphenylhydrazine","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Flores-Alamo, Marcos; Meléndrez-Luévano, Ruth; Ortiz Márquez, José A.; Sansinenea Royano, Estibaliz; Cabrera-Vivas, Blanca M.","Crystal structure of (E)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2014","70","9","o909","o910","10.1107/S1600536814016109","","","0.71073","MoKα","","0.0542","0.0419","","","0.1027","0.1126","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239851","4.842","0.0002","9.7407","0.0007","10.7071","0.0008","73.917","0.009","82.819","0.01","75.98","0.009","469.87","0.06","100","","100","2","","","","","","","","4","P -1","-P 1","2","","2-Cyano-N'-(cyclohexylidene)acetohydrazide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C18 H26 N6 O2 -","2","1","","Harrison, William T. A.; Al-Sakka, Ola K.; Fleita, Daisy H.; Saleh, Amina; Salem, Sara","Crystal structure of 2-cyano-N'-(cyclohexylidene)acetohydrazide","Acta Crystallographica Section E","2014","70","9","o886","","10.1107/S1600536814009350","","","0.71073","MoKα","","0.0429","0.0351","","","0.0964","0.1006","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239852","6.17","0.0012","11.051","0.002","37.526","0.008","90","","90","","90","","2558.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methoxyphenyl)ethanone O-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbonyl]oxime","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","LR2129","Rao, Xiao-Ping; Cui, Yan-Jie; Zheng, Jian-Qiang","Crystal structure of (E)-1-(4-methoxyphenyl)ethanone O-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o948","","10.1107/S1600536814016882","","","0.71073","MoKα","","0.1579","0.0783","","","0.1517","0.1833","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239853","5.5891","0.0004","7.5232","0.0005","11.9525","0.0008","77.093","0.003","88.445","0.004","87.59","0.004","489.37","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","6,13-Bis[(pyridin-4-yl)methyl]-6,13-diazatetracyclo[6.6.2.0^4,16^0^11,15^]hexadeca-1,3,8,10,15-pantaene-5,7,12,14-tetrone","","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","- C26 H16 N4 O4 -","1","0.5","XU5806","Nicolas-Gomez, Mariana; Martínez-Otero, Diego; Dorazco-González, Alejandro","Crystal structure of N,N'-bis[(pyridin-4-yl)methyl]naphthalene diimide","Acta Crystallographica Section E","2014","70","9","o985","o986","10.1107/S1600536814017917","","","1.54178","CuKα","","0.0386","0.0371","","","0.1033","0.1056","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239854","9.4606","0.0003","9.7999","0.0003","11.1155","0.0004","90","","90","","90","","1030.55","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-tert-Butyl-1,3-thiazolo[4,5-b]pyridine","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.","Crystal structure of 2-tert-butyl-1,3-thiazolo[4,5-b]pyridine","Acta Crystallographica Section E","2014","70","9","o932","","10.1107/S160053681401633X","","","1.54184","CuKα","","0.0333","0.0328","","","0.089","0.0897","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239855","9.6314","0.0014","23.749","0.004","8.8155","0.0014","90","","104.117","0.004","90","","1955.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(diethoxyphosphoryl)-2-(2,3,4-trimethoxyphenyl)acetate","","- C17 H27 O8 P -","- C17 H27 O8 P -","- C68 H108 O32 P4 -","4","1","HB7246","Schubert, Moritz; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Crystal structure of ethyl 2-(diethoxyphosphoryl)-2-(2,3,4-trimethoxyphenyl)acetate","Acta Crystallographica Section E","2014","70","9","o897","o898","10.1107/S1600536814015803","","","0.71073","MoKα","","0.0768","0.0534","","","0.1242","0.1366","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239856","5.4984","0.0001","7.3585","0.0002","16.6265","0.0004","91.329","0.0009","97.325","0.001","99.562","0.001","657.27","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","SU2759","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Ahmed, Eman A.; Albayati, Mustafa R.","Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate","Acta Crystallographica Section E","2014","70","9","o938","o939","10.1107/S1600536814016766","","","1.54178","CuKα","","0.0386","0.033","","","0.0847","0.0887","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239857","12.3888","0.0009","11.7972","0.0008","14.9428","0.0011","90","","110.286","0.001","90","","2048.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Formylbenzylidene)thiosemicarbazone","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C72 H72 N24 O8 S8 -","8","2","","Carballo, Rosa; Pino-Cuevas, Arantxa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)thiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o970","","10.1107/S1600536814017255","","","0.71073","MoKα","","0.0683","0.0399","","","0.0968","0.1192","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239858","12.8736","0.0004","8.7682","0.0003","17.453","0.0005","90","","105.222","0.002","90","","1900.95","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-hydroxido-bis{[N,N'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1-)]zinc}","","- C42 H52 N4 O2 Zn2 -","- C42 H52 N4 O2 Zn2 -","- C84 H104 N8 O4 Zn4 -","2","0.5","","Goodner, Joshua A.; Powers, Brandon J.; Powell, Douglas R.; Yang, Lei","Crystal structure of di-μ-hydroxido-bis{[N,N'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1‒)]zinc}","Acta Crystallographica Section E","2014","70","9","m320","m321","10.1107/S160053681401736X","","","0.71073","MoKα","","0.0297","0.0285","","","0.0779","0.0789","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239859","7.8128","0.0007","8.4641","0.0007","14.7427","0.0014","79.513","0.007","83.861","0.007","77.076","0.007","932.11","0.15","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-(4-Methoxystyryl)-2,3-dihydro-1H-perimidine acetonitrile monosolvate","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C44 H42 N6 O2 -","2","1","SU2762","Manimekalai, A.; Vijayalakshmi, N.; Selvanayagam, S.","Crystal structure of (E)-2-(4-methoxystyryl)-2,3-dihydro-1H-perimidine acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","9","o959","","10.1107/S1600536814017000","","","1.54184","CuKα","","0.0549","0.0475","","","0.1338","0.142","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239860","14.3394","0.0012","10.0089","0.0016","29.562","0.003","90","","90","","90","","4242.8","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","","- C18 H35 N3 P2 -","- C18 H35 N3 P2 -","- C144 H280 N24 P16 -","8","1","SU0004","Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl","Crystal structure of N,N'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","Acta Crystallographica Section E","2014","70","9","o889","o890","10.1107/S1600536814010976","","","0.71073","MoKα","","0.0499","0.0311","","","0.0434","0.0457","","","","","","1.39","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2239861","7.2491","0.0009","7.991","0.0009","10.5039","0.0013","111.954","0.006","106.411","0.006","90.111","0.006","537.38","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine","","- C9 H5 Cl3 N4 -","- C9 H5 Cl3 N4 -","- C18 H10 Cl6 N8 -","2","1","HG5398","Jeon, Youngeun; Kim, Jineun; Kang, Gihang; Kim, Tae Ho","Crystal structure of anilazine","Acta Crystallographica Section E","2014","70","9","o923","","10.1107/S160053681401647X","","","0.71073","MoKα","","0.0381","0.034","","","0.0825","0.0865","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239862","10.47","0.005","21.353","0.005","9.292","0.005","90","","107.71","0.005","90","","1978.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Bromophenyl)-4-(1H-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile","","- C24 H14 Br N3 S -","- C24 H14 Br N3 S -","- C96 H56 Br4 N12 S4 -","4","1","HB7260","Vishnupriya, R.; Suresh, J.; Bharkavi, Shanmugavel; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 2-(2-bromophenyl)-4-(1H-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o968","o969","10.1107/S1600536814017188","","","0.71073","MoKα","","0.0851","0.0457","","","0.1051","0.1207","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239863","6.6773","0.0006","6.9433","0.0004","9.5135","0.0005","102.635","0.006","107.539","0.005","99.462","0.009","397.61","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-Tetrakis[(methylsulfanyl)methyl]pyrazine","","- C12 H20 N2 S4 -","- C12 H20 N2 S4 -","- C12 H20 N2 S4 -","1","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Crystal structure of 2,3,5,6-tetrakis[(methylsulfanyl)methyl]pyrazine","Acta Crystallographica Section E","2014","70","9","o887","o888","10.1107/S1600536814011246","","","0.71073","MoKα","","0.0383","0.0321","","","0.0831","0.088","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239864","6.62","0.003","9.243","0.004","11.07","0.004","90","","90.718","0.006","90","","677.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-hydroxyquinoline","8-Hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","RK2430","Castañeda, Raúl; Antal, Sofia A.; Draguta, Sergiu; Timofeeva, Tatiana V.; Khrustalev, Victor N.","Crystal structure of 8-hydroxyquinoline: a new monoclinic polymorph","Acta Crystallographica Section E","2014","70","9","o924","o925","10.1107/S1600536814016110","","","0.71073","MoKα","","0.0468","0.0386","","","0.1055","0.1093","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239865","15.7272","0.0007","11.5164","0.0005","11.4048","0.0005","90","","99.005","0.004","90","","2040.19","0.16","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aqua(2,2':6',2''-terpyridine-κ^3^N,N',N'')cobalt(II)]-μ-cyanido-κ^2^N:C-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^C:N]","","- C19 H13 Co N7 O Pt -","- C19 H13 Co N7 O Pt -","- C76 H52 Co4 N28 O4 Pt4 -","4","0.5","","White, Frankie; Sykora, Richard E.","Crystal structure of catena-poly[[aqua(2,2':6',2''-terpyridine-κ^3^N,N',N'')cobalt(II)]-μ-cyanido-κ^2^N:C-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^C:N]","Acta Crystallographica Section E","2014","70","9","m322","m323","10.1107/S1600536814017425","","","0.71073","MoKα","","0.0545","0.0338","","","0.0763","0.0907","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239866","7.723","0.0003","11.6834","0.0005","13.4582","0.0005","69.872","0.002","88.159","0.002","83.841","0.002","1133.58","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate N,N-dimethylformamide monosolvate","","- C20 H28 Cl N2 O5 P -","- C20 H28 Cl N2 O5 P -","- C40 H56 Cl2 N4 O10 P2 -","2","1","","Wang, Qing-Ming; Zhu, Ming-Juan; Yang, Jin-Ming; Wang, Shan-Shan; Shang, Yan-Fang","Crystal structure of diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","9","o919","o920","10.1107/S1600536814016626","","","0.71073","MoKα","","0.0733","0.057","","","0.1584","0.1744","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239867","7.481","0.003","9.076","0.004","19.021","0.008","90","","95.471","0.005","90","","1285.6","0.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,6-Bis[(1H-pyrazol-1-yl)methyl]pyridine","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","IS5371","Son, Kyung-sun; Woo, Jeong Oh; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 2,6-bis[(1H-pyrazol-1-yl)methyl]pyridine","Acta Crystallographica Section E","2014","70","9","o973","","10.1107/S1600536814017474","","","0.71073","MoKα","","0.0869","0.0604","","","","0.1489","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239868","7.1774","0.0008","15.7931","0.0016","10.7901","0.0011","90","","101.798","0.006","90","","1197.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1H-imidazole","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","LH5721","Alliouche, Hayette; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","Crystal structure of 1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1H-imidazole","Acta Crystallographica Section E","2014","70","9","o962","o963","10.1107/S1600536814017243","","","0.71073","MoKα","","0.0377","0.0352","","","0.0923","0.0944","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239869","13.5223","0.0004","6.23222","0.00015","22.2941","0.0006","90","","106.15","0.003","90","","1804.67","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","HB7258","Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Yamuna, Thammarse S.; Byrappa, K.","Crystal structure of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide","Acta Crystallographica Section E","2014","70","9","o951","o952","10.1107/S1600536814016948","","","1.54184","CuKα","","0.0421","0.0368","","","0.1004","0.1053","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239870","12.9805","0.0007","13.2085","0.0008","16.7175","0.001","105.713","0.002","103.367","0.002","91.051","0.002","2674.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one","","- C21 H15 Cl2 N5 O4 -","- C21 H15 Cl2 N5 O4 -","- C84 H60 Cl8 N20 O16 -","4","2","SU2757","Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 5-amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvent molecule","Acta Crystallographica Section E","2014","70","9","o971","o972","10.1107/S1600536814017486","","","0.71073","MoKα","","0.0916","0.0583","","","0.1685","0.1805","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239871","18.9343","0.0011","11.6347","0.0006","20.98","0.0012","90","","92.511","0.002","90","","4617.3","0.4","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[4-(2-Methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone","","- C26 H18 F3 N3 O2 S -","- C26 H18 F3 N3 O2 S -","- C208 H144 F24 N24 O16 S8 -","8","1","HG5397","Rajni Swamy, V.; Gunasekaran, P.; Krishnakumar, R. V.; Srinivasan, N.; Müller, P.","Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2014","70","9","o974","o975","10.1107/S1600536814017437","","","0.71073","MoKα","","0.075","0.0475","","","0.1191","0.1384","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239872","9.9006","0.0016","10.5544","0.0017","12.448","0.003","109.197","0.005","100.205","0.005","108.94","0.003","1101.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Tris[μ-(η^5^:η^5^)-1,1'-bicyclopentadienyl]triiron(II)","","- C30 H24 Fe3 -","- C30 H24 Fe3 -","- C60 H48 Fe6 -","2","1","","Shekurov, Ruslan; Miluykov, Vasili; Kataeva, Olga; Tufatullin, Artem; Sinyashin, Oleg","Crystal structure of cyclic tris(ferrocene-1,1'-diyl)","Acta Crystallographica Section E","2014","70","9","m318","m319","10.1107/S1600536814017346","","","0.71073","MoKα","","0.0799","0.0512","","","0.0724","0.0761","","","","","","1.311","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239873","5.308","0.003","7.709","0.004","14.109","0.007","96.911","0.008","99.21","0.008","90.511","0.009","565.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Methoxy-N-phenylbenzamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C28 H26 N2 O4 -","2","1","","Wang, Zhijun; Lei, Haiying; Jin, Linhua; Zhu, Ruitao","Crystal structure of 4-methoxy-N-phenylbenzamide","Acta Crystallographica Section E","2014","70","9","o921","","10.1107/S1600536814016420","","","0.71073","MoKα","","0.0478","0.0356","","","0.0872","0.0974","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239874","16.4498","0.0017","6.0691","0.0004","21.605","0.003","90","","93.885","0.009","90","","2152","0.4","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,5-Bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","","- C18 H16 Cl6 N4 -","- C18 H16 Cl6 N4 -","- C72 H64 Cl24 N16 -","4","0.5","","Schmitt, Laurette; Stoeckli-Evans, Helen","Crystal structure of 2,5-bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","Acta Crystallographica Section E","2014","70","9","o893","o894","10.1107/S1600536814009544","","","0.71073","MoKα","","0.045","0.0402","","","0.1086","0.112","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239875","7.94506","0.00013","10.17919","0.00016","14.8052","0.0003","90","","90","","90","","1197.36","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(prop-2-ynyloxy)-TEMPO","4-(Prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C48 H80 N4 O8 -","4","1","HB7267","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structure of 4-(prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","Acta Crystallographica Section E","2014","70","9","130","133","10.1107/S1600536814017991","","","1.54184","CuKα","","0.0485","0.043","","","0.1207","0.1229","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239876","28.804","0.006","6.176","0.0012","13.922","0.003","90","","90","","90","","2476.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Chlorophenyl)ethanone O-dehydroabietyloxime","","- C28 H34 Cl N O2 -","- C28 H34 Cl N O2 -","- C112 H136 Cl4 N4 O8 -","4","1","HB7249","Zheng, Jian-Qiang; Cui, Yan-Jie; Rao, Xiao-Ping","Crystal structure of (E)-1-(4-chlorophenyl)ethanone O-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o899","o900","10.1107/S1600536814015888","","","0.71073","MoKα","","0.1368","0.0692","","","0.1591","0.2051","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239877","8.2023","0.0001","10.6312","0.0002","10.8957","0.0002","117.523","0.001","93.095","0.001","103.166","0.001","806.36","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","","- C15 H14 Cl N3 O3 S -","- C15 H14 Cl N3 O3 S -","- C30 H28 Cl2 N6 O6 S2 -","2","1","HB7261","Chicha, Hakima; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of N-(3-chloro-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o983","o984","10.1107/S1600536814017747","","","0.71073","MoKα","","0.0484","0.0382","","","0.1074","0.116","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239878","11.432","0.002","7.6567","0.0014","10.115","0.002","90","","98.688","0.007","90","","875.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Hydroxyphenyl)succinimide","1-(3-Hydroxyphenyl)pyrrolidine-2,5-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","SU2752","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Sreenivasa, S.","Crystal structure of N-(3-hydroxyphenyl)succinimide","Acta Crystallographica Section E","2014","70","9","o927","","10.1107/S1600536814016328","","","1.54178","CuKα","","0.046","0.044","","","0.126","0.1397","","","","","","1.199","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239879","8.5649","0.0003","9.4364","0.0003","10.8051","0.0004","88.838","0.003","87.482","0.003","82.843","0.003","865.55","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","Allylammonium hydrogen succinate","","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C28 H52 N4 O16 -","4","2","BG2532","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of allylammonium hydrogen succinate at 100K","Acta Crystallographica Section E","2014","70","9","o917","o918","10.1107/S1600536814015633","","","0.71073","MoKα","","0.0482","0.0359","","","0.0896","0.0928","","","","","","1.097","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239880","11.4621","0.0008","16.9351","0.0011","12.2704","0.0009","90","","97.478","0.006","90","","2361.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-1-(3,4-Dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(p-tolyl)methylidene]-1H-pyrrol-5(4H)-one","","- C28 H21 Cl2 N3 O -","- C28 H21 Cl2 N3 O -","- C112 H84 Cl8 N12 O4 -","4","1","","Sharma, Naresh; Parihar, Sanjay; Jadeja, R.N.; Kant, Rajni; Gupta, Vivek K.","Crystal structure of (Z)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(p-tolyl)methylidene]-1H-pyrrol-5(4H)-one","Acta Crystallographica Section E","2014","70","9","o955","o956","10.1107/S1600536814017140","","","0.71073","MoKα","","0.0942","0.0514","","","0.1106","0.1374","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239881","10.5345","0.0004","10.8341","0.0004","21.8169","0.001","97.241","0.002","92.12","0.002","118.901","0.002","2148.72","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-[(E)-4-Benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate","","- C22 H26.5 N3.5 O2 S -","- C22 H26.5 N3.5 O2 S -","- C88 H106 N14 O8 S4 -","4","2","","Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate","Acta Crystallographica Section E","2014","70","9","o987","o988","10.1107/S1600536814017905","","","0.71073","MoKα","","0.0653","0.0456","","","0.1197","0.1357","","","","","","1.029","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2239882","12.9549","0.0005","14.528","0.0005","13.8522","0.0004","90","","100.433","0.002","90","","2564","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-methoxy-11-(4-methoxyphenyl)-16-methyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","HB7257","Vinayagam, V.; Bakthadoss, M.; Murugavel, S.; Manikandan, N.","Crystal structure of methyl 6-methoxy-11-(4-methoxyphenyl)-16-methyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","Acta Crystallographica Section E","2014","70","9","127","129","10.1107/S1600536814017929","","","0.71073","MoKα","","0.0518","0.0368","","","0.0889","0.0983","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239883","7.8781","0.0007","8.6928","0.0007","11.0999","0.001","67.361","0.004","78.21","0.004","77.119","0.004","677.97","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","3-({[(Thiophen-2-yl)methylidene]hydrazinyl}carbonyl)pyridinium chloride dihydrate","","- C11 H14 Cl N3 O3 S -","- C11 H14 Cl N3 O3 S -","- C22 H28 Cl2 N6 O6 S2 -","2","1","WM5042","Chandrasekaran, Thangayyah; Suresh, Mani; Josephine Novina, John; Syed Ali Padusha, Mohamed Khan; Vasuki, Gopalsamy; Kasthuri, Balasubramani","Crystal structure of 3-({[(thiophen-2-yl)methylidene]hydrazinyl}carbonyl)pyridinium chloride dihydrate","Acta Crystallographica Section E","2014","70","9","o976","o977","10.1107/S1600536814017565","","","0.71073","MoKα","","0.0423","0.0366","","","0.1132","0.1194","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239884","5.6744","0.0007","22.384","0.003","5.9991","0.0007","90","","105.372","0.012","90","","734.72","0.16","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N^1^-Benzyl-N^1^,N^2^,N^2^-trimethylethane-1,2-diaminium dichloride","","- C12 H22 Cl2 N2 -","- C12 H22 Cl2 N2 -","- C24 H44 Cl4 N4 -","2","1","HB7244","Singh, Pushpendra; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of N^1^-benzyl-N^1^,N^2^,N^2^-trimethylethane-1,2-diaminium dichloride","Acta Crystallographica Section E","2014","70","9","o911","o912","10.1107/S1600536814015797","","","1.54178","CuKα","","0.083","0.0823","","","0.2283","0.229","","","","","","1.125","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239885","7.512","0.004","9.759","0.005","9.811","0.005","76.071","0.01","72.021","0.01","86.037","0.01","664","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate","","- C14 H14 Cl N O4 -","- C14 H14 Cl N O4 -","- C28 H28 Cl2 N2 O8 -","2","1","HG5402","Hayour, Hasna; Bouraiou, Abdelmalek; Bouacida, Sofiane; Benzerka, Saida; Belfaitah, Ali","Crystal structure of ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate","Acta Crystallographica Section E","2014","70","9","o964","o965","10.1107/S1600536814017309","","","0.71073","MoKα","","0.0498","0.0358","","","0.0936","0.1027","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239886","11.1696","0.0017","16.161","0.002","16.004","0.002","90","","93.458","0.003","90","","2883.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[aqua[μ-1,1'-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-\ imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]","","- C33 H26 N4 Ni O5 -","- C33 H26 N4 Ni O5 -","- C132 H104 N16 Ni4 O20 -","4","1","NC2327","Zou, Hengye; Qi, Yanjuan","Crystal structure of poly[aqua[μ-1,1'-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]","Acta Crystallographica Section E","2014","70","9","m324","m325","10.1107/S1600536814017681","","","0.71073","MoKα","","0.0969","0.058","","","0.1449","0.1668","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239887","5.8231","0.0003","14.3214","0.0006","21.7365","0.0008","90","","90","","90","","1812.71","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethylquinazoline-4(3H)-thione","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 2-ethylquinazoline-4(3H)-thione","Acta Crystallographica Section E","2014","70","9","o953","","10.1107/S160053681401664X","","","0.71073","MoKα","","0.0375","0.0325","","","0.0834","0.0868","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239888","7.9339","0.0018","8.1994","0.0019","10.452","0.003","68.877","0.017","75.037","0.017","76.182","0.017","604.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-2-[(E)-2-(2-methoxphenyl)ethenyl]-4-nitro-1H-imidazole","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","HG5400","Alliouche, Hayette; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali","Crystal structure of (E)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1H-imidazole","Acta Crystallographica Section E","2014","70","9","o966","o967","10.1107/S1600536814017206","","","0.71073","MoKα","","0.1151","0.0877","","","0.2476","0.2819","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239889","9.0839","0.0003","15.5367","0.0006","11.3161","0.0005","90","","104.324","0.004","90","","1547.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N^1^-Benzyl-N^1^,N^2^,N^2^-trimethylethane-1,2-diamine-κ^2^N,N')dichloridomercury(II)","","- C12 H20 Cl2 Hg N2 -","- C12 H20 Cl2 Hg N2 -","- C48 H80 Cl8 Hg4 N8 -","4","1","WM5031","Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of (N1-benzyl-N1,N2,N2-trimethylethane-1,2-diamine-κ2N,N′)dichloridomercury(II)","Acta Crystallographica Section E Structure Reports Online","2014","70","9","118","","10.1107/S1600536814017516","","","0.71073","MoKα","","0.0906","0.0439","","","0.0632","0.0737","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239890","9.6793","0.0007","16.3059","0.0012","11.9205","0.0008","90","","106.128","0.002","90","","1807.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","SU2750","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Perumal, Paramasivam T.","Crystal structure of 4-(4-methoxyphenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one","Acta Crystallographica Section E","2014","70","9","o901","o902","10.1107/S160053681401589X","","","0.71073","MoKα","","0.0732","0.0426","","","0.1128","0.14","","","","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239891","8.2139","0.0001","11.6117","0.0002","13.882","0.0002","90","","90","","90","","1324.03","0.03","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-3-Menthone thiosemicarbazone","(E)-2-[(2S,5R)-2-Isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","","- C11 H21 N3 S -","- C11 H21 N3 S -","- C44 H84 N12 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira; de Godoy Netto, Adelino Vieira","Crystal structure of (E)-2-[(2S,5R)-2-isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2014","70","9","o903","o904","10.1107/S1600536814015980","","","0.71073","MoKα","","0.0283","0.0246","","","0.0575","0.0595","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239892","6.134","0.0001","23.0602","0.0005","10.8806","0.0002","90","","91.166","0.001","90","","1538.76","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-bromo-2-(3-fluorophenyl)-1-(methylsulfinyl) naphtho[2,1-b]furan","","- C19 H12 Br F O2 S -","- C19.002 H12 Br F O2 S -","- C76.008 H48 Br4 F4 O8 S4 -","4","1","TK5335","Choi, Hong Dae; Lee, Uk","Crystal structure of 7-bromo-2-(3-fluorophenyl)-1-(methylsulfinyl)naphtho[2,1-b]furan","Acta Crystallographica Section E","2014","70","9","o1001","o1002","10.1107/S160053681401808X","","","0.71073","MoKα","","0.054","0.037","","","0.0907","0.0976","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239893","13.03","0.003","11.9","0.003","8.331","0.002","90","","95.409","0.003","90","","1286","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-Benzylidene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide","","- C13 H12 N4 O3 -","- C13 H12 N4 O3 -","- C52 H48 N16 O12 -","4","1","BT6990","Wang, Zhijun; Zhou, Chengyong; Yan, Lei; Wang, Jinglin","Crystal structure of (E)-N'-benzylidene-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2014","70","9","o995","","10.1107/S1600536814018054","","","0.71073","MoKα","","0.0887","0.0466","","","0.1078","0.1352","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239894","4.8041","0.0007","10.8564","0.0015","10.3862","0.0015","90","","101.067","0.002","90","","531.62","0.13","294","2","294","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-Sulfamoylanilinium dihydrogen phosphate","","- C6 H11 N2 O6 P S -","- C6 H11 N2 O6 P S -","- C12 H22 N4 O12 P2 S2 -","2","1","HB7251","Muthuselvi, C.; Mala, N.; Srinivasan, N.; Pandiarajan, S.; Krishnakumar, R. V.","Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate","Acta Crystallographica Section E","2014","70","9","o997","o998","10.1107/S1600536814017462","","","0.71073","MoKα","","0.0211","0.021","","","0.0553","0.0554","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239895","8.2009","0.0007","9.2917","0.0008","18.2684","0.0015","90","","96.322","0.002","90","","1383.6","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(3,4-Dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Yoo, Jin Sil; Lim, Yoongho; Koh, Dongsoo","Crystal structure of 2-(3,4-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one","Acta Crystallographica Section E","2014","70","9","o999","o1000","10.1107/S1600536814018212","","","0.71073","MoKα","","0.0901","0.0528","","","0.1277","0.2037","","","","","","1.197","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239896","10.687","0.002","15.264","0.003","12.242","0.003","90","","102.808","0.006","90","","1947.3","0.7","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate","","- C19 H13 F3 O3 S Te2 -","- C19 H13 F3 O3 S Te2 -","- C76 H52 F12 O12 S4 Te8 -","4","1","TK5334","Diamond, Louise M.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Crystal structure of 2-phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","9","o1003","o1004","10.1107/S1600536814018170","","","0.71075","MoKα","","0.0493","0.0409","","","0.0942","0.0998","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239897","3.858","0.0018","6.054","0.004","37.268","0.013","90","","90.39","0.04","90","","870.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Bromo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 7-bromo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","9","o996","","10.1107/S1600536814018108","","","0.71069","MoKα","","","0.0376","","","","0.1089","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239898","12.8494","0.0008","8.1434","0.0005","15.5918","0.001","90","","98.926","0.002","90","","1611.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(acetato-κO)diaqua(2,2'-bipyridine-κ^2^N,N')manganese(II)","","- C14 H18 Mn N2 O6 -","- C14 H18 Mn N2 O6 -","- C56 H72 Mn4 N8 O24 -","4","1","GW2147","Saravanan, Natarajan; Selvam, Parasuraman","Crystal structure of bis(acetato-κO)diaqua(2,2'-bipyridine-κ^2^N,N')manganese(II)","Acta Crystallographica Section E","2014","70","9","m326","m327","10.1107/S1600536814017814","","","0.71073","MoKα","","0.0349","0.0285","","","0.0706","0.0756","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239899","11.8435","0.0005","13.947","0.0007","14.009","0.0007","102.568","0.004","111.4","0.005","108.583","0.005","1890.4","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","Di-μ-benzato-κ^4^O:O'-bis[aqua(benzato-κO)(benzato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N,N',N'')europium(III)]‒benzoic acid (1/2)","","- C86 H68 Eu2 N6 O18 -","- C86 H68 Eu2 N6 O18 -","- C86 H68 Eu2 N6 O18 -","1","0.5","","White, Frankie; Sykora, Richard E.","Crystal structure of di-μ-benzato-κ^4^O:O'-bis[aqua(benzato-κO)(benzato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N,N',N'')europium(III)]‒benzoic acid (1/2)","Acta Crystallographica Section E","2014","70","9","m328","m329","10.1107/S1600536814018182","","","0.71073","MoKα","","0.0511","0.039","","","0.0653","0.07","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239900","5.373","0.005","7.575","0.007","14.127","0.012","75.83","0.04","87.73","0.03","72.99","0.03","532.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(4-chloroanilino)acetate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C20 H24 Cl2 N2 O4 -","2","1","HB7269","Bouali, Jamila; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; Ketatni, El Mostafa","Crystal structure of ethyl 2-(4-chloroanilino)acetate","Acta Crystallographica Section E","2014","70","9","o1017","","10.1107/S1600536814018297","","","0.71073","MoKα","","0.0665","0.0462","","","0.1219","0.1361","","","","","","1.034","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239901","9.7888","0.0002","16.9476","0.0003","12.2863","0.0003","90","","90.6654","0.0019","90","","2038.12","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(E)-(2-hydroxybenzylidene)amino]acetamide","","- C22 H19 Cl N2 O3 S -","- C22 H19 Cl N2 O3 S -","- C88 H76 Cl4 N8 O12 S4 -","4","1","ZS2311","Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K.","Crystal structure of N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(E)-(2-hydroxybenzylidene)amino]acetamide","Acta Crystallographica Section E","2014","70","9","o1011","o1012","10.1107/S1600536814018224","","","1.54184","CuKα","","0.0423","0.0366","","","0.0977","0.1024","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239902","9.4557","0.0004","16.6411","0.0007","8.4319","0.0003","90","","105.644","0.002","90","","1277.64","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (E)-4-(4-chlorophenyl)-4-methoxy-2-oxobut-3-enoate","","- C13 H13 Cl O4 -","- C13 H13 Cl O4 -","- C52 H52 Cl4 O16 -","4","1","TK5332","Flores, Darlene Correia; de Vicenti, Juliano Rosa; Pereira, Bruna Ávila; da Silva, Gabriele Marques Dias; Zambiazi, Priscilla Jussiane","Crystal structure of ethyl (E)-4-(4-chlorophenyl)-4-methoxy-2-oxobut-3-enoate","Acta Crystallographica Section E","2014","70","9","o1025","","10.1107/S1600536814017280","","","0.71073","MoKα","","0.0536","0.045","","","0.1256","0.1354","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239903","16.032","0.004","12.605","0.004","17.259","0.005","90","","99.033","0.007","90","","3444.5","1.7","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)","4-{[4-(3-{1-[(pyridin-4-yl)carbonyl]piperidin-4-yl}propyl)piperidin-1-yl]carbonyl}pyridine‒4,4'-oxydibenzoic acid (1/1)","","- C39 H42 N4 O7 -","- C39 H42 N4 O7 -","- C156 H168 N16 O28 -","4","1","","Low, Emily M.; LaDuca, Robert L.","Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒4,4'-oxydibenzoic acid (1/1)","Acta Crystallographica Section E","2014","70","9","o1022","","10.1107/S160053681401811X","","","0.71073","MoKα","","0.1168","0.0552","","","0.1217","0.1533","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239904","13.4821","0.0009","6.8479","0.0004","18.4895","0.0012","90","","100.443","0.006","90","","1678.75","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(E)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1H-1,2,4-triazole-5(4H)-thione","","- C17 H15 Cl N4 S -","- C17 H15 Cl N4 S -","- C68 H60 Cl4 N16 S4 -","4","1","","Kamni; Sarojini, B. K.; Manjula, P. S.; Narayana, B.; Anthal, Sumati; Kant, Rajni","Crystal structure of 4-[(E)-(4-chlorobenzylidene)amino]-3-(2-methylbenzyl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2014","70","9","o1015","o1016","10.1107/S1600536814018352","","","0.71073","MoKα","","0.0757","0.0447","","","0.0963","0.1154","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239905","5.8326","0.0002","17.8578","0.0006","15.6469","0.0005","90","","91.136","0.003","90","","1629.42","0.09","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-[4-(1-Methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","BG2534","Assia, Sid; Amel, Messai; Nouara, Ziani; Mahieddine, Mokhtari; Kaddour, Lamara","Crystal structure of 3-[4-(1-methylethyl)phenyl]-1-(naphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","9","o1009","o1010","10.1107/S1600536814017528","","","1.5418","CuKα","","0.0375","0.0353","","","0.0947","0.0968","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239906","9.9374","0.0002","16.1534","0.0004","13.053","0.0003","90","","100.308","0.001","90","","2061.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,9-Diphenyl-17λ^6^-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione","","- C28 H18 O2 S -","- C28 H18 O2 S -","- C112 H72 O8 S4 -","4","1","","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structure of 2,9-diphenyl-17λ^6^-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione","Acta Crystallographica Section E","2014","70","9","o1013","o1014","10.1107/S1600536814017838","","","0.71073","MoKα","","0.0439","0.0353","","","0.0963","0.1044","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239907","11.5511","0.0011","11.9083","0.001","12.6336","0.0011","80.941","0.002","72.869","0.001","87.253","0.002","1640","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","[[2-(3,5-Di-tert-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^N,O^1^,O^2^]bis(isopropoxido-κO)titanium(IV)]","","- C35 H47 N O4 Ti -","- C35 H47 N O4 Ti -","- C70 H94 N2 O8 Ti2 -","2","1","","Chen, Liang; Wang, Huiran; Deng, Xuebin","Crystal structure of [[2-(3,5-di-tert-butyl-2-oxobenzylideneamino)-2'-oxo-6,6'-dimethyl-1,1'-biphenyl-κ^3^N,O^1^,O^2^]bis(isopropoxido-κO)titanium(IV)]","Acta Crystallographica Section E","2014","70","9","m332","","10.1107/S1600536814018455","","","0.71073","MoKα","","0.0533","0.043","","","0.1068","0.1135","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239908","20.146","0.005","14.513","0.005","6.187","0.005","90","","94.828","0.005","90","","1802.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-[(2E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl benzoate","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G.","Crystal structure of 4-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl benzoate","Acta Crystallographica Section E","2014","70","9","o1007","","10.1107/S1600536814018303","","","0.71073","MoKα","","0.0801","0.0561","","","0.1752","0.1951","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239909","8.2757","0.0002","9.674","0.0002","10.1564","0.0002","76.655","0.001","75.673","0.001","76.355","0.001","752.64","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H15 Cl O3 S -","- C17 H15 Cl O3 S -","- C34 H30 Cl2 O6 S2 -","2","1","HB7272","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2,7-dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1018","o1019","10.1107/S1600536814018339","","","0.71073","MoKα","","0.0407","0.0354","","","0.0951","0.0989","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239910","4.472","0.004","5.353","0.004","17.573","0.012","90","","93.71","0.04","90","","419.8","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C14 H16 N8 S2 -","2","1","HB7262","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione","Acta Crystallographica Section E","2014","70","9","o1005","o1006","10.1107/S160053681401825X","","","0.71073","MoKα","","0.0895","0.0531","","","0.1183","0.1387","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239911","9.6265","0.0004","11.1329","0.0004","13.8252","0.0005","110.646","0.003","100.708","0.003","102.762","0.003","1294.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-(4-fluorophenyl)thiourea","1-Benzoyl-3-(4-fluorophenyl)thiourea","","- C14 H11 F N2 O S -","- C14 H11 F N2 O S -","- C56 H44 F4 N8 O4 S4 -","4","2","","Jassas, Rabab Sharaf; Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zayed, Mohie E. M.; Mustafa, Ghulam","Crystal Structure of 1-benzoyl-3-(4-fluorophenyl)thiourea","Acta Crystallographica Section E","2014","70","9","o1023","o1024","10.1107/S1600536814018376","","","1.54184","CuKα","","0.0402","0.0357","","","0.0975","0.102","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239912","9.2226","0.0011","14.0333","0.0013","10.9206","0.0011","90","","102.355","0.011","90","","1380.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[({2-[(2-Aminoethyl)amino]ethyl}imino)methyl]phenolato}aquacopper(II) bromide","","- C11 H18 Br Cu N3 O2 -","- C11 H18 Br Cu N3 O2 -","- C44 H72 Br4 Cu4 N12 O8 -","4","1","","Plyuta, Nataliya I.; Rusanova, Julia A.; Petrusenko, Svitlana R.; Omelchenko, Irina V.","Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]phenolato}aquacopper(II) bromide","Acta Crystallographica Section E","2014","70","9","m330","m331","10.1107/S1600536814017590","","","0.71073","MoKα","","0.114","0.0523","","","0.0822","0.0965","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239913","12.769","0.003","9.4607","0.0002","13.0022","0.0004","90","","108.145","0.001","90","","1492.6","0.4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","HG5405","Zukerman-Schpector, Julio; Maganhi, Stella H.; Moran, Paulo J. S.; de Paula, Bruno R. S.; Nucci Jr, Paulo R.; Tiekink, Edward R. T.","Crystal structure of (3E)-3-(4-nitrophenoxymethyl)-4-phenylbut-3-en-2-one","Acta Crystallographica Section E","2014","70","9","o1020","o1021","10.1107/S1600536814018327","","","0.71073","MoKα","","0.0497","0.0381","","","0.1041","0.1133","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239914","3.8612","0.0005","15.28","0.003","18.604","0.003","90","","90.347","0.008","90","","1097.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","HB7268","Tahir, M. Nawaz; Khan, Abdul Haleem; Shad, Hazoor Ahmad","Crystal structure of (E)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate","Acta Crystallographica Section E","2014","70","9","o1008","","10.1107/S1600536814018273","","","0.71073","MoKα","","0.1077","0.0587","","","0.0988","0.1235","","","","","","1.147","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239915","8.2699","0.0007","13.1235","0.0012","10.0026","0.0009","90","","110.379","0.005","90","","1017.64","0.16","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(1-Allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-\ methoxybenzenesulfonamide","","- C19 H20 Cl N3 O4 S -","- C19 H20 Cl N3 O4 S -","- C38 H40 Cl2 N6 O8 S2 -","2","1","SU2771","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of N-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1029","o1030","10.1107/S1600536814018492","","","0.71073","MoKα","","0.0448","0.035","","","0.0816","0.0877","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239916","7.2269","0.0008","24.655","0.003","9.6933","0.0011","90","","92.533","0.0017","90","","1725.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-(cyclohexylsulfanyl)acetamide","","- C15 H20 N4 O S2 -","- C15 H20 N4 O S2 -","- C60 H80 N16 O4 S8 -","4","1","BH2502","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of N-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-(cyclohexylsulfanyl)acetamide","Acta Crystallographica Section E","2014","70","9","o1031","o1032","10.1107/S1600536814018534","","","0.71073","MoKα","","0.0529","0.0402","","","0.0968","0.1062","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239917","6.7915","0.0017","9.196","0.003","13.941","0.003","95.831","0.013","101.214","0.01","90.85","0.015","849.1","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","BPTZCNCOOH","(E)-2-Cyano-3-(12-methyl-12H-benzo[b]phenothiazin-11-yl)acrylic acid","","- C21 H14 N2 O2 S -","- C21 H14 N2 O2 S -","- C42 H28 N4 O4 S2 -","2","1","","Watanabe, Motonori; Ishihara, Tatsumi","Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]phenothiazin-11-yl)acrylic acid","Acta Crystallographica Section E","2014","70","9","o1026","o1027","10.1107/S1600536814018388","","","0.71075","MoKα","","0.037","0.0357","","","0.0988","0.1","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239918","7.39","0.005","8.919","0.004","14.955","0.009","74.61","0.04","76.71","0.05","71.03","0.04","887.5","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","(3,5-Dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone","","- C21 H12 Br2 N2 O3 -","- C21 H12 Br2 N2 O3 -","- C42 H24 Br4 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Motohashi, Yuya","Crystal structure of (3,5-dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone","Acta Crystallographica Section E","2014","70","9","o1033","","10.1107/S1600536814018601","","","0.71069","MoKα","","","0.0644","","","","0.2041","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239919","9.7912","0.0007","14.7873","0.001","16.3592","0.0011","103.837","0.007","99.173","0.007","99.772","0.007","2216.4","0.3","223","","223","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-N-phenylacetamidato)-κ^4^N:O;κ^4^O:N-bis[(2-methylbenzonitrile-κN)rhodium(II)](Rh—Rh)","","- C48 H46 N6 O4 Rh2 -","- C48 H46 N6 O4 Rh2 -","- C96 H92 N12 O8 Rh4 -","2","1","","Eagle, Cassandra T.; Atem-Tambe, Nkongho; Kpogo, Kenneth K.; Tan, Jennie; Cook, Kevin M.","Crystal structure of tetrakis(μ-N-phenylacetamidato)-κ^4^N:O;κ^4^O:N-bis[(2-methylbenzonitrile-κN)rhodium(II)](Rh—Rh)","Acta Crystallographica Section E","2014","70","9","m333","m334","10.1107/S1600536814017930","","","0.71075","MoKα","","","0.0368","","","","0.0789","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239920","7.2161","0.0001","10.5267","0.0002","11.3442","0.0002","111.54","0.001","90.882","0.001","108.76","0.001","750.2","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran","","- C16 H13 I O3 S -","- C16 H13 I O3 S -","- C32 H26 I2 O6 S2 -","2","1","HB7273","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1028","","10.1107/S1600536814018510","","","0.71073","MoKα","","0.0252","0.0233","","","0.0583","0.0594","","","","","","1.093","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239921","8.1736","0.0012","22.504","0.004","19.279","0.003","90","","90","","90","","3546.2","1","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","N-(1-Allyl-3-chloro-1H-indazol-5-yl)-4-methylbenzenesulfonamide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C136 H128 Cl8 N24 O16 S8 -","8","1","TK5336","Chicha, Hakima; Rakib, El Mostapha; Chigr, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of N-(1-allyl-3-chloro-1H-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2014","70","9","o1041","o1042","10.1107/S1600536814018194","","","0.71073","MoKα","","0.0786","0.043","","","0.1045","0.123","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239922","18.537","0.006","5.1997","0.0017","19.059","0.007","90","","90","","90","","1837","1.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4-Allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C64 H64 N32 S8 -","8","1","IS5372","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine","Acta Crystallographica Section E","2014","70","9","o1038","","10.1107/S1600536814018042","","","0.71073","MoKα","","0.1212","0.056","","","0.1458","0.1805","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2239923","23.5359","0.0016","10.2522","0.0005","10.3605","0.0011","90","","97.257","0.014","90","","2479.9","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C112 H88 N8 O32 -","4","0.5","IS5370","Mohri, Saki; Ohisa, Shinji; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 2,7-diethoxy-1,8-bis(4-nitrobenzoyl)naphthalene","Acta Crystallographica Section E","2014","70","9","138","141","10.1107/S1600536814018674","","","1.54187","CuKα","","0.0384","0.0365","","","0.0994","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239924","14.1148","0.0009","14.7489","0.0009","15.5929","0.001","90","","92.804","0.004","90","","3242.2","0.4","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-3-(2,4-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","","Koh, Dongsoo","Crystal structure of (E)-3-(2,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","9","o1034","o1035","10.1107/S1600536814018704","","","1.54178","CuKα","","0.0394","0.0363","","","0.0929","0.0954","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239925","15.894","0.003","10.9654","0.0017","15.0212","0.0016","90","","91.746","0.012","90","","2616.7","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κO)bis(pyridine-2-carboxamide oxime-κ^2^N,N')cadmium ethanol disolvate","","- C20 H32 Cd N6 O8 -","- C20 H32 Cd N6 O8 -","- C80 H128 Cd4 N24 O32 -","4","0.5","BG2533","Liu, Jiyong","Crystal structure of bis(acetato-κO)bis(pyridine-2-carboxamide oxime-κ^2^N,N')cadmium ethanol disolvate","Acta Crystallographica Section E","2014","70","9","142","144","10.1107/S1600536814017978","","","0.71073","MoKα","","0.0602","0.0469","","","0.1125","0.1251","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239926","12.234","0.004","12.02","0.004","6.809","0.003","90","","90","","90","","1001.3","0.6","10","2","10","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","magnesium selenate heptahydrate","Hexaaquamagnesium(II) selenate monohydrate","","- H14 Mg O11 Se -","- H14 Mg O11 Se -","- H56 Mg4 O44 Se4 -","4","1","","Fortes, A. Dominic; Gutmann, Matthias J.","Crystal structure of magnesium selenate heptahydrate, MgSeO~4~·7H~2~O, from neutron time-of-flight data","Acta Crystallographica Section E","2014","70","9","134","137","10.1107/S1600536814018698","","","","neutron","","0.0723","0.0723","","","0.1969","0.1969","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239927","8.877","0.003","9.914","0.003","10.294","0.003","90","","110.565","0.005","90","","848.2","0.5","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(Z)-2,3-Dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","","- C18 H14 Cl2 O4 -","- C18 H14 Cl2 O4 -","- C36 H28 Cl4 O8 -","2","1","FY2117","Tittal, Ram K.; Kumar, Satish; Ram, R. N.","Crystal structure of (Z)-2,3-dichloro-1,4-bis(4-methoxyphenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2014","70","9","o1049","o1050","10.1107/S1600536814018790","","","0.71073","MoKα","","0.0598","0.0565","","","0.1322","0.1343","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239928","7.176","0.003","9.9359","0.0018","10.716","0.002","117.528","0.005","104.792","0.007","91.701","0.007","645.3","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","2-Amino-4-methylpyridin-1-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C10 H16 N2 O7 -","- C10 H16 N2 O7 -","- C20 H32 N4 O14 -","2","2","","Jovita, J. V.; Sathya, S.; Usha, G.; Vasanthi, R.; Ramanand, A.","Crystal structure of 2-amino-4-methylpyridin-1-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate monohydrate","Acta Crystallographica Section E","2014","70","9","o1036","o1037","10.1107/S160053681401842X","","","0.71073","MoKα","","0.0327","0.0309","","","0.0869","0.0884","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239929","12.2857","0.0012","15.3082","0.0016","18.5241","0.0018","90","","90","","90","","3483.9","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(E)-2-[(4-Chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazine carbothioamide","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C136 H160 Cl8 N24 O8 S8 -","8","1","SU2769","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","9","o1039","o1040","10.1107/S1600536814018509","","","0.71073","MoKα","","0.0836","0.0496","","","0.1297","0.1523","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239930","12.8459","0.0006","7.6983","0.0004","19.4283","0.0008","90","","122.254","0.002","90","","1624.82","0.14","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3E)-3-(2,4-Dinitrophenoxymethyl)-4-phenylbut-3-en-2-one","","- C17 H14 N2 O6 -","- C17 H14 N2 O6 -","- C68 H56 N8 O24 -","4","1","HG5406","Caracelli, Ignez; Maganhi, Stella H.; Moran, Paulo J. S.; de Paula, Bruno R. S.; Delling, Felix N.; Tiekink, Edward R. T.","Crystal structure of (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one","Acta Crystallographica Section E","2014","70","9","o1051","o1052","10.1107/S1600536814018819","","","0.71073","MoKα","","0.0412","0.0367","","","0.0971","0.101","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239931","12.5828","0.0003","12.3847","0.0003","8.4807","0.0002","90","","102.563","0.0011","90","","1289.94","0.05","90","0.2","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","1-Methoxy-2,2,2-tris(pyrazol-1-yl)ethane","","- C12 H14 N6 O -","- C12 H14 N6 O -","- C48 H56 N24 O4 -","4","1","SU2774","Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; Mallik, Uma Prasad","Crystal structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane","Acta Crystallographica Section E","2014","70","9","o1047","o1048","10.1107/S1600536814018789","","","0.71073","MoKα","","0.0581","0.0419","","","0.0932","0.1024","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239932","11.389","0.005","12.66","0.005","21.667","0.005","90","","90","","90","","3124","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","","- C14 H17 N3 O S2 -","- C14 H17 N3 O S2 -","- C112 H136 N24 O8 S16 -","8","1","SU2768","Manimaran, A.; Sethusankar, K.; Ganesan, S.; Ananthan, S.","Crystal structure of 3-methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1055","","10.1107/S1600536814018856","","","0.71073","MoKα","","0.0773","0.0476","","","0.128","0.1502","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239933","19.751","0.006","7.087","0.002","28.492","0.009","90","","102.997","0.004","90","","3886","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[2,4-Bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate","","- C22 H23 F2 N3 O2 -","- C22 H23 F2 N3 O2 -","- C176 H184 F16 N24 O16 -","8","1","SU2773","Kamaraj, A.; Rajkumar, R.; Krishnasamy, K.; Murugavel, S.","Crystal structure of methyl 2-[2,4-bis(4-fluorophenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2014","70","9","145","147","10.1107/S1600536814018935","","","0.71073","MoKα","","0.0655","0.0495","","","0.1344","0.1472","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239934","5.8612","0.0001","11.6832","0.0002","12.6432","0.0002","65.292","0.001","85.902","0.001","83.229","0.001","780.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","","- C17 H21 Cl O2 S -","- C17 H21 Cl O2 S -","- C34 H42 Cl2 O4 S2 -","2","1","HB7277","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1067","o1068","10.1107/S1600536814019217","","","0.71073","MoKα","","0.0429","0.0385","","","0.0993","0.1024","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239935","9.1523","0.0002","9.5503","0.0002","10.3099","0.0002","65.666","0.001","81.636","0.001","70.782","0.001","775.29","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl- 1-benzofuran","","- C18 H17 F O2 S -","- C18 H17 F O1.997 S0.997 -","- C36 H34 F2 O3.994 S1.994 -","2","1","HB7276","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1058","o1059","10.1107/S1600536814019023","","","0.71073","MoKα","","0.0682","0.0626","","","0.1651","0.17","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239936","9.8769","0.0002","11.319","0.0002","13.132","0.0002","90","","101.951","0.001","90","","1436.29","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","FY2118","Choi, Hong Dae; Lee, Uk","Crystal structure of 2,5-dimethyl-3-(3-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1073","o1074","10.1107/S1600536814019369","","","0.71073","MoKα","","0.0571","0.0451","","","0.1198","0.1283","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239937","9.825","0.002","9.974","0.003","10.697","0.002","70.01","0.02","67.89","0.02","59.77","0.01","823.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(propane-1,3-diammonium) hexafluoridoaluminate fluoride trihydrate","","- C6 H30 Al F7 N4 O3 -","- C6 H30 Al F7 N4 O3 -","- C12 H60 Al2 F14 N8 O6 -","2","1","CQ2011","Abdi, I.; Al-Sadhan, K. A.; Ben Ali, A.","Crystal structure of bis(propane-1,3-diammonium) hexafluoridoaluminate fluoride trihydrate","Acta Crystallographica Section E","2014","70","9","m335","m336","10.1107/S1600536814018844","","","0.71073","MoKα","","0.0653","0.0591","","","0.1736","0.1834","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239938","8.2271","0.001","19.957","0.002","12.0474","0.0017","90","","96.374","0.011","90","","1965.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichlorido(4,10-dimethyl-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane)chromium(III) hexafluoridophosphate","","- C12 H26 Cl2 Cr F6 N4 P -","- C12 H26 Cl2 Cr F6 N4 P -","- C48 H104 Cl8 Cr4 F24 N16 P4 -","4","1","WM5051","Prior, Timothy J.; Maples, Danny L.; Maples, Randall D.; Hoffert, Wesley A.; Parsell, Trenton H.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Crystal structures of two cross-bridged chromium(III) tetraazamacrocycles","Acta Crystallographica Section E","2014","70","9","148","152","10.1107/S1600536814019072","","","0.71073","MoKα","","0.0788","0.0405","","","0.0864","0.0963","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239939","13.6801","0.0019","12.437","0.002","12.3864","0.0017","90","","102.028","0.011","90","","2061.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)chromium(III) hexafluorophosphate","","- C14 H30 Cl2 Cr F6 N4 P -","- C14 H30 Cl2 Cr F6 N4 P -","- C56 H120 Cl8 Cr4 F24 N16 P4 -","4","1","","Prior, Timothy J.; Maples, Danny L.; Maples, Randall D.; Hoffert, Wesley A.; Parsell, Trenton H.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.","Crystal structures of two cross-bridged chromium(III) tetraazamacrocycles","Acta Crystallographica Section E","2014","70","9","148","152","10.1107/S1600536814019072","","","0.71073","MoKα","","0.1019","0.0452","","","0.0954","0.1094","","","","","","0.784","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239940","9.401","0.006","10.061","0.006","11.963","0.007","101.328","0.01","94.183","0.01","104.549","0.009","1064.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate","","- C18 H25 N2 O7 P -","- C18 H25 N2 O7 P -","- C36 H50 N4 O14 P2 -","2","1","","Wang, QingMing; Su, Feng; Yang, TingTing; Lu, LiPing; Zhu, MiaoLi","Crystal structure of diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate","Acta Crystallographica Section E","2014","70","9","o1053","o1054","10.1107/S1600536814018649","","","0.71073","MoKα","","0.1141","0.0542","","","0.1131","0.1381","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239941","6.0785","0.0003","10.319","0.0006","14.436","0.0008","91.57","0.003","91.946","0.002","99.055","0.003","893.19","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","3,5-Bis(4-Chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","3,5-Bis(4-chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","","- C18 H21 Cl2 N3 -","- C18 H21 Cl2 N3 -","- C36 H42 Cl4 N6 -","2","1","LH5723","Lefrada, Leila; Bouchemma, Ahcene; Bouacida, Sofiane; Claiser, Nicolas; Souhassou, Mohamed","Crystal structure of 3,5-bis(4-chlorophenyl)-1-propyl-1,3,5-triazacyclohexane","Acta Crystallographica Section E","2014","70","9","o1061","o1062","10.1107/S1600536814019060","","","0.71073","MoKα","","0.0613","0.0492","","","0.1317","0.1418","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239942","7.3634","0.0007","31.908","0.003","8.1372","0.0008","90","","107.598","0.001","90","","1822.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Wu, Liang-Tao; Kong, Ming; Wu, Jie-Ying","Crystal structure of 4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline","Acta Crystallographica Section E","2014","70","9","o1077","","10.1107/S160053681401900X","","","0.71073","MoKα","","0.067","0.0417","","","0.0966","0.1059","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239943","10.694","0.0002","11.8612","0.0004","12.1088","0.0003","90.52","0.001","101.181","0.002","102.259","0.002","1470.39","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ^3^N,N',N''}nickel(II) dichloride 3.5-hydrate","","- C26 H41 Cl2 N6 Ni O3.5 -","- C26 H41 Cl2 N6 Ni O3.5 -","- C52 H82 Cl4 N12 Ni2 O7 -","2","1","","Kariuki, Benson M.; Al-Sudani, Abdul-Razak H.","Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ^3^N,N',N''}nickel(II) dichloride 3.5-hydrate","Acta Crystallographica Section E","2014","70","9","m339","m340","10.1107/S1600536814019035","","","0.71073","MoKα","","0.0515","0.0387","","","0.0838","0.0904","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239944","8.7167","0.0003","9.8521","0.0003","15.4938","0.0004","90","","95.149","0.002","90","","1325.2","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Acetylphenyl 3-methylbenzoate","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","BT6992","Mani, Karthik Ananth; Viswanathan, Vijayan; Narasimhan, S.; Velmurugan, Devadasan","Crystal structure of 4-acetylphenyl 3-methylbenzoate","Acta Crystallographica Section E","2014","70","9","o1060","","10.1107/S1600536814018923","","","0.71073","MoKα","","0.078","0.0481","","","0.1343","0.162","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239945","13.3135","0.0009","9.9581","0.0006","20.0278","0.0014","90","","90","","90","","2655.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N'-Benzylidene-2-methoxybenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","BG2535","Taha, Muhammad; Baharudin, M. Syukri; Zaki, Hamizah Mohd; Yamin, Bohari M.; Naz, Humera","Crystal structure of (E)-N'-benzylidene-2-methoxybenzohydrazide","Acta Crystallographica Section E","2014","70","9","o1071","o1072","10.1107/S1600536814019011","","","0.71073","MoKα","","0.0593","0.0379","","","0.0866","0.1034","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239946","7.9776","0.0007","9.5412","0.0009","13.0541","0.0014","83.099","0.008","83.227","0.008","84.608","0.007","976.33","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(2,2-Dimethylpropanamido)pyridin-3-yl N,N-diisopropyldithiocarbamate","","- C17 H27 N3 O S2 -","- C17 H27 N3 O S2 -","- C34 H54 N6 O2 S4 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.","Crystal structure of 4-(2,2-dimethylpropanamido)pyridin-3-yl N,N-diisopropyldithiocarbamate","Acta Crystallographica Section E","2014","70","9","o1069","o1070","10.1107/S1600536814019321","","","1.54184","CuKα","","0.0659","0.0614","","","0.2067","0.2108","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239947","11.101","0.003","10.457","0.003","17.326","0.005","90","","104.473","0.004","90","","1947.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[Bis(4-Ethoxyphenyl)amino]thiophene-2-carbaldehyde","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C84 H84 N4 O12 S4 -","4","1","","Tan, Jing-Yun; Kong, Ming; Wu, Jie-Ying","Crystal structure of 5-[bis(4-ethoxyphenyl)amino]thiophene-2-carbaldehyde","Acta Crystallographica Section E","2014","70","9","o1075","o1076","10.1107/S1600536814018984","","","0.71073","MoKα","","0.0548","0.0376","","","0.1218","0.1338","","","","","","0.931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239948","10.494","0.003","11.464","0.002","17.425","0.003","80.265","0.015","86.064","0.017","89.877","0.018","2061.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Cyclopropanecarbonyl-3-methyl-2,6-di-p-tolylpiperidin-4-one","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","2","SU2765","Kamaraj, A.; Ranjith, S.; Rajkumar, R.; Mohanraj, G.; Krishnasamy, K.","Crystal structure of 1-cyclopropanecarbonyl-3-methyl-2,6-di-p-tolylpiperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1056","o1057","10.1107/S1600536814018546","","","0.71073","MoKα","","0.1056","0.0544","","","0.1234","0.1561","","","","","","0.946","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239949","8.4338","0.0003","9.9171","0.0003","10.1059","0.0003","73.988","0.002","66.155","0.002","73.629","0.002","729.02","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","","- C16 H12 Cl F O3 S -","- C16 H12 Cl F O3 S -","- C32 H24 Cl2 F2 O6 S2 -","2","1","MW2126","Choi, Hong Dae; Lee, Uk","5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","9","o1065","o1066","10.1107/S1600536814019114","","","0.71073","MoKα","","0.0424","0.0374","","","0.0948","0.0979","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239950","13.5157","0.0006","7.8454","0.0003","12.2147","0.0005","90","","106.884","0.005","90","","1239.37","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[4-(Pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C48 H72 N16 O8 -","4","1","BT6993","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H.S.","Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate","Acta Crystallographica Section E","2014","70","9","o1063","o1064","10.1107/S1600536814018972","","","1.54184","CuKα","","0.057","0.0534","","","0.1456","0.1487","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239951","5.154","0.003","11.124","0.007","17.256","0.011","79.096","0.01","87.126","0.01","85.03","0.012","967.2","1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","4,4'-(Disulfanediyl)dibutanoic acid‒4,4'-bipyridine (1/1)","","- C18 H22 N2 O4 S2 -","- C18 H22 N2 O4 S2 -","- C36 H44 N4 O8 S4 -","2","1","WM5041","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Crystal structure of 4,4'-(disulfanediyl)dibutanoic acid‒4,4'-bipyridine (1/1)","Acta Crystallographica Section E","2014","70","9","157","160","10.1107/S1600536814018558","","","0.71073","MoKα","","0.0903","0.0482","","","0.1104","0.1314","","","","","","0.905","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239952","15.78","0.004","15.427","0.004","21.649","0.006","90","","102.262","0.005","90","","5150","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,3-Dimethylthiourea-κS)tris(triphenylphosphane-κP)silver(I) acetate","","- C59 H56 Ag N2 O2 P3 S -","- C59 H56 Ag N2 O2 P3 S -","- C236 H224 Ag4 N8 O8 P12 S4 -","4","1","","Wattanakanjana, Yupa; Nimthong, Arunpatcha; Darasuriyong, Chanokphat","Crystal structure of (1,3-dimethylthiourea-κS)tris(triphenylphosphane-κP)silver(I) acetate","Acta Crystallographica Section E","2014","70","9","m337","m338","10.1107/S1600536814019047","","","0.71073","MoKα","","0.0991","0.0529","","","0.0905","0.1055","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239953","18.0861","0.0008","4.169","0.0002","12.3694","0.0006","90","","104.003","0.005","90","","904.95","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Amino-1-benzyl-1,2,4-triazolin-5-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","FJ2680","Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig","Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one","Acta Crystallographica Section E","2014","70","10","o1083","o1084","10.1107/S160053681401931X","","","1.5418","CuKα","","0.0381","0.0338","","","0.0879","0.092","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239954","8.965","0.005","19.613","0.005","11.456","0.005","90","0.005","96.989","0.005","90","0.005","1999.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-hloro-N-{[1-(4-chlorobenzoyl)piperidin-4-yl]methyl}benzamide","","- C20 H22 Cl2 N2 O3 -","- C20 H22 Cl2 N2 O3 -","- C80 H88 Cl8 N8 O12 -","4","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Jovita, J.; Usha, G.","Crystal structure of 4-chloro-N-{[1-(4-chlorobenzoyl)piperidin-4-yl]methyl}benzamide monohydrate","Acta Crystallographica Section E","2014","70","10","o1080","","10.1107/S1600536814018522","","","0.71073","MoKα","","0.0844","0.0433","","","0.1017","0.1195","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239955","10.55","0.002","11.308","0.002","12.874","0.003","93.21","0.004","104.225","0.004","113.323","0.004","1346.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-4,4'-[1,3-phenylenebis(oxy)]dibenzoato-κ^4^O,O':O'',O'''}bis[(1,10-phenanthroline-κ^2^N,N')zinc(II)] dihydrate","","- C64 H44 N4 O14 Zn2 -","- C64 H44 N4 O14 Zn2 -","- C64 H44 N4 O14 Zn2 -","1","0.5","XU5810","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Zang, Hu; Su, Guan-Fang","Crystal structure of bis{μ-4,4'-[1,3-phenylenebis(oxy)]dibenzoato-κ^4^O,O':O'',O'''}bis[(1,10-phenanthroline-κ^2^N,N')zinc(II)] dihydrate","Acta Crystallographica Section E","2014","70","10","m341","m342","10.1107/S1600536814018340","","","0.71073","MoKα","","0.1045","0.0449","","","0.0918","0.1116","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239956","19.5872","0.0012","6.5263","0.0004","14.7598","0.0009","90","","120.846","0.002","90","","1619.89","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3R)-3-Benzyl-4-[(tert-butoxycarbonyl)amino]butanoic acid","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Jedrzejczak, Karol; Szczesio, Małgorzata; Oracz, Monika; Jankowski, Stefan; Główka, Marek L.","Crystal structure of (3R)-3-benzyl-4-[(tert-butoxycarbonyl)amino]butanoic acid","Acta Crystallographica Section E","2014","70","10","o1081","o1082","10.1107/S1600536814019497","","","1.54178","CuKα","","0.0299","0.029","","","0.0727","0.0733","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239957","21.7503","0.0003","10.6444","0.0002","16.4061","0.0003","90","","126.622","0.001","90","","3048.49","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H14 Cl F O2 S -","- C17 H14 Cl F O2 S -","- C136 H112 Cl8 F8 O16 S8 -","8","1","XU5819","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","10","o1078","o1079","10.1107/S1600536814019229","","","0.71073","MoKα","","0.0471","0.0373","","","0.0908","0.0963","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239958","7.3551","0.0006","7.6579","0.0005","20.7878","0.0014","91.266","0.006","94.341","0.006","94.25","0.006","1163.84","0.15","200","1","200","1","","","","","","","","5","P -1","-P 1","2","magnesium bis[(2,4-dichlorophenoxy)acetate] 0.5hydrate","Pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate","","- C16 H21 Cl4 Mg O11.5 -","- C16 H21 Cl4 Mg O11.5 -","- C32 H42 Cl8 Mg2 O23 -","2","1","WM5045","Smith, Graham","Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate","Acta Crystallographica Section E","2014","70","10","161","163","10.1107/S1600536814019357","","","0.71073","MoKα","","0.0712","0.0495","","","0.0951","0.1071","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239959","13.03","0.003","10.985","0.002","19.925","0.004","90","","93.25","0.03","90","","2847.4","1","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2-[(dimethylamino)methyl]ferroceneselenolato}bis[chloridopalladium(II)]","","- C26 H32 Cl2 Fe2 N2 Pd2 Se2 -","- C26 H32 Cl2 Fe2 N2 Pd2 Se2 -","- C104 H128 Cl8 Fe8 N8 Pd8 Se8 -","4","1","ZL2600","Takaluoma, Esther M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Crystal structure of bis{μ-2-[(dimethylamino)methyl]ferroceneselenolato}bis[chloridopalladium(II)]","Acta Crystallographica Section E","2014","70","10","m343","m344","10.1107/S1600536814019503","","","0.71073","MoKα","","0.0562","0.0391","","","0.0808","0.0883","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239960","11.217","0.004","11.668","0.004","12.11","0.004","79.22","0.01","64.62","0.01","68.63","0.009","1332.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Oxo-2,3,4,4a,5,6-hexahydrobenzo[h]cinnolin-2-yl)propionic acid","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","2","HB7233","Meneghetti, Fiorella; Masciocchi, Daniela; Gelain, Arianna; Villa, Stefania","Crystal structure of 3-(3-oxo-2,3,4,4a,5,6-hexahydrobenzo[h]cinnolin-2-yl)propionic acid","Acta Crystallographica Section E","2014","70","10","o1088","o1089","10.1107/S1600536814019850","","","0.71073","MoKα","","0.2852","0.059","","","0.1375","0.2047","","","","","","0.924","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239961","9.704","0.003","9.72","0.003","10.804","0.004","90","","101.637","0.007","90","","998.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone","","- C11 H10 Cl F O2 -","- C11 H10 Cl F O2 -","- C44 H40 Cl4 F4 O8 -","4","1","","Shen, Zheng; Mao, Qiu-Xia; Ge, Ji-Long; Tu, Yong-Rui; Wang, Yan","Crystal structure of 2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone","Acta Crystallographica Section E","2014","70","10","o1087","","10.1107/S1600536814019746","","","0.71073","MoKα","","0.0675","0.0577","","","0.1626","0.1689","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239962","6.1363","0.0004","8.2574","0.0003","15.3303","0.0009","86.659","0.003","78.751","0.002","73.893","0.003","731.95","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetralon-thiosemicarbazon/0.5 Tetracyanopyrazin","2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide‒\ pyrazine-2,3,5,6-tetracarbonitrile (2/1)","","- C30 H26 N12 S2 -","- C30 H26 N12 S2 -","- C30 H26 N12 S2 -","1","0.5","","Beck, Johannes; Daniels, Jörg; Krieger-Beck, Petra; Dittmann, Gertrud; de Oliveira, Adriano Bof","Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide‒pyrazine-2,3,5,6-tetracarbonitrile (2/1)","Acta Crystallographica Section E","2014","70","10","o1090","o1091","10.1107/S1600536814019795","","","0.71073","MoKα","","0.0859","0.0454","","","0.0816","0.0958","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239963","20.1817","0.0004","12.4559","0.0003","28.6781","0.0006","90","","94.213","0.002","90","","7189.7","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κP)ruthenium(II) dichloromethane hemisolvate","","- C41.5 H36 Cl N3 P2 Ru -","- C41.5 H36 Cl N3 P2 Ru -","- C332 H288 Cl8 N24 P16 Ru8 -","8","1","","Hernández-Calva, Adriana; Meléndez-Balbuena, Lidia; Arroyo, Maribel; Ramírez-Monroy, Armando","Crystal structure of azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κP)ruthenium(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2014","70","10","m345","m346","10.1107/S1600536814019187","","","0.71073","MoKα","","0.0365","0.0267","","","","0.0651","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239964","12.7734","0.0002","16.4106","0.0003","12.9012","0.0002","90","","95.939","0.001","90","","2689.82","0.08","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-Dibenzoyl-2,7-diphenoxynaphthalene","","- C36 H24 O4 -","- C36 H24 O4 -","- C144 H96 O16 -","4","1","GK2618","Narushima, Satsuki; Mohri, Saki; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 1,8-dibenzoyl-2,7-diphenoxynaphthalene","Acta Crystallographica Section E","2014","70","10","170","173","10.1107/S1600536814019758","","","1.54187","CuKα","","0.0363","0.034","","","0.0948","0.0969","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239965","8.4361","0.0006","13.2603","0.001","13.8664","0.001","110.061","0.007","103.559","0.006","101.43","0.006","1348.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-{[(pyridin-2-yl)methylidene]amino}benzoato-κ^3^N,N',O)cobalt(II) N,N-dimethylformamide sesquisolvate","","- C30.5 H28.5 Co N5.5 O5.5 -","- C30.5 H28.5 Co N5.5 O5.5 -","- C61 H57 Co2 N11 O11 -","2","1","WM5044","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis(2-{[(pyridin-2-yl)methylidene]amino}benzoato-κ^3^N,N',O)cobalt(II) N,N-dimethylformamide sesquisolvate","Acta Crystallographica Section E","2014","70","10","164","166","10.1107/S1600536814019485","","","0.71073","MoKα","","0.0639","0.0481","","","0.1184","0.1265","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2239966","9.565","0.005","12.969","0.005","13.652","0.005","115.656","0.005","94.646","0.005","91.621","0.005","1517.7","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[2-({4-[2,6-Bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ^3^N,N',N'']bis(thiocyanato-κN)zinc N,N-dimethylformamide monosolvate","","- C29 H29 N7 O2 S2 Zn -","- C29 H29 N7 O2 S2 Zn -","- C58 H58 N14 O4 S4 Zn2 -","2","1","","Wang, Shi-Chao; Pan, Rou-Chen; Song, Wan-Ying; Li, Sheng-Li","Crystal structure of [2-({4-[2,6-bis(pyridin-2-yl)pyridin-4-yl]phenyl}(methyl)amino)ethanol-κ^3^N,N',N'']bis(thiocyanato-κN)zinc N,N-dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","10","m347","m348","10.1107/S1600536814019527","","","0.71069","MoKα","","0.0885","0.0598","","","0.1574","0.1742","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239967","10.2319","0.0003","10.5228","0.0003","11.7767","0.0004","101.088","0.002","107.524","0.002","114.008","0.002","1029.87","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-chlorophenyl)-2-imino-1,2,5,6,7,8,9,10-\ octahydrocycloocta[b]pyridine-3-carbonitrile","","- C25 H24 Cl N3 -","- C25 H24 Cl N3 -","- C50 H48 Cl2 N6 -","2","1","BH2503","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 1-benzyl-4-(4-chlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","167","169","10.1107/S160053681401962X","","","0.71073","MoKα","","0.0521","0.0377","","","0.0943","0.1051","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239968","9.3347","0.0002","16.2442","0.0003","19.258","0.0004","90","","90","","90","","2920.18","0.1","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-13-{4-[(Z)-2-Cyano-2-(3,4,5-\ trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","(Z)-3-(4-{(E)-[(E)-1a,5-Dimethyl-9-oxo-2,3,7,7a-tetrahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-8(1aH,6H,9H,10aH,10bH)-ylidene]methyl}phenyl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile methanol hemisolvate","","- C33.5 H37 N O6.5 -","- C33.5 H37 N O6.5 -","- C134 H148 N4 O26 -","4","1","SJ5404","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","Crystal structure of (E)-13-{4-[(Z)-2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","Acta Crystallographica Section E","2014","70","10","o1092","o1093","10.1107/S1600536814019333","","","1.54178","CuKα","","0.0244","0.0242","","","0.0652","0.0654","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239969","7.0719","0.0005","16.3972","0.0008","31.88","0.002","90","","90","","90","","3696.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Pyridin-2-ylmethylidene)(triphenylmethyl)amine","","- C25 H20 N2 -","- C25 H20 N2 -","- C200 H160 N16 -","8","2","TK5243","Theppitak, Chatphorn; Meesangkaew, Manlika; Chanthee, Songwuit; Sriprang, Nimit; Chainok, Kittipong","Crystal structure of (pyridin-2-ylmethylidene)(triphenylmethyl)amine","Acta Crystallographica Section E","2014","70","10","o1094","o1095","10.1107/S160053681401959X","","","1.54178","CuKα","","0.0827","0.0566","","0.133","","0.1532","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239970","13.0758","0.0005","10.5245","0.0004","27.1358","0.001","90","","110.353","0.002","90","","3501.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,10,15-Triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin","","- C44 H37 B N4 O2 -","- C44 H37 B N4 O2 -","- C176 H148 B4 N16 O8 -","4","1","","Senge, Mathias O.; Eckhardt, Hans-Georg","Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin","Acta Crystallographica Section E","2014","70","10","o1085","o1086","10.1107/S1600536814019680","","","1.54178","CuKα","","0.0422","0.0411","","","0.102","0.103","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239971","29.6316","0.0005","6.22328","0.0001","12.4258","0.0002","90","","109.68","0.0008","90","","2157.55","0.06","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]]","","- C14 H14 I4 N4 Sn -","- C14 H14 I4 N4 Sn -","- C56 H56 I16 N16 Sn4 -","4","0.5","WM5043","Zimmermann, Iwan; Keene, Tony D.; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia","Crystal structures of isotypic poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]] and poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","Acta Crystallographica Section E","2014","70","10","178","182","10.1107/S1600536814019151","","","0.71073","MoKα","","0.0283","0.0222","","","0.0431","0.0447","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239972","31.3825","0.0006","6.18011","0.00012","12.38507","0.00013","90","","109.324","0.0007","90","","2266.72","0.07","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","","- C14 H10 F4 I4 N4 Sn -","- C14 H10 F4 I4 N4 Sn -","- C56 H40 F16 I16 N16 Sn4 -","4","0.5","","Zimmermann, Iwan; Keene, Tony D.; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia","Crystal structures of isotypic poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]] and poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]","Acta Crystallographica Section E","2014","70","10","178","182","10.1107/S1600536814019151","","","0.71073","MoKα","","0.039","0.0352","","","0.1198","0.1241","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239973","16.0462","0.0001","16.0462","0.0001","15.3337","0.0002","90","","90","","90","","3948.13","0.06","105","","105","","","","","","","","","5","I -4","I -4","82","","cyclo-Bis(μ~4~-2,2-diallylmalonato- κ^6^O^1^,O^3^:O^3^:O^1'^,O^3'^:O^1'^)tetrakis(triphenylphosphane-κP)tetrasilver(I)","","- C90 H80 Ag4 O8 P4 -","- C90 H80 Ag4 O8 P4 -","- C180 H160 Ag8 O16 P8 -","2","0.25","WM5047","Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich","Crystal structure of cyclo-bis(μ~4~-2,2-diallylmalonato-κ^6^O^1^,O^3^:O^3^:O^1'^,O^3'^:O^1'^)tetrakis(triphenylphosphane-κP)tetrasilver(I)","Acta Crystallographica Section E","2014","70","10","174","177","10.1107/S1600536814019394","","","0.71073","MoKα","","0.0237","0.0223","","","0.0471","0.0478","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239974","9.3383","0.0004","12.338","0.0005","20.5893","0.0008","90","","90","","90","","2372.22","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2'-Benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","","- C28 H19 F3 O4 S -","- C28 H19 F3 O4 S -","- C112 H76 F12 O16 S4 -","4","1","SU2775","Carrilho, Rui M. B.; Pereira, Mariette M.; Maria, Teresa M. R.; Eusébio, M. Ermelinda S.; Rodrigues, V. H.","Crystal structure of (R)-2'-benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","10","o1096","o1097","10.1107/S1600536814019096","","","0.71073","MoKα","","0.0497","0.0368","","","0.0827","0.0881","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239975","14.6208","0.0006","11.3324","0.0007","22.641","0.0012","90","","90","","90","","3751.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5'-[(4-Fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]","","- C19 H21 F N6 O4 -","- C19 H21 F N6 O4 -","- C152 H168 F8 N48 O32 -","8","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 5,5'-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]","Acta Crystallographica Section E","2014","70","10","o1098","o1099","10.1107/S1600536814019886","","","0.71073","MoKα","","0.0976","0.052","","","0.1057","0.1301","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239976","7.0717","0.0005","7.5974","0.0004","28.7175","0.0019","87.926","0.005","86.498","0.006","87.584","0.005","1537.77","0.17","200","1","200","1","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzoic acid‒4-aminosalicylic acid hydrate","4-Amino-2-hydroxybenzoic acid‒3,5-dinitrobenzoic acid‒water (2/2/0.4)","","- C14 H11.4 N3 O9.2 -","- C14 H11.4 N3 O9.2 -","- C56 H45.6 N12 O36.8 -","4","2","SJ5421","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1H-indol-3-yl)propenoic acid","Acta Crystallographica Section E","2014","70","10","183","187","10.1107/S1600536814019898","","","0.71073","MoKα","","0.0854","0.0561","","","0.1303","0.1492","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239977","7.6488","0.0006","12.3552","0.001","13.3768","0.001","116.833","0.008","96.274","0.006","97.626","0.007","1097.4","0.18","200","1","200","1","","","","","","","","6","P -1","-P 1","2","3,5-dinitrobenzoic acid‒indole-3-lactic acid‒dimethyl sulfoxide","3,5-Dinitrobenzoic acid‒\ 2-hydroxy-3-(1H-indol-3-yl)propenoic acid‒\ d^6^-dimethyl sulfoxide (1/1/1)","","- C20 H13 D6 N3 O10 S -","- C20 H13 D6 N3 O10 S -","- C40 H26 D12 N6 O20 S2 -","2","1","SJ5421","Smith, Graham; Lynch, Daniel E.","Crystal structures and hydrogen bonding in the co-crystalline adducts of 3,5-dinitrobenzoic acid with 4-aminosalicylic acid and 2-hydroxy-3-(1H-indol-3-yl)propenoic acid","Acta Crystallographica Section E","2014","70","10","183","187","10.1107/S1600536814019898","","","0.71073","MoKα","","0.0525","0.0395","","","0.0898","0.097","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239978","15.6142","0.0003","5.6142","0.0001","17.2355","0.0003","90","","101.138","0.002","90","","1482.43","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[4-(Methylsulfanyl)quinazolin-2-yl]-1-phenylethanol","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M.","Crystal structure of 2-[4-(methylsulfanyl)quinazolin-2-yl]-1-phenylethanol","Acta Crystallographica Section E","2014","70","10","o1101","","10.1107/S1600536814019990","","","1.54184","CuKα","","0.035","0.0322","","","0.0908","0.0939","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239979","19.2953","0.0008","9.9889","0.0003","9.6341","0.0004","90","","96.667","0.004","90","","1844.31","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4-Dibutyl-2-phenyl-3,4-dihydroquinazoline","","- C22 H28 N2 -","- C22 H28 N2 -","- C88 H112 N8 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Crystal structure of 4,4-dibutyl-2-phenyl-3,4-dihydroquinazoline","Acta Crystallographica Section E","2014","70","10","o1100","","10.1107/S1600536814020017","","","1.5418","CuKα","","0.061","0.0465","","","0.116","0.1289","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239980","9.6689","0.0009","11.1237","0.0011","11.1693","0.0011","94.42","0.001","110.067","0.001","99.919","0.001","1099.4","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-2-(2-{5-[(2-Acetoxyethyl)(methyl)amino]thiophen-2-yl}vinyl)-3-methylbenzothiazolium iodide monohydrate","","- C19 H23 I N2 O3 S2 -","- C19 H23 I N2 O3 S2 -","- C38 H46 I2 N4 O6 S4 -","2","1","","Sun, Xian-Shun; Wang, Ming-Ming; Li, Dan-Dan","Crystal structure of (E)-2-(2-{5-[(2-acetoxyethyl)(methyl)amino]thiophen-2-yl}vinyl)-3-methylbenzothiazolium iodide monohydrate","Acta Crystallographica Section E","2014","70","10","o1104","o1105","10.1107/S1600536814020121","","","0.71073","MoKα","","0.0354","0.0282","","","0.0673","0.0711","","","","","","0.974","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239981","7.9031","0.0003","5.9461","0.0002","8.9907","0.0003","90","","90.039","0.003","90","","422.5","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ~2~-sarcosinato-κ^3^O,N:O')copper(II)]","","- C6 H12 Cu N2 O4 -","- C6 H12 Cu N2 O4 -","- C12 H24 Cu2 N4 O8 -","2","0.5","WM5056","Butcher, Ray J.; Brewer, Greg; Zemba, Matthew","Crystal structure of anhydrous poly[bis(μ~2~-sarcosinato-κ^3^O,N:O')copper(II)]","Acta Crystallographica Section E","2014","70","10","207","209","10.1107/S1600536814020418","","","0.71073","MoKα","","0.0282","0.0229","","","0.0581","0.0614","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239982","13.6668","0.001","8.3356","0.0005","21.4683","0.0016","90","","90","","90","","2445.7","0.3","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","TK5341","Yamin, Bohari M.; Rodis, Monica Lulo; Chee, Dayang N. B. A","Crystal structure of 4-cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2014","70","10","o1109","","10.1107/S160053681402025X","","","0.71073","MoKα","","0.091","0.0529","","","0.1169","0.1351","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239983","5.3975","0.001","10.0099","0.0019","18.311","0.003","90","","91.01","0.003","90","","989.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-{[(1H-1,2,4-Triazol-1-yl)methyl]sulfanyl}phenol","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C36 H36 N12 O4 S4 -","4","1","DS2243","Zhang, Yong-Le; Zhang, Chuang; Guo, Wei; Wang, Jing","Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol","Acta Crystallographica Section E","2014","70","10","o1106","","10.1107/S1600536814019965","","","0.71073","MoKα","","0.0411","0.0323","","","0.0715","0.0767","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239984","10.017","0.002","10.64","0.002","10.677","0.002","62.52","0.009","75.874","0.008","81.831","0.008","978.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1-[4-(5-chloro-α,α,α-trifluoro-p-tolyloxy)-2-fluorophenyl]-3-(2,6-difluorobenzoyl)urea","","- C21 H11 Cl F6 N2 O3 -","- C21 H11 Cl F6 N2 O3 -","- C42 H22 Cl2 F12 N4 O6 -","2","1","SU2781","Jeon, Youngeun; Kang, Gihaeng; Lee, Sangjin; Kim, Tae Ho","Crystal structure of flufenoxuron: a benzoylurea pesticide","Acta Crystallographica Section E","2014","70","10","o1110","","10.1107/S1600536814020649","","","0.71073","MoKα","","0.0428","0.0378","","","0.1043","0.1076","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239985","9.3844","0.0005","17.8121","0.0008","14.4077","0.0007","90","","107.216","0.002","90","","2300.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","SU2763","Raghuvarman, B.; Sivakumar, R.; Thanikachalam, V.; Aravindhan, S.","Crystal structures of (E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","Acta Crystallographica Section E","2014","70","10","199","202","10.1107/S1600536814018893","","","0.71073","MoKα","","0.0819","0.0472","","","0.1159","0.1323","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239986","10.3511","0.0005","23.9398","0.001","10.0587","0.0004","90","","94.997","0.002","90","","2483.11","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C112 H120 N8 O12 -","4","1","SU2763","Raghuvarman, B.; Sivakumar, R.; Thanikachalam, V.; Aravindhan, S.","Crystal structures of (E)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate","Acta Crystallographica Section E","2014","70","10","199","202","10.1107/S1600536814018893","","","0.71073","MoKα","","0.0777","0.0518","","","0.1286","0.1451","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239987","10.516","0.002","10.887","0.002","14.981","0.003","76.05","0.03","82.51","0.03","61.22","0.03","1458.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-bis{[(1H-pyrrol-2-yl)methylidene]amino-κN}propan-2-olato-κO)manganese(III) nitrate methanol monosolvate","","- C27 H34 Mn N9 O6 -","- C27 H34 Mn N9 O6 -","- C54 H68 Mn2 N18 O12 -","2","1","IS5374","Ahn, Seoung Hyun; Shin, Jong Won; Moon, Dohyun","Crystal structure of bis(1,3-bis{[(1H-pyrrol-2-yl)methylidene]amino-κN}propan-2-olato-κO)manganese(III) nitrate methanol monosolvate","Acta Crystallographica Section E","2014","70","10","210","212","10.1107/S1600536814020406","","","0.62998","synchrotron","","0.1072","0.0684","","","0.1992","0.223","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239988","9.8417","0.0005","9.9474","0.0006","10.4241","0.0005","103.454","0.002","106.479","0.002","100.856","0.002","915.66","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate","Trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C15 H19 N5 O7 -","- C15 H19 N5 O7 -","- C30 H38 N10 O14 -","2","1","LH5722","Gunaseelan, Sridevi; Doraisamyraja, Kalaivani","Crystal structure of trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2014","70","10","o1102","o1103","10.1107/S1600536814019977","","","0.71073","MoKα","","0.0758","0.0506","","","0.1429","0.1636","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239989","26.173","0.004","26.173","0.004","12.434","0.003","90","","90","","90","","8518","3","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","2-(1,3,7,9-Tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d']dipyrimidin-5-yl)benzamide N,N-dimethylformamide hemisolvate","","- C43 H43 N13 O11 -","- C43 H43 N13 O11 -","- C344 H344 N104 O88 -","8","0.5","HB7283","Ayvazyan, Armen","Crystal structure of 2-(1,3,7,9-tetramethyl-2,4,6,8-tetraoxo-1,2,3,4,6,7,8,9-octahydropyrido[2,3-d:6,5-d']dipyrimidin-5-yl)benzamide dimethylformamide hemisolvate","Acta Crystallographica Section E","2014","70","10","213","215","10.1107/S1600536814020200","","","0.71073","MoKα","","0.1277","0.0557","","","0.1088","0.1353","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239990","6.7292","0.0004","12.0367","0.0008","14.6737","0.0009","90","","99.262","0.001","90","","1173.04","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-n-butyrato-κ^2^O:O')bis[chloridorhenium(III)](Re—Re)","","- C16 H28 Cl2 O8 Re2 -","- C16 H28 Cl2 O8 Re2 -","- C32 H56 Cl4 O16 Re4 -","2","0.5","","Thomson, Michael P.; O'Rourke, Natasha F.; Wang, Ruiyao; Aquino, Manuel A. S.","Crystal structure of tetrakis(μ-n-butyrato-κ^2^O:O')bis[chloridorhenium(III)](Re—Re)","Acta Crystallographica Section E","2014","70","10","m349","m350","10.1107/S1600536814020273","","","0.71073","MoKα","","0.022","0.0192","","","0.0474","0.0486","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239991","7.4066","0.0007","8.0165","0.0008","10.22","0.0009","90","","101.888","0.006","90","","593.8","0.1","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-Hydroxypyrimidine-2-carboximidamide","","- C5 H6 N4 O -","- C5 H6 N4 O -","- C20 H24 N16 O4 -","4","1","SJ5423","Jasmine, Nithianantham Jeeva; Muthiah, Packianathan Thomas; Stanley, Nithianantham","Crystal structure of N'-hydroxypyrimidine-2-carboximidamide","Acta Crystallographica Section E","2014","70","10","o1107","o1108","10.1107/S1600536814020285","","","0.71073","MoKα","","0.0673","0.0537","","","0.163","0.1805","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239992","11.9776","0.0008","11.9776","0.0008","7.3455","0.0007","90","","90","","120","","912.62","0.12","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","catena-Poly[[potassium-tri-μ-dimethylacetamide-κ^6^O:O] iodide]","","- C12 H27 I K N3 O3 -","- C12 H27 I K N3 O3 -","- C24 H54 I2 K2 N6 O6 -","2","0.333333","ZL2601","Comanescu, Cezar-Catalin; Oliver, Allen G.","Crystal structure of catena-poly[[potassium-tri-μ-dimethylacetamide-κ^6^O:O] iodide]","Acta Crystallographica Section E","2014","70","10","196","198","10.1107/S1600536814020005","","","0.71073","MoKα","","0.0252","0.024","","","0.0586","0.0594","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239993","8.6563","0.0013","9.8819","0.0015","13.533","0.002","102.068","0.003","107.786","0.002","96.364","0.002","1058.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(±)-(3aR,5R,8bR)-5-Hydroperoxy-2-phenyl-6-tosyl-4,5,6,8b-tetrahydropyrrolo[3,4-e]indole-1,3(2H,3aH)-dione","","- C23 H20 N2 O6 S -","- C23 H20 N2 O6 S -","- C46 H40 N4 O12 S2 -","2","1","HB7256","Noland, Wayland E.; Gullickson, Glen C.; Dickson, Rozalin R.; Groess, Leah L.; Tritch, Kenneth J.","Crystal structure of (±)-(3aR,5R,8bR)-5-hydroperoxy-2-phenyl-6-tosyl-4,5,6,8b-tetrahydropyrrolo[3,4-e]indole-1,3(2H,3aH)-dione","Acta Crystallographica Section E","2014","70","10","192","195","10.1107/S1600536814019874","","","0.71073","MoKα","","0.0439","0.0364","","","0.1079","0.1161","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239994","6.84764","0.00017","7.27667","0.00018","19.1751","0.0005","90","","90","","90","","955.46","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Pyrimidin-2-yl)piperazin-1-ium chloride","","- C8 H13 Cl N4 -","- C8 H13 Cl N4 -","- C32 H52 Cl4 N16 -","4","1","HB7279","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate","Acta Crystallographica Section E","2014","70","10","203","206","10.1107/S1600536814020169","","","1.54184","CuKα","","0.0364","0.0347","","","0.0892","0.0908","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239995","10.5272","0.0006","7.223","0.0003","14.1575","0.0007","90","","107.341","0.006","90","","1027.58","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Pyrimidin-2-yl)piperazin-1-ium nitrate","","- C8 H13 N5 O3 -","- C8 H13 N5 O3 -","- C32 H52 N20 O12 -","4","1","HB7279","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate","Acta Crystallographica Section E","2014","70","10","203","206","10.1107/S1600536814020169","","","1.54184","CuKα","","0.062","0.0576","","","0.159","0.1626","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239996","8.9416","0.0007","11.0128","0.0009","18.4635","0.0015","81.441","0.001","83.428","0.001","86.977","0.001","1784.9","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Poly[aquabis(μ-nitrato-κ^4^O,O':O,O'')tetrakis(nitrato-κ^2^O,O'){μ~4~-tetraethyl [(ethane-1,2-diyl)bis(azanediyl)bis(2-oxoethane-2,1-diyl)]diphosphonate-κ^2^O,O'}disamarium(III)]","","- C14 H32 N8 O27 P2 Sm2 -","- C14 H32 N8 O27 P2 Sm2 -","- C28 H64 N16 O54 P4 Sm4 -","2","1","","Stoscup, Julie A.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a samarium(III) nitrate chain cross-linked by a bis-carbamoylmethylphosphine oxide ligand","Acta Crystallographica Section E","2014","70","10","188","191","10.1107/S1600536814020078","","","0.71073","MoKα","","0.0324","0.027","","","0.0645","0.0679","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239997","8.183","0.0002","11.2706","0.0002","14.5386","0.0004","90","","119.696","0.002","90","","1164.76","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-pentyloxybenzamide","2-pentyloxybenzamide","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","SU2779","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of 2-pentyloxybenzamide","Acta Crystallographica Section E","2014","70","10","231","234","10.1107/S1600536814020571","","","1.5418","CuKα","","0.0499","0.0409","","","0.1071","0.1152","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239998","6.6174","0.0008","26.668","0.004","10.0264","0.0013","90","","104.446","0.015","90","","1713.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ethylenediammonium Praseodymium(III) hexasulfate hexahydrate","tris(ethylenediammonium) di[praseodymium(III)] hexasulfate hexahydrate","","- C6 H42 N6 O30 Pr2 S6 -","- C6 H42 N6 O30 Pr2 S6 -","- C12 H84 N12 O60 Pr4 S12 -","2","0.5","WM5057","Held, Peter","Crystal structure of tris(ethylenediammonium) di[praseodymium(III)] hexasulfate hexahydrate","Acta Crystallographica Section E","2014","70","10","235","237","10.1107/S1600536814020704","","","0.71073","MoKα","","0.0419","0.0276","","","0.0631","0.0688","","","","","","0.967","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239999","8.485","0.002","10.336","0.002","12.057","0.003","80.515","0.003","88.008","0.003","86.249","0.004","1040.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4-((1E)-1-{(2Z)-2-[4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate","","- C23 H19 Br N3 O1.5 S -","- C23 H19 Br N3 O1.5 S -","- C46 H38 Br2 N6 O3 S2 -","2","1","QM2108","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 4-((1E)-1-{(2Z)-2-[4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate","Acta Crystallographica Section E","2014","70","10","o1124","o1125","10.1107/S1600536814019473","","","0.71073","MoKα","","0.0693","0.0462","","","0.1134","0.1264","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240000","14.0377","0.0005","12.9071","0.0005","14.2995","0.0005","90","","113.605","0.0008","90","","2374.09","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,3-Dimethyl-2-[(3-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1H-imidazole","","- C11 H12 N6 O2 -","- C11 H12 N6 O2 -","- C88 H96 N48 O16 -","8","2","SU2778","Patil, Siddappa; Bugarin, Alejandro","Crystal structure of (E)-1,3-dimethyl-2-[(3-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1H-imidazole","Acta Crystallographica Section E","2014","70","10","224","227","10.1107/S1600536814020698","","","0.71073","MoKα","","0.0811","0.0488","","","0.1143","0.1281","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240001","23.7638","0.0019","8.7046","0.0007","14.6559","0.0011","90","","102.133","0.003","90","","2963.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","N-dichlorofluoromethylthio-N',N'-dimethyl-N-p-tolylsulfamide","","- C10 H13 Cl2 F N2 O2 S2 -","- C10 H13 Cl2 F N2 O2 S2 -","- C80 H104 Cl16 F8 N16 O16 S16 -","8","1","SJ5426","Cho, Seonghwa; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho","Crystal structure of tolylfluanid","Acta Crystallographica Section E","2014","70","10","o1114","o1115","10.1107/S1600536814020741","","","0.71073","MoKα","","0.0742","0.0575","","","0.1302","0.1346","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240002","15.7102","0.0005","10.7491","0.0003","24.3648","0.0007","90","","90","","90","","4114.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(1H-Indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C216 H152 N24 O8 -","8","1","HB7280","Vishnupriya, R.; Suresh, J.; Sakthi, Marimuthu; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","o1120","o1121","10.1107/S1600536814020170","","","0.71073","MoKα","","0.0582","0.0387","","","0.0915","0.1039","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240003","11.8746","0.0006","12.2023","0.0005","13.776","0.0006","97.557","0.003","110.52","0.002","113.866","0.002","1620.2","0.14","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C60 H80 Br4 N4 O8 -","4","2","HG5408","Zukerman-Schpector, Julio; Caracelli, I.; Stefani, Hélio A.; Khan, Amna N.; Tiekink, Edward R. T.","Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate","Acta Crystallographica Section E","2014","70","10","o1122","o1123","10.1107/S1600536814020832","","","0.71073","MoKα","","0.0734","0.0452","","","0.1155","0.1291","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240004","10.9391","0.0006","10.4655","0.0004","13.3159","0.0005","90","","97.419","0.004","90","","1511.68","0.12","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","moexipril hydrochloride","[(2S)-1-[(3S)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","","- C29 H38 Cl N3 O7 -","- C29 H38 Cl N3 O7 -","- C58 H76 Cl2 N6 O14 -","2","1","KQ2014","Li, Ai-zhen; Xu, Wen-jie","Crystal structure of [(2S)-1-[(3S)-3-carboxy-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]-1-oxopropan-2-yl][(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium chloride acetonitrile monosolvate","Acta Crystallographica Section E","2014","70","10","o1126","o1127","10.1107/S160053681402090X","","","1.54184","CuKα","","0.0341","0.0331","","","0.0858","0.0869","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240005","12.7371","0.0003","10.9189","0.0003","11.63","0.0003","90","","92.661","0.001","90","","1615.7","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bromodinaphthylantimony","Bromidobis(naphthalen-1-yl)antimony(III)","","- C20 H14 Br Sb -","- C20 H14 Br Sb -","- C80 H56 Br4 Sb4 -","4","1","","bin Shawkataly, Omar; Hussien Abdelnasir, Hafiz Malik; Rosli, Mohd Mustaqim","Crystal structure of bromidobis(naphthalen-1-yl)antimony(III)","Acta Crystallographica Section E","2014","70","10","m351","","10.1107/S1600536814020066","","","0.71073","MoKα","","0.0699","0.0598","","","0.186","0.1975","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240006","9.897","0.002","11.8","0.002","14.202","0.003","91.59","0.03","95.32","0.03","104.7","0.03","1595.1","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Bromobutyl)-9H-fluorene-9-carboxylic acid","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C72 H68 Br4 O8 -","4","2","","Zhang, Xu-Yang; Liu, Bing-Ni; Wang, Ping-Bao; Liu, Deng-Ke","Crystal structure of 9-(4-bromobutyl)-9H-fluorene-9-carboxylic acid","Acta Crystallographica Section E","2014","70","10","o1118","o1119","10.1107/S1600536814019564","","","0.71073","MoKα","","0.0829","0.0409","","","0.081","0.0924","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240007","7.6163","0.0004","12.7215","0.0007","17.3478","0.0009","108.238","0.001","92.247","0.002","101.512","0.001","1554.93","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis-(4-dimethylaminopyridinium) bis-(2-nitrobenzoate) trihydrate","","- C14 H18 N3 O5.5 -","- C14 H18 N3 O5.5 -","- C56 H72 N12 O22 -","4","2","SU2777","Sivakumar, N.; Muralidharan, S.; Chakkaravarthi, G.; Velmurugan, D.; Anbalagan, G.","Crystal structure of bis-(4-dimethylaminopyridinium) bis-(2-nitrobenzoate) trihydrate","Acta Crystallographica Section E","2014","70","10","221","223","10.1107/S1600536814020583","","","0.71073","MoKα","","0.061","0.0492","","","0.1414","0.1535","","","","","","1.04","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2240008","6.8655","0.0014","8.1623","0.0016","14.285","0.003","73.97","0.03","88.86","0.03","73.35","0.03","735.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(5-chloro-9,10-anthraquinone-1-carboxylato-κO)tetraaquacobalt(II) dihydrate","","- C30 H24 Cl2 Co O14 -","- C30 H24 Cl2 Co O14 -","- C30 H24 Cl2 Co O14 -","1","0.5","","Cai, Wen-Juan; Liu, Bo; Liu, Feng-Yi; Kou, Jun-Feng","Crystal structure of bis(5-chloro-9,10-anthraquinone-1-carboxylato-κO)tetraaquacobalt(II) dihydrate","Acta Crystallographica Section E","2014","70","10","m357","m358","10.1107/S1600536814020972","","","0.71073","MoKα","","0.0841","0.052","","","0.1351","0.1789","","","","","","1.115","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240009","17.7242","0.0005","14.2576","0.0005","17.4321","0.0007","90","","116.259","0.003","90","","3950.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","4-Aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","","- C17 H16 N6 O7.5 cl -","- C17 H16 Cl N6 O7.5 -","- C136 H128 Cl8 N48 O60 -","8","1","SU2786","Vaduganathan, Manickkam; Doraisamyraja, Kalaivani","Crystal structure of 4-aminopyridinium 5-(5-chloro-2,4-dinitrophenyl)-1,3-dimethylbarbiturate hemihydrate","Acta Crystallographica Section E","2014","70","10","256","258","10.1107/S1600536814021084","","","0.71073","MoKα","","0.0882","0.0563","","","0.1383","0.1752","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240010","8.983","0.005","13.241","0.005","14.269","0.005","99.89","0.005","99.204","0.005","105.519","0.005","1572.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]\ pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline] chloroform solvate","","- C34 H24 Cl4 N4 O3 S -","- C34 H24 Cl4 N4 O3 S -","- C68 H48 Cl8 N8 O6 S2 -","2","1","RN2127","Sivakumar, Nithya; Viswanathan, Vijayan; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline] chloroform solvate","Acta Crystallographica Section E","2014","70","10","o1111","o1112","10.1107/S1600536814020601","","","0.71073","MoKα","","0.0532","0.0433","","","0.1131","0.1211","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240011","10.99","0.0002","15.9297","0.0003","11.0178","0.0003","90","","119.884","0.001","90","","1672.39","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","{(VOLaOME)2}","Di-μ-methanolato-κ^4^O:O-bis[N'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^O,N',O']oxidovanadium(V)]","","- C32 H30 N4 O8 S2 V2 -","- C32 H30 N4 O8 S2 V2 -","- C64 H60 N8 O16 S4 V4 -","2","0.5","WM5059","Carroccia, Murilo C.; Pesci, Rafaela B. P.; da Maia, Pedro Ivo; Deflon, Victor M.","Crystal structure of di-μ-methanolato-bis[N'-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ^3^O,N',O']oxidovanadium(V)]","Acta Crystallographica Section E","2014","70","10","m353","m354","10.1107/S1600536814020327","","","0.71073","MoKα","","0.0335","0.0288","","","0.0796","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240012","8.8756","0.0002","9.3917","0.0002","11.0284","0.0002","65.735","0.001","80.735","0.001","71.145","0.001","792.68","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-Ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran","","- C18 H17 F O3 S -","- C18 H17 F O3 S -","- C36 H34 F2 O6 S2 -","2","1","ZP2015","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","10","249","251","10.1107/S1600536814019436","","","0.71073","MoKα","","0.0418","0.0373","","","0.1044","0.1081","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240013","9.5807","0.0008","15.172","0.0013","8.737","0.0008","90","","93.618","0.0011","90","","1267.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","SJ5428","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2014","70","10","o1131","o1132","10.1107/S1600536814020984","","","0.71073","MoKα","","0.061","0.0438","","","0.1051","0.1136","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240014","10.1458","0.0001","10.609","0.0001","11.0435","0.0002","89.5708","0.0006","72.5903","0.0006","70.7146","0.0007","1065.07","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole methanol solvate","","- C21 H27 N3 O7 -","- C21 H27 N3 O7 -","- C42 H54 N6 O14 -","2","1","SJ5427","Madadi, Nikhil Reddy; Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Crystal structure of 4,5-bis(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole methanol solvate","Acta Crystallographica Section E","2014","70","10","o1128","o1129","10.1107/S1600536814020911","","","0.71073","MoKα","","0.0571","0.0447","","","0.1178","0.1273","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240015","13.8611","0.0003","5.8334","0.00001","16.9942","0.0003","90","","125.998","0.001","90","","1111.7","0.03","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis{2-[(E)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^N,O^1^}nickel(II)","Bis{2-[(E)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^N,O^1^}nickel(II)","","- C28 H22 F2 N2 Ni O2 -","- C28 H22 F2 N2 Ni O2 -","- C56 H44 F4 N4 Ni2 O4 -","2","0.5","SJ5425","Tajuddin, Amalina Mohd; Bahron, Hadariah; Hanafiah, Rohazila Mohammad; Ibrahim, Nazlina; Fun, Hoong-Kun; Chantrapromma, Suchada","Crystal structure of bis{2-[(E)-(4-fluorobenzyl)iminomethyl]phenolato- K^2^N,O^1^}nickel(II)","Acta Crystallographica Section E","2014","70","10","252","255","10.1107/S1600536814020546","","","0.71073","MoKα","","0.0318","0.0277","","","0.0693","0.0724","","","","","","1.053","","","","has coordinates,has Fobs","194595","2020-10-21","18:00:00",""
"2240016","6.9632","0.0004","35.846","0.002","7.7879","0.0005","90","","100.375","0.003","90","","1912.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[4-(Benzyloxy)phenyl]-2,3-dihydro-1H-benzo[f]chromen-1-one","","- C26 H19 O3 -","- C26 H19 O3 -","- C104 H76 O12 -","4","1","","Vasanthi, R.; Reuben Jonathan, D.; Ezhilarasi, K. S.; Sathya, S.; Usha, G.","Crystal structure of 3-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-benzo[f]chromen-1-one","Acta Crystallographica Section E","2014","70","10","o1116","o1117","10.1107/S1600536814020868","","","0.71073","MoKα","","0.0815","0.0579","","","0.1544","0.1719","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240017","5.284","0.0008","11.0323","0.0016","14.902","0.002","107.318","0.002","91.59","0.002","99.528","0.002","815.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","4-Chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)\ pyridazin-3(2H)-one","","- C14 H18 Cl N5 O2 S -","- C14 H18 Cl N5 O2 S -","- C28 H36 Cl2 N10 O4 S2 -","2","1","TK5340","Li, Hongsen; Ren, Xinfeng; Li, Ya; Zhao, Linjing","Crystal structure of 4-chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)pyridazin-3(2H)-one","Acta Crystallographica Section E","2014","70","10","o1113","","10.1107/S1600536814020662","","","0.71073","MoKα","","0.0435","0.0386","","","0.1174","0.1213","","","","","","1.581","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240018","23.506","0.009","9.665","0.004","11.344","0.005","90","","94.223","0.007","90","","2570.2","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium monohydrate","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C104 H156 N4 O32 -","4","1","","Lou, Benyong","Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium monohydrate: a new solid form of seratrodast","Acta Crystallographica Section E","2014","70","10","228","230","10.1107/S1600536814020625","","","0.71073","MoKα","","0.1284","0.0736","","","0.2085","0.288","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240019","18.056","0.005","10.294","0.005","21.451","0.005","90","","93.268","0.005","90","","3981","2","110","0.1","110","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-{1'-[3,5-Bis(trifluoromethyl)phenyl]-1,1'-ferrocenediyl}-4-bromothiophene","","- C22 H13 Br F6 Fe S -","- C22 H13 Br F6 Fe S -","- C176 H104 Br8 F48 Fe8 S8 -","8","1","","Poppitz, Elisabeth A.; Korb, Marcus; Lang, Heinrich","Crystal structure of 3-(1'-(3,5-bis(trifluoromethyl)phenyl)-1,1'-ferrocenediyl)-4-bromothiophene","Acta Crystallographica Section E","2014","70","10","238","241","10.1107/S1600536814020674","","","0.71073","MoKα","","0.0621","0.0438","","","0.1146","0.1251","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240020","7.266","0.004","20.93","0.01","18.2","0.009","90","","95.038","0.006","90","","2757","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Al O -","- C32 H47 Al O -","- C128 H188 Al4 O4 -","4","1","XU5813","Wang, Lei; Yang, Li","Crystal structure of (2,6-di-adamantyl-4-tert-butyl-phenolato-{κO})(di-methyl-{κC})aluminium(III)","Acta Crystallographica Section E","2014","70","10","m352","","10.1107/S1600536814020492","","","0.71073","MoKα","","0.1684","0.0799","","","0.1938","0.219","","","","","","1.001","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240021","14.2619","0.001","8.62","0.0011","15.4685","0.0018","90","","94.188","0.007","90","","1896.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Mn N5 -","- C48 H36 Mn N5 -","- C96 H72 Mn2 N10 -","2","0.5","ZL2598","Shields, Mason R.; Guzei, Ilia A.; Goll, James G.","5,10,15,20-tetrakis-tetratolylporphyrinatonitridomanganese(V)","Acta Crystallographica Section E","2014","70","10","242","245","10.1107/S1600536814020558","","","1.54178","CuKα","","0.0581","0.0505","","","0.1267","0.1306","","","","","","1.031","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240022","7.1332","0.0002","13.922","0.0003","11.4066","0.0003","90","","101.405","0.002","90","","1110.4","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undeca-8,11-dione ethylene dithioketal","","- C13 H14 O S2 -","- C13 H14 O S2 -","- C52 H56 O4 S8 -","4","1","","Kotha, Sambasivarao; Sreenivasachary, Nampalli; Deodhar, Deepak; Shaikh, Mobin","Crystal structure of the cage derivative pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undeca-8,11-dione ethylene dithioketal","Acta Crystallographica Section E","2014","70","10","246","248","10.1107/S1600536814020790","","","0.71073","MoKα","","0.0307","0.0288","","","0.0814","0.0821","","","","","","1.108","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240023","13.4491","0.0004","14.9488","0.0005","16.126","0.0005","73.387","0.002","71.208","0.002","77.794","0.003","2915.6","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis(4-hexyl-5-iodothiophen-2-yl)-4,5,6,7-tetrahydro-2-benzothiophene","","- C28 H36 I2 S3 -","- C28 H36 I2 S3 -","- C112 H144 I8 S12 -","4","2","","Linshoeft, Julian; Näther, Christian; Staubitz, Anne","Crystal structure of 1,3-bis(4-hexyl-5-iodothiophen-2-yl)-4,5,6,7-tetrahydro-2-benzothiophene","Acta Crystallographica Section E","2014","70","10","o1133","o1134","10.1107/S1600536814019667","","","0.71073","MoKα","","0.0487","0.0341","","","0.0802","0.0853","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240024","29.094","0.003","4.9911","0.0003","18.312","0.002","90","","98.867","0.008","90","","2627.3","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[4-(4-chlorobenzyl)pyridine-κN]bis(thiocyanato-κN)zinc","","- C26 H20 Cl2 N4 S2 Zn -","- C26 H20 Cl2 N4 S2 Zn -","- C104 H80 Cl8 N16 S8 Zn4 -","4","0.5","WM5054","Werner, Julia; Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis[4-(4-chlorobenzyl)pyridine-κN]bis(thiocyanato-κN)zinc","Acta Crystallographica Section E","2014","70","10","m355","m356","10.1107/S160053681402039X","","","0.71073","MoKα","","0.099","0.0631","","","0.1324","0.1482","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240025","16.374","0.002","6.8898","0.001","15.208","0.002","90","","90","","90","","1715.7","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","trans-Acetyldicarbonyl-(η^5^-cyclopentadienyl)-\\ (dimethylphenylphosphine)-molybdenum(II)","","- C17 H19 Mo O3 P -","- C17 H19 Mo O3 P -","- C68 H76 Mo4 O12 P4 -","4","1","","Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.","Crystal structures of trans-acetyldicarbonyl({η}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and trans-acetyldicarbonyl({η}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2014","70","10","216","220","10.1107/S1600536814020534","","","0.71075","MoKα","","0.025","0.0214","","","0.0435","0.0447","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240026","8.2451","0.0008","11.6132","0.0011","12.5265","0.0012","63.617","0.004","77.167","0.005","84.671","0.006","1047.65","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Mo O3 P -","- C23 H23 Mo O3 P -","- C46 H46 Mo2 O6 P2 -","2","1","","Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.","Crystal structures of trans-acetyldicarbonyl({η}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and trans-acetyldicarbonyl({η}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2014","70","10","216","220","10.1107/S1600536814020534","","","0.71073","MoKα","","0.0327","0.0282","","","0.0661","0.0684","","","","","","1.087","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240027","10.126","0.002","11.09","0.002","12.246","0.002","109.58","0.03","111.5","0.03","91.32","0.03","1188.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3,3'-[(4-chlorophenyl)methylene]bis(1H-indole-2-carboxylate)","","- C27 H21 Cl N2 O4 -","- C27 H21 Cl N2 O4 -","- C54 H42 Cl2 N4 O8 -","2","1","","Li, Yu-long; Sun, Hong-shun; Jiang, Hong; Xu, Ning; Xu, Hong","Crystal structure of dimethyl 3,3'-[(4-chlorophenyl)methylene]bis(1H-indole-2-carboxylate)","Acta Crystallographica Section E","2014","70","10","259","261","10.1107/S1600536814020686","","","0.71073","MoKα","","0.1038","0.057","","","0.1495","0.1768","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240028","9.135","0.0018","12.852","0.003","13.607","0.003","103.69","0.03","105.07","0.03","101.25","0.03","1441.6","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","trans-Difluoridotetrakis-(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate","","- C25 H27 Cl3 Cr F2 N5 O Zn -","- C25 H27 Cl3 Cr F2 N5 O Zn -","- C50 H54 Cl6 Cr2 F4 N10 O2 Zn2 -","2","1","LH5726","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of trans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data","Acta Crystallographica Section E","2014","70","11","290","293","10.1107/S160053681402145X","","","0.62998","synchrotron","","0.0379","0.0372","","","0.0991","0.0996","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240029","5.793","0.003","14.091","0.003","22.064","0.007","90","","98.945","0.017","90","","1779.2","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trimethylposphinesulfidecopper(I) thiocyanate","Poly[(μ~3~-thiocyanato-κ^3^N:S:S)(trimethylphosphine sulfide-κS)copper(I)]","","- C4 H9 Cu N P S2 -","- C4 H9 Cu N P S2 -","- C32 H72 Cu8 N8 P8 S16 -","8","2","PK2530","Corfield, Peter W. R.","Crystal structure of poly[(μ~3~-thiocyanato-κ^3^N:S:S)(trimethylphosphine sulfide-κS)copper(I)]","Acta Crystallographica Section E","2014","70","11","281","285","10.1107/S1600536814021412","","","1.5418","CuKα","","0.0406","0.0265","","","0.0649","0.0755","","","","","","0.787","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240030","9.5894","0.0005","12.5007","0.0007","12.3709","0.0008","90","","109.984","0.007","90","","1393.66","0.15","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Valeroyl-beta-3-Ac6c-OH","2-(1-Pentanamidocyclohexyl)acetic acid","","- C13 H23 N O3 -","- C13 H23 N O3 -","- C52 H92 N4 O12 -","4","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.1047","0.0683","","","0.1803","0.2132","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240031","6.0834","0.0004","12.7642","0.0009","12.8399","0.0009","94.018","0.006","92.295","0.006","100.489","0.006","976.53","0.12","291","","291","","","","","","","","","4","P -1","-P 1","2","Fmoc-beta-3,3-Ac6c-OH","2-(1-{[(9H-fluoren-9-yloxy)carbonyl]amino}cyclohexyl)acetic acid","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.127","0.0543","","","0.0673","0.086","","","","","","0.974","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240032","8.7135","0.0001","10.5321","0.0001","14.3907","0.0002","90","","90","","90","","1320.66","0.03","291","","291","","","","","","","","","4","P c a 21","P 2c -2ac","29","Pyr-beta-3,3-Ac6c-OH","2-[1-(Pyrazine-2-amido)cyclohexyl]acetic acid","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives","Acta Crystallographica Section E","2014","70","11","272","277","10.1107/S1600536814020777","","","0.71073","MoKα","","0.0462","0.0418","","","0.1019","0.1056","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240033","8.36074","0.00015","15.5479","0.0003","23.6898","0.0004","90","","94.163","0.001","90","","3071.36","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorobenzoyl)-2,7-dimethoxynaphthalene","","- C19 H15 F O3 -","- C19 H15 F O3 -","- C152 H120 F8 O24 -","8","2","RZ5132","Mohri, Saki; Ohisa, Shinji; Tsumuki, Takehiro; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 1-(2-fluorobenzoyl)-2,7-dimethoxynaphthalene","Acta Crystallographica Section E","2014","70","11","278","280","10.1107/S1600536814020807","","","1.54187","CuKα","","0.0554","0.0431","","","0.1167","0.1246","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240034","7.949","0.004","10.134","0.005","16.444","0.008","105.43","0.05","95.37","0.04","102.17","0.04","1232.4","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","meso-Tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate","","- C56 H36 N10 O12 -","- C56 H36 N10 O12 -","- C56 H36 N10 O12 -","1","0.5","XU5821","Seredyuk, Maksym; Gumienna‒Kontecka, Elzbieta; Brzuszkiewicz, Anna; Iskenderov, Turganbay S.; Kalibabchuk, Valentina A.","Crystal structure of meso-tetrakis(4-nitrophenyl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section E","2014","70","11","o1147","o1148","10.1107/S1600536814021503","","","0.71073","MoKα","","0.1211","0.0863","","","0.2503","0.2752","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240035","8.5205","0.0006","12.0394","0.0007","31.4321","0.0018","90","","92.982","0.006","90","","3220","0.3","200","1","200","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1)","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1)","","- C15 H11 Br N4 O4 S -","- C15 H11 Br N4 O4 S -","- C120 H88 Br8 N32 O32 S8 -","8","1","LH5731","Smith, Graham; Lynch, Daniel E.","Crystal structures of the co-crystalline adduct 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","11","294","297","10.1107/S1600536814021138","","","0.71073","MoKα","","0.0621","0.0444","","","0.0861","0.0934","","","","","","1.054","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240036","5.8017","0.0003","10.1903","0.0005","15.1592","0.0009","88.884","0.004","82.438","0.005","85.47","0.004","885.62","0.08","200","1","200","1","","","","","","","","6","P -1","-P 1","2","2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 3,5-dinitrosalicylate","2-Amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","","- C15 H10 Br N5 O7 S -","- C15 H10 Br N5 O7 S -","- C30 H20 Br2 N10 O14 S2 -","2","1","LH5731","Smith, Graham; Lynch, Daniel E.","Crystal structures of the co-crystalline adduct 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine‒4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2014","70","11","294","297","10.1107/S1600536814021138","","","0.71073","MoKα","","0.0852","0.0576","","","0.1196","0.134","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240037","11.2244","0.0004","6.8288","0.0003","11.6641","0.0005","90","","104.577","0.002","90","","865.26","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","SJ5429","Haress, Nadia G.; Ghabbour, Hazem A.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione","Acta Crystallographica Section E","2014","70","11","o1144","o1145","10.1107/S1600536814021382","","","1.54178","CuKα","","0.0414","0.0395","","","0.112","0.1138","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240038","8.894","0.002","13.7187","0.0016","10.68","0.002","90","","111.575","0.017","90","","1211.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4'-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl-\ methyl)-biphenyl-4-ol methanol disolvate","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","HB7266","Altomare, Angela; Capparelli, Elena; Carrieri, Antonio; Colabufo, Nicola A.; Moliterni, Anna; Rizzi, Rosanna; Siliqi, Dritan","Crystallographic study of PET radiotracers in clinical evaluation for early diagnosis of Alzheimers","Acta Crystallographica Section E","2014","70","11","o1149","o1150","10.1107/S1600536814021400","","","0.71073","MoKα","","0.1666","0.0607","","","0.0899","0.1147","","","","","","0.964","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240039","7.627","0.0017","7.2603","0.0016","13.58","0.003","90","","91.91","0.02","90","","751.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[(5-amino-1H-1,2,4-triazol-3-yl-κN^4^)acetato-κO]diaquanickel(II) dihydrate","","- C8 H18 N8 Ni O8 -","- C8 H18 N8 Ni O8 -","- C16 H36 N16 Ni2 O16 -","2","0.5","WM5066","Chernyshev, Victor M.; Chernysheva, Anna V.; Abagyan, Raisa S.; Rybakov, Victor B.","Crystal structure of bis[(5-amino-1H-1,2,4-triazol-3-yl-κN^4^)acetato-κO]diaquanickel(II) dihydrate","Acta Crystallographica Section E","2014","70","11","286","289","10.1107/S1600536814021436","","","0.56085","AgKα","","0.0581","0.0345","","","0.0693","0.0767","","","","","","1.016","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240040","6.5224","0.0014","15.216","0.003","29.934","0.006","90","","94.296","0.003","90","","2962.4","1","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒isophthalic acid (1/1)","","- C33 H38 N4 O6 -","- C33 H38 N4 O6 -","- C132 H152 N16 O24 -","4","1","HG5409","Murray, Nathan H.; Biros, Shannon M.; LaDuca, Robert L.","Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]‒isophthalic acid (1/1)","Acta Crystallographica Section E","2014","70","11","298","300","10.1107/S1600536814021679","","","0.71073","MoKα","","0.1012","0.0484","","","0.0915","0.1096","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240041","8.3037","0.0011","7.0999","0.0006","12.0767","0.0015","90","","93.402","0.013","90","","710.73","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Ethoxypyridin-1-ium-2-olate","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C28 H36 N4 O8 -","4","1","ZQ2227","Luo, Kaijun; Guo, Qing; Wang, Yan; Luo, Daibing","Crystal structure of 6-ethoxypyridin-1-ium-2-olate","Acta Crystallographica Section E","2014","70","11","o1146","","10.1107/S1600536814020224","","","0.71073","MoKα","","0.0843","0.0553","","","0.1268","0.1504","","","","","","1.09","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240042","11.8565","0.0004","18.0786","0.0005","20.5785","0.0006","90","","105.981","0.003","90","","4240.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^O^1^,O^6^)iron(III) acetonitrile hemisolvate","","- C19 H21.5 Cl Fe N0.5 O7 -","- C19 H21.5 Cl Fe N0.5 O7 -","- C152 H172 Cl8 Fe8 N4 O56 -","8","2","LH5728","Jiang, Xi-Fu; Zhao, Ru-Xia; Zhang, Shu-Hua","Crystal structure of aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^O^1^,O^6^)iron(III) acetonitrile hemisolvate","Acta Crystallographica Section E","2014","70","11","269","271","10.1107/S1600536814021205","","","0.71073","MoKα","","0.0491","0.0366","","","0.0887","0.0972","","","","","","1.004","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240043","8.7884","0.0017","11.334","0.004","11.897","0.002","64.91","0.05","82.04","0.06","87.98","0.07","1062.5","0.7","120","","120","","","","","","","","","6","P -1","-P 1","2","","Di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl)amine}dicobalt(II) bis(tetrafluoridoborate)","","- C42 H48 B2 Co2 F10 N8 -","- C42 H48 B2 Co2 F10 N8 -","- C42 H48 B2 Co2 F10 N8 -","1","0.5","IS5368","Inomata, Masataka; Suenaga, Yusaku","Crystal structure of a dinuclear Co^II^ complex with bridging fluoride ligands: di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl]amine}dicobalt(II) bis(tetrafluoridoborate)","Acta Crystallographica Section E","2014","70","11","m359","m360","10.1107/S1600536814021631","","","0.71075","MoKα","","0.0703","0.0527","","","0.1398","0.1569","","","","","","1.013","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240044","9.2752","0.0004","35.7838","0.0015","10.9515","0.0005","90","","100.721","0.004","90","","3571.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","Triphenyl(vinyl)phosphonium tetraphenylborate","","- C45 H40 B P -","- C45 H40 B P -","- C180 H160 B4 P4 -","4","2","","Bradfield, Joseph L.; Braun, Richard A.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; Mirjafari, Arsalan","Crystal structure of triphenyl(vinyl)phosphonium tetraphenylborate","Acta Crystallographica Section E","2014","70","10","o1143","","10.1107/S1600536814021357","","","0.7107","MoKα","","0.088","0.058","","","0.0947","0.1054","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240045","7.5041","0.0005","15.4848","0.0009","15.5589","0.001","71.963","0.005","80.731","0.005","76.832","0.005","1665.87","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(4Z)-1-(3,4-Dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C72 H56 Cl8 N8 O8 -","4","2","","Sharma, Naresh; Parihar, Sanjay; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one","Acta Crystallographica Section E","2014","70","10","o1136","o1137","10.1107/S160053681402114X","","","0.71073","MoKα","","0.1079","0.0542","","","0.112","0.1403","","","","","","0.993","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240046","3.8199","0.0004","14.0706","0.0016","12.1066","0.0015","90","","97.715","0.003","90","","644.82","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-bis(2-Chlorophenyl)-1,2,4,5-tetrazine","","- C14 H8 Cl2 N4 -","- C14 H8 Cl2 N4 -","- C28 H16 Cl4 N8 -","2","0.5","NK2226","Kang, Gihaeng; Cho, Seonghwa; Lee, Sangjin; Kim, Tae Ho","Crystal structure of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine: the acaricide clofentezine","Acta Crystallographica Section E","2014","70","10","o1135","","10.1107/S1600536814021291","","","0.71073","MoKα","","0.0457","0.0375","","","0.0912","0.0955","","","","","","1.067","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240047","7.511","0.0005","4.9298","0.0003","16.6625","0.0016","90","","93.268","0.006","90","","615.97","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","LH5729","Kote, Santosh R.; Thopate, Shankar R.; Gupta, Sushil K.; Butcher, Ray J.","Crystal structure of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-phenyl-2,5-dihydrofuran-2-one","Acta Crystallographica Section E","2014","70","10","o1141","o1142","10.1107/S1600536814021370","","","0.71073","MoKα","","0.1409","0.0592","","","0.0976","0.1263","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240048","7.8853","0.0002","9.0404","0.0003","9.4801","0.0003","70.66","0.004","73.817","0.003","75.145","0.002","602.28","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate","","- C28 H26 O6 -","- C28 H26 O6 -","- C28 H26 O6 -","1","0.5","TK5342","Kang, Sung Kwon; Han, Byung Hee","Crystal structure of bis(4-allyl-2-methoxyphenyl) terephthalate","Acta Crystallographica Section E","2014","70","10","o1138","","10.1107/S1600536814021229","","","0.71073","MoKα","","0.073","0.0508","","","","0.1727","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240049","14.7955","0.0004","3.99062","0.00015","22.924","0.0008","90","","96.906","0.003","90","","1343.69","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Bromobenzoic acid","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C56 H40 Br8 O16 -","8","1","SU2783","Kowalska, Kornelia; Trzybiński, Damian; Sikorski, Artur","Crystal structure of 2-bromobenzoic acid at 120K: a redetermination","Acta Crystallographica Section E","2014","70","10","o1139","o1140","10.1107/S160053681402087X","","","1.54184","CuKα","","0.0352","0.0345","","","0.0902","0.0906","","","","","","1.178","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240050","11.7027","0.0003","21.7157","0.0007","13.9377","0.0004","90","","97.938","0.002","90","","3508.08","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,11-Diaza[3.3](2,6)pyridinophane-\ κ^4^N,N',N'',N''')(1,6,7,12-tetraazaperylene-\ κ^2^N^1^,N^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate","","- C32.84 H28.27 F12 N9.42 P2 Ru -","- C32.843 H28.2645 F12 N9.4215 P2 Ru -","- C131.372 H113.058 F48 N37.686 P8 Ru4 -","4","1","ZL2602","Brietzke, Thomas; Rottke, Falko Otto; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen","Crystal structure of (2,11-diaza[3.3](2,6)pyridinophane-{κ}^4^N,N',N'',N''')(1,6,7,12-tetraazaperylene-{κ}^2^N^1^,N^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate","Acta Crystallographica Section E","2014","70","10","265","268","10.1107/S1600536814021060","","","0.71073","MoKα","","0.0567","0.0476","","","0.14","0.1461","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240051","13.527","0.0003","10.015","0.0002","15.256","0.0003","90","","113.803","0.001","90","","1890.97","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one","","- C21 H20 Cl F2 N O2 -","- C21 H20 Cl F2 N O2 -","- C84 H80 Cl4 F8 N4 O8 -","4","1","LH5727","Jothivel, S.; Kotoky, Jibon; Kabilan, S.","Crystal structure of 1-(2-chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one","Acta Crystallographica Section E","2014","70","10","262","264","10.1107/S1600536814021278","","","0.71073","MoKα","","0.0518","0.0383","","","0.0868","0.0974","","","","","","1.015","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240052","10.3862","0.0015","10.3862","0.0015","9.2089","0.0014","90","","90","","120","","860.3","0.2","100","1","100","1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Diammonium hexaphosphitopentaferrate(II)","","- Fe5 H14 N2 O18 P6 -","- Fe5 H6 N2.0004 O18 P6 -","- Fe10 H12 N4.0008 O36 P12 -","2","0.166667","","Berrocal, Teresa; Mesa, Jose Luis; Larrea, Edurne; Arrieta, Juan Manuel","Crystal structure of (NH~4~)~2~[Fe^II^~5~(HPO~3~)~6~], a new open-framework phosphite","Acta Crystallographica Section E","2014","70","11","309","311","10.1107/S1600536814021783","","","0.71073","MoKα","","0.0364","0.0332","","","0.0632","0.0651","","","","","","1.168","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240053","6.6797","0.0003","10.0238","0.0004","10.7851","0.0005","90.98","0.004","107.573","0.004","92.138","0.003","687.64","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Chlorophenyl)-2-oxoethyl 3-bromobenzoate","","- C15 H10 Br Cl O3 -","- C15 H10 Br Cl O3 -","- C30 H20 Br2 Cl2 O6 -","2","1","HG5410","Khan, Imtiaz; Ibrar, Aliya; Hameed, Shahid; White, Jonathan M.; Simpson, Jim","Crystal structure of 2-(4-chlorophenyl)-2-oxoethyl 3-bromobenzoate","Acta Crystallographica Section E","2014","70","11","301","304","10.1107/S1600536814021643","","","0.71073","MoKα","","0.0303","0.0266","","","0.0616","0.0638","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240054","7.8969","0.0002","8.1489","0.0002","24.3146","0.0006","90","","96.21","0.001","90","","1555.49","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","MW2127","Choi, Hong Dae; Lee, Uk","Crystal structure of 3-(2-bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1152","","10.1107/S1600536814021850","","","0.71073","MoKα","","0.0446","0.0309","","","0.0748","0.0802","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240055","12.9784","0.0018","13.0834","0.0018","16.734","0.002","72.754","0.002","75.891","0.002","89.551","0.002","2625.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","5105","[(1,2,3,4,11,12-η)-Anthracene]tris(trimethylstannyl)cobalt(III)","","- C23 H37 Co Sn3 -","- C23 H37 Co Sn3 -","- C92 H148 Co4 Sn12 -","4","2","BG2536","Brennessel, William W.; Ellis, John E.","Crystal structure of [(1,2,3,4,11,12-η)-anthracene]tris(trimethylstannyl)cobalt(III)","Acta Crystallographica Section E","2014","70","11","312","315","10.1107/S1600536814021709","","","0.71073","MoKα","","0.0521","0.0375","","","0.0804","0.0856","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240056","6.3702","0.0007","20.647","0.002","9.2717","0.001","90","","98.365","0.003","90","","1206.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-N-Methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C48 H44 N12 O8 S4 -","4","1","HB7287","Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, C.; SubbiahPandi, A.","Crystal structure of (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","11","o1151","","10.1107/S1600536814021667","","","0.71073","MoKα","","0.0769","0.0427","","","0.1087","0.1313","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240057","7.207","0.001","11.047","0.001","13.619","0.001","95.3","0.01","99.81","0.01","99.05","0.01","1047.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium","","- C19 H22 N3 Na Ni O8 -","- C19 H22 N3 Na Ni O8 -","- C38 H44 N6 Na2 Ni2 O16 -","2","1","ZL2599","Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Konovalova, Irina S.; Amirkhanov, Vladimir M.","Crystal structure of {μ-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(methanol)(nitrato)nickel(II)sodium","Acta Crystallographica Section E","2014","70","11","305","308","10.1107/S160053681402159X","","","0.71073","MoKα","","0.0615","0.0354","","","0.0761","0.0809","","","","","","0.903","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240058","9.9238","0.0013","7.3322","0.001","23.028","0.003","90","","90","","90","","1675.6","0.4","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Methyl 3-phenyl-1,3,4,5-tetrahydro-2-benzoxepine-4-carboxylate","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0562","0.0361","","","0.0787","0.0888","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240059","9.1115","0.0007","9.647","0.0008","19.4856","0.0015","90","","90","","90","","1712.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-methyl-3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0613","0.037","","","0.0774","0.0894","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240060","6.4531","0.0006","13.6967","0.0013","17.9352","0.0017","90","","93.636","0.001","90","","1582","0.3","153","2","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tert-Butyl-N-phenylcarbonitrilium tetrachloridoaluminate","2,2-Dimethyl-N-phenylpropanenitrilium tetrachloridoaluminate","","- C11 H14 Al Cl4 N -","- C11 H14 Al Cl4 N -","- C44 H56 Al4 Cl16 N4 -","4","1","KJ2242","van Dijk, Tom; Zant, Dirk W.; Wolf, Robert; Lammertsma, Koop; Slootweg, J. Chris","Crystal structure of tert-butyl-N-phenylcarbonitrilium tetrachloridoaluminate","Acta Crystallographica Section E","2014","70","11","331","333","10.1107/S1600536814022028","","","0.71073","MoKα","","0.0409","0.03","","","0.0754","0.0808","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240061","11.3395","0.0003","8.0093","0.0002","9.0439","0.0002","90","","108.8","0.001","90","","777.56","0.03","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","3-(4-Bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C34 H30 Br2 O6 S2 -","2","1","RN2128","Choi, Hong Dae; Lee, Uk","Crystal structure of 3-(4-bromophenylsulfonyl)-2,5,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","325","327","10.1107/S1600536814022119","","","0.71073","MoKα","","0.0275","0.0241","","","0.0547","0.0558","","","","","","0.999","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240062","7.834","0.001","8.0455","0.0009","12.7952","0.0015","79.492","0.005","77.096","0.004","86.637","0.005","772.78","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","6,6'-Dimethyl-2H,2'H-3,4'-bichromene-2,2'-dione","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","1","IS5375","Pujar, Kiran K.; Kulkarni, Manohar V.; Anil Kumar, G. N.","Crystal structure of 6,6'-dimethyl-2H,2'H-3,4'-bichromene-2,2'-dione","Acta Crystallographica Section E","2014","70","11","319","321","10.1107/S1600536814021825","","","0.71073","MoKα","","0.0656","0.0455","","","0.1238","0.1397","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240063","22.4334","0.0016","8.3598","0.0006","30.0748","0.0016","90","","125.323","0.004","90","","4601.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ^2^N^3^,O]cobalt(II)","","- C26 H16 Br2 Co N4 O2 -","- C26 H16 Br2 Co N4 O2 -","- C208 H128 Br16 Co8 N32 O16 -","8","2","","Fan, Yan; Qu, Zhi-Rong","Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ^2^N^3^,O]cobalt(II)","Acta Crystallographica Section E","2014","70","11","m363","m364","10.1107/S1600536814021813","","","0.71073","MoKα","","0.1125","0.0464","","","0.1163","0.166","","","","","","0.966","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240064","9.373","0.0015","9.7117","0.0016","18.937","0.003","84.855","0.002","83.043","0.002","67.477","0.002","1578.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-(Quinolin-6-yl)hydroxylamine","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","4","SU2793","Rajapakse, Anuruddha; Hillebrand, Roman; Lewis, Sarah M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S.","Crystal structure of N-(quinolin-6-yl)hydroxylamine","Acta Crystallographica Section E","2014","70","11","322","324","10.1107/S160053681402193X","","","0.71073","MoKα","","0.0969","0.0742","","","0.2008","0.2238","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240065","10.0033","0.0003","12.9427","0.0003","16.2699","0.0007","90","","102.571","0.004","90","","2055.96","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-3-[2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-phenylethyl]-1H-indole","","- C26 H21 F3 N2 -","- C26 H21 F3 N2 -","- C104 H84 F12 N8 -","4","1","","Liu, Xian-Rong; Zhou, Yan-Ling","Crystal structure of 1-methyl-3-[2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-phenylethyl]-1H-indole","Acta Crystallographica Section E","2014","70","11","o1156","","10.1107/S1600536814021916","","","1.54178","CuKα","","0.0577","0.0467","","","0.1425","0.1526","","","","","","1.133","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240066","7.963","0.005","8.823","0.005","9.198","0.005","89.315","0.005","72.421","0.005","66.208","0.005","559.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^O,N,O'}zinc terephthalate","","- C20 H34 N2 O10 Zn -","- C20 H34 N2 O10 Zn -","- C20 H34 N2 O10 Zn -","1","0.5","TK5343","Li, Ya-Ping; Zang, Hu; Sun, Dajun; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^3^O,N,O'}zinc terephthalate","Acta Crystallographica Section E","2014","70","11","m361","m362","10.1107/S1600536814021771","","","0.71069","MoKα","","0.0275","0.0273","","","0.0719","0.0721","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240067","17.177","0.003","7.0429","0.0014","26.543","0.004","90","","116.942","0.009","90","","2862.6","0.9","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triaqua(1,10-phenanthroline-κ^2^N,N')(2,4,5-trifluoro-3-methoxybenzoato-κO^1^)cobalt(II) 2,4,5-trifluoro-3-methoxybenzoate","","- C28 H22 Co F6 N2 O9 -","- C28 H22 Co F6 N2 O9 -","- C112 H88 Co4 F24 N8 O36 -","4","1","WM5067","Sun, Junshan","Crystal structure of triaqua(1,10-phenanthroline-κ^2^N,N')(2,4,5-trifluoro-3-methoxybenzoato-κO^1^)cobalt(II) 2,4,5-trifluoro-3-methoxybenzoate","Acta Crystallographica Section E","2014","70","11","m367","m368","10.1107/S1600536814022077","","","0.71073","MoKα","","0.0388","0.0307","","","0.08","0.0831","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240068","7.269","0.0015","14.497","0.003","14.094","0.003","90","","95.86","0.03","90","","1477.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^N,N',O,O'}iron(III) dihydrate","","- C10 H19 Cl2 Fe N2 O4 -","- C10 H17 Cl2 Fe N2 O4 -","- C40 H68 Cl8 Fe4 N8 O16 -","4","1","WM5071","Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^N,N',O,O'}iron(III) dihydrate from synchrotron data","Acta Crystallographica Section E","2014","70","11","334","336","10.1107/S1600536814022089","","","0.62998","synchrotron","","0.0285","0.0273","","","0.0724","0.0731","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240069","6.6712","0.0013","28.87","0.006","4.992","0.001","90","","100.01","0.03","90","","946.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Acetamidobenzoic acid monohydrate","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C36 H44 N4 O16 -","4","1","","Cai, Wen-Juan; Chi, Shao-Ming; Kou, Jun-Feng; Liu, Feng-Yi","Crystal structure of 4-acetamidobenzoic acid monohydrate","Acta Crystallographica Section E","2014","70","11","o1154","","10.1107/S1600536814021886","","","0.71073","MoKα","","0.0513","0.0399","","","0.1045","0.1155","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240070","13.5081","0.001","7.4743","0.0006","13.9421","0.0011","90","","106.671","0.003","90","","1348.48","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-[(2-Acetylphenoxy)carbonyl]benzoic acid","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","HB7293","Shoaib, Mohammad; Shah, Ismail; Shah, Syed Wadood Ali; Tahir, Muhammad Nawaz; Ullah, Shafi; Ayaz, Muhammad","Crystal structure of 3-[(2-acetylphenoxy)carbonyl]benzoic acid","Acta Crystallographica Section E","2014","70","11","o1153","","10.1107/S1600536814021904","","","0.71073","MoKα","","0.0578","0.0409","","","0.1024","0.1151","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240071","12.6487","0.0004","7.0786","0.0002","23.72","0.0006","90","","90","","90","","2123.77","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-fluoro-cytosinium 3-hydroxypicolinate","4-Amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypicolinate","","- C10 H9 F N4 O4 -","- C10 H9 F N4 O4 -","- C80 H72 F8 N32 O32 -","8","1","TK5344","Kathikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate","Acta Crystallographica Section E","2014","70","11","328","330","10.1107/S1600536814021898","","","0.71073","MoKα","","0.0562","0.0424","","","0.1041","0.1113","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240072","7.188","0.0008","22.611","0.002","15.2343","0.0015","90","","103.446","0.002","90","","2408.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^O:O')bis[(1,10-phenanthroline-κ^2^N:N')(2,3,4,5-tetrafluorobenzoato-κO)copper(II)] dihydrate","","- C52 H24 Cu2 F16 N4 O10 -","- C52 H24 Cu2 F16 N4 O10 -","- C104 H48 Cu4 F32 N8 O20 -","2","0.5","WM5062","Sun, Junshan","Crystal structure of bis(μ-2,3,4,5-tetrafluorobenzoato-κ^2^O:O')bis[(1,10-phenanthroline-κ^2^N:N')(2,3,4,5-tetrafluorobenzoato-κO)copper(II)] dihydrate","Acta Crystallographica Section E","2014","70","11","m365","m366","10.1107/S1600536814022065","","","0.71073","MoKα","","0.0867","0.0441","","","0.0931","0.1163","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240073","7.8678","0.0011","20.294","0.004","11.1455","0.0018","90","","108.243","0.014","90","","1690.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate","","- C21 H16 Fe O4 -","- C21 H16 Fe O4 -","- C84 H64 Fe4 O16 -","4","1","","Yu, Juan; Gao, Lei-Lei; Huang, Peng; Wang, Dian-Lei","Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate","Acta Crystallographica Section E","2014","70","11","m369","m370","10.1107/S1600536814022120","","","0.71073","MoKα","","0.0433","0.0311","","","0.0795","0.0873","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240074","9.877","0.002","4.6915","0.001","32.603","0.006","90","","106.25","0.01","90","","1450.4","0.5","105","2","105","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DL-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","HB7289","Görbitz, Carl Henrik","Redetermined structure of β-DL-methionine at 105K: an example of the importance of freely refining the positions of the amino-group H atoms","Acta Crystallographica Section E","2014","70","11","341","343","10.1107/S1600536814022223","","","0.71073","MoKα","","0.0389","0.0377","","","0.0913","0.0918","","","","","","1.259","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240075","7.6006","0.0003","10.624","0.0005","15.1124","0.0007","106.116","0.002","99.996","0.002","98.266","0.002","1130.54","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,4-Bis(2-chlorophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one","","- C25 H29 Cl2 N O -","- C25 H29 Cl2 N O -","- C50 H58 Cl4 N2 O2 -","2","1","CV5472","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","Crystal structure of 2,4-bis(2-chlorophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2014","70","11","o1161","o1162","10.1107/S160053681402176X","","","0.71073","MoKα","","0.057","0.0419","","","0.1063","0.1188","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240076","12.4412","0.0017","8.8472","0.0013","12.738","0.002","90","","97.069","0.008","90","","1391.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","LD2131","Kotha, Sambasivarao; Gunta, Rama","Crystal structure of 1,3-diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide","Acta Crystallographica Section E","2014","70","11","o1163","o1164","10.1107/S1600536814022053","","","0.71075","MoKα","","0.0818","0.0694","","","0.1339","0.1414","","","","","","1.129","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240077","16.811","0.005","4.7281","0.0014","9.886","0.003","90","","101.95","0.007","90","","768.8","0.4","340","2","340","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DL-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","HB7288","Görbitz, Carl Henrik; Qi, Lianglin; Mai, Ngan Thi Kim; Kristiansen, Håvard","Redetermined crystal structure of α-DL-methionine at 340K","Acta Crystallographica Section E","2014","70","11","337","340","10.1107/S1600536814022211","","","0.71073","MoKα","","0.0552","0.049","","","0.1241","0.1289","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240078","11.1358","0.0007","9.4756","0.0005","20.4541","0.0011","90","","92.271","0.002","90","","2156.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","CV5470","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","Crystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one","Acta Crystallographica Section E","2014","70","11","o1160","","10.1107/S1600536814022041","","","0.71073","MoKα","","0.0819","0.0459","","","0.0984","0.1163","","","","","","0.981","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240079","7.686","0.016","28.346","0.007","6.297","0.012","90","","90","","90","","1372","4","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","(2E)-1-(4-Hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G.","Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1158","o1159","10.1107/S1600536814021953","","","0.71073","MoKα","","0.1206","0.0768","","","0.2133","0.2441","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240080","15.3749","0.0006","13.1575","0.0005","19.2929","0.0009","90","","90","","90","","3902.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-N-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Vasanthi, R.; Usha, G.","Crystal structure of 4-methyl-N-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","Acta Crystallographica Section E","2014","70","11","o1157","","10.1107/S1600536814021965","","","0.71073","MoKα","","0.1836","0.0595","","","0.1234","0.1716","","","","","","0.925","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240081","11.6682","0.0012","13.4448","0.0015","17.071","0.002","90","","93.091","0.005","90","","2674.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone","","- C37 H21 Cl O3 -","- C37 H21 Cl O3 -","- C148 H84 Cl4 O12 -","4","1","ZL2597","Sajitha, L. U.; Sithambaresan, M.; Jacob, Jomon P.; Kurup, M. R. Prathapachandra","Crystal structure of (4-chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone","Acta Crystallographica Section E","2014","70","11","355","358","10.1107/S1600536814022338","","","0.71073","MoKα","","0.0764","0.0464","","","0.1218","0.147","","","","","","1.011","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240082","8.6013","0.0009","9.0398","0.0009","11.5732","0.0012","90","","91.695","0.002","90","","899.47","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^O,N,O'}copper(II) terephthalate","","- C16 H26 Cu N2 O8 -","- C16 H26 Cu N2 O8 -","- C32 H52 Cu2 N4 O16 -","2","0.5","WM5069","Li, Ya-Ping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guan-Fang","Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^O,N,O'}copper(II) terephthalate","Acta Crystallographica Section E","2014","70","11","m372","m373","10.1107/S1600536814022272","","","0.71073","MoKα","","0.0327","0.03","","","0.0786","0.0798","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240083","7.5388","0.0008","7.8094","0.0008","10.247","0.0011","89.1333","0.0014","77.2754","0.0014","72.6502","0.0013","560.86","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","3-Phenyl-4-(2-bromopropionyl)sydnone","4-(2-Bromopropanoyl)-3-phenyl-1,2,3λ^5^-oxadiazol-3-ylium-5-olate","","- C11 H9 Br N2 O3 -","- C11 H9 Br N2 O3 -","- C22 H18 Br2 N4 O6 -","2","1","PK2531","Grossie, D.; Harrison, L.; Turnbull, K.","Crystal structure of 4-(2-bromopropionyl)-3-phenylsydnone","Acta Crystallographica Section E","2014","70","11","o1165","o1166","10.1107/S1600536814022260","","","0.71073","MoKα","","0.0273","0.0249","","","0.0673","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240084","8.5399","0.0017","10.038","0.002","13.601","0.003","97.292","0.003","94.587","0.003","110.999","0.003","1069.7","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^O^4^,N^5^,O^6^)aqua(1,10-phenanthroline-κ^2^N,N')copper(II) trihydrate","","- C20 H21 Cu N7 O7 -","- C20 H21 Cu N7 O7 -","- C40 H42 Cu2 N14 O14 -","2","1","","Baisya, Siddhartha S.; Roy, Parag S.","Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^O^4^,N^5^,O^6^)aqua(1,10-phenanthroline-κ^2^N,N')copper(II) trihydrate","Acta Crystallographica Section E","2014","70","11","348","351","10.1107/S1600536814022302","","","0.71073","MoKα","","0.0589","0.0513","","","0.1328","0.1361","","","","","","1.154","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240085","18.788","0.002","8.9334","0.001","12.7969","0.0014","90","","92.667","0.002","90","","2145.5","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-2-Hydroxy-N'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide","","- C10 H9 N3 O3 S -","- C10 H9 N3 O3 S -","- C80 H72 N24 O24 S8 -","8","1","HB7294","Zhang, Ya; Li, Peijuan; Fan, Xin; Jin, Longfei","Crystal structure of (Z)-2-hydroxy-N'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2014","70","11","o1167","","10.1107/S1600536814022351","","","0.71073","MoKα","","0.0433","0.0372","","","0.0992","0.1034","","","","","","0.99","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240086","13.2789","0.0012","14.6329","0.0014","24.278","0.002","90","","90","","90","","4717.4","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^O,N,O',O''}cadmium terephthalate","","- C20 H34 Cd N2 O10 -","- C20 H34 Cd N2 O10 -","- C160 H272 Cd8 N16 O80 -","8","1","WM5070","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^O,N,O',O''}cadmium terephthalate","Acta Crystallographica Section E","2014","70","11","m371","","10.1107/S1600536814022375","","","0.71073","MoKα","","0.0828","0.0373","","","0.0801","0.0985","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240087","8.1348","0.0003","8.6378","0.0003","10.835","0.0004","86.063","0.001","82.088","0.001","66.408","0.001","690.99","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(3-Fluorophenyl)-5-iodo-3-methylsulfinyl-1-benzofuran","","- C15 H10 F I O2 S -","- C15 H10 F I O2 S -","- C30 H20 F2 I2 O4 S2 -","2","1","QM2109","Choi, Hong Dae; Lee, Uk","Crystal structure of 2-(3-fluorophenyl)-5-iodo-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1169","","10.1107/S1600536814022569","","","0.71073","MoKα","","0.024","0.0213","","","0.0525","0.0537","","","","","","1.05","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240088","8.4826","0.0002","16.6307","0.0004","9.7493","0.0002","90","","113.756","0.001","90","","1258.81","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 F2 O2 S -","- C15 H10 F2 O2 S -","- C60 H40 F8 O8 S4 -","4","1","FY2119","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1168","","10.1107/S160053681402251X","","","0.71073","MoKα","","0.0417","0.0363","","","0.0945","0.0982","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240089","6.4316","0.0007","24.263","0.003","10.0829","0.0013","90","","105.604","0.009","90","","1515.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(R)-6'-Bromo-3,3-dimethyl-3',4'-dihydro-2'H-spiro[cyclohexane-\ 1,3'-1,2,4-benzothiadiazine] 1',1'-dioxide","","- C14 H19 Br N2 O2 S -","- C14 H19 Br N2 O2 S -","- C56 H76 Br4 N8 O8 S4 -","4","1","","Shinoj Kumar, P. P.; Suchetan, P. A.; Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Aruna Kumar, D. B.","Crystal structure of (R)-6'-bromo-3,3-dimethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,3'-1,2,4-benzothiadiazine] 1',1'-dioxide","Acta Crystallographica Section E","2014","70","11","359","361","10.1107/S1600536814022417","","","1.54178","CuKα","","0.0725","0.0494","","","0.1362","0.1537","","","","","","0.942","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240090","8.964","0.002","27.074","0.007","9.721","0.002","90","","102.054","0.019","90","","2307.2","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido(η^2^-phenyl isothiocyanate-κ^2^C,S)-mer-tris(trimethylphosphane-κP)iridium(I)","","- C16 H32 Cl Ir N P3 S -","- C16 H32 Cl Ir N P3 S -","- C64 H128 Cl4 Ir4 N4 P12 S4 -","4","1","ZL2576","Merola, Joseph S.; Grieb, Arthur W.","Crystal structure of chlorido(η^2^-phenyl isothiocyanate-κ^2^C,S)-mer-tris(trimethylphosphane-κP)iridium(I)","Acta Crystallographica Section E","2014","70","11","352","354","10.1107/S160053681402162X","","","0.71073","MoKα","","0.0405","0.0312","","","0.0787","0.0802","","","","","","0.928","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240091","10.2103","0.0003","10.7643","0.0004","11.6942","0.0004","101.074","0.001","106.726","0.001","115.058","0.001","1039.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","","- C25 H24 Br N3 -","- C25 H24 Br N3 -","- C50 H48 Br2 N6 -","2","1","HB7284","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","344","347","10.1107/S1600536814022016","","","0.71073","MoKα","","0.048","0.039","","","0.1009","0.1071","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240092","10.137","0.0004","10.2078","0.0003","11.8238","0.0004","109.688","0.002","100.309","0.002","111.42","0.002","1006.73","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","","- C25 H24 F N3 -","- C25 H24 F N3 -","- C50 H48 F2 N6 -","2","1","HB7284","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Isotypic crystal structures of 1-benzyl-4-(4-bromophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and 1-benzyl-4-(4-fluorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","344","347","10.1107/S1600536814022016","","","0.71073","MoKα","","0.0572","0.0393","","","0.0953","0.1085","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240093","7.4573","0.0005","7.8381","0.0006","11.3111","0.0009","85.525","0.006","86.634","0.006","69.545","0.007","617.22","0.08","170.1","0.2","170.1","0.2","","","","","","","","5","P -1","-P 1","2","","4,4'-(Ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate)","","- C26 H22 N2 O10 S2 -","- C26 H22 N2 O10 S2 -","- C26 H22 N2 O10 S2 -","1","0.5","HB7296","Wu, Jing; Zhu, Long-Guan","Crystal structure of 4,4'-(ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate)","Acta Crystallographica Section E","2014","70","11","o1170","","10.1107/S1600536814022673","","","0.71073","MoKα","","0.0427","0.0356","","","0.088","0.0955","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240094","7.8006","0.0003","17.9581","0.0007","10.1032","0.0004","90","","99.664","0.004","90","","1395.21","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,6-Diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","SU5002","Kotha, Sambasivarao; Seema, Vital; Deodhar, Deepak; Shaikh, Mobin","Crystal structures of 3,6-diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione and 1,7-diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione: allylated caged compounds","Acta Crystallographica Section E","2014","70","11","410","414","10.1107/S1600536814023149","","","0.71073","MoKα","","0.044","0.0352","","","0.0961","0.0987","","","","","","1.055","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240095","8.7041","0.0005","18.3992","0.0009","9.0906","0.0006","90","","113.043","0.007","90","","1339.69","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,7-Diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","SU5002","Kotha, Sambasivarao; Seema, Vital; Deodhar, Deepak; Shaikh, Mobin","Crystal structures of 3,6-diallyltetracyclo[6.3.0.0^4,11^.0^5,9^]undeca-2,7-dione and 1,7-diallylpentacyclo[5.4.0.0^2,6^. 0^3,10^.0^5,9^]undecane-8,11-dione: allylated caged compounds","Acta Crystallographica Section E","2014","70","11","410","414","10.1107/S1600536814023149","","","0.71073","MoKα","","0.0824","0.0593","","","0.1774","0.188","","","","","","1.096","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2240096","16.7338","0.0004","8.0646","0.0002","21.8195","0.0006","90","","95.296","0.001","90","","2932","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C136 H128 O24 S8 -","8","2","SU5004","Choi, Hong Dae; Lee, Uk","Crystal structure of 2,5-dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","11","o1181","o1182","10.1107/S1600536814022788","","","0.71073","MoKα","","0.0568","0.0426","","","0.1089","0.1184","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240097","12.1518","0.0013","6.8308","0.0007","19.9613","0.0019","90","","93.005","0.006","90","","1654.6","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1'-Bis[1,7-dicarba-closo-dodecaborane(11)]","","- C4 H22 B20 -","- C4 H22 B20 -","- C16 H88 B80 -","4","0.5","HB7290","Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of 1,1'-bis[1,7-dicarba-closo-dodecaborane(11)]","Acta Crystallographica Section E","2014","70","11","376","378","10.1107/S1600536814022132","","","0.71073","MoKa","","0.069","0.0447","","","0.1162","0.1299","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240098","6.7983","0.0017","8.515","0.002","11.012","0.003","108.784","0.008","98.026","0.007","98.742","0.007","584.3","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethylanilinium hydrogen maleate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C24 H30 N2 O8 -","2","1","","Mathlouthi, Maha; Janzen, Daron E.; Rzaigui, Mohamed; Smirani Sta, Wajda","Crystal structure of 2,5-dimethylanilinium hydrogen maleate","Acta Crystallographica Section E","2014","70","11","o1183","o1184","10.1107/S160053681402282X","","","0.71075","MoKα","","","0.0421","","","","0.1081","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240099","21.2425","0.0009","5.6341","0.0001","16.5372","0.0006","90","","119.141","0.005","90","","1728.69","0.13","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Isobutylammonium hydrogen oxalate hemihydrate","","- C6 H14 N O4.5 -","- C6 H14 N O4.5 -","- C48 H112 N8 O36 -","8","1","HB7298","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of isobutylammonium hydrogen oxalate hemihydrate","Acta Crystallographica Section E","2014","70","11","o1175","","10.1107/S1600536814022697","","","0.71073","MoKα","","0.0377","0.0279","","","0.0682","0.0701","","","","","","1.034","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240100","7.4797","0.0004","15.2458","0.0007","12.782","0.0006","90","","94.282","0.003","90","","1453.51","0.12","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N'-[(1E)-1-(6-Methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-ylidene)ethyl]benzenesulfonohydrazide","","- C14 H14 N2 O5 S -","- C14 H14 N2 O5 S -","- C56 H56 N8 O20 S4 -","4","1","WM5072","Asegbeloyin, Jonnie N.; Ujam, Oguejiofo T.; Ngige, Chizoba M.; Onwukeme, Valentine I.; Groutso, Tania","Crystal structure of N'-[(1E)-1-(6-methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-ylidene)ethyl]benzenesulfonohydrazide","Acta Crystallographica Section E","2014","70","11","o1179","o1180","10.1107/S1600536814022648","","","0.71073","MoKα","","0.0557","0.0429","","","0.1164","0.126","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240101","8.9363","0.0006","13.237","0.0008","16.481","0.0014","90","","90","","90","","1949.5","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","","- C4 H32 N2 Ni O16 S2 -","- C4 H32 N2 Ni O16 S2 -","- C16 H128 N8 Ni4 O64 S8 -","4","0.5","WM5074","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2014","70","11","403","405","10.1107/S160053681402234X","","","0.71073","MoKα","","0.1164","0.0402","","","0.0907","0.1232","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240102","17.7108","0.0008","5.1411","0.0002","15.9065","0.0006","90","","94.706","0.003","90","","1443.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one","","- C17 H12 N4 O S -","- C17 H12 N4 O S -","- C68 H48 N16 O4 S4 -","4","1","LH5732","Halasangi, Bhimashankar M.; Badami, Prema S.; Patil, Sangamesh A.; Anil Kumar, G. N.","Crystal structure of 3-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one","Acta Crystallographica Section E","2014","70","11","o1177","o1178","10.1107/S1600536814022715","","","0.71073","MoKα","","0.0766","0.0461","","","","0.1085","","","","","","1.085","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240103","7.4698","0.0003","9.1436","0.0003","12.6085","0.0004","107.147","0.002","99.941","0.002","105.331","0.002","763.71","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H14 Cl2 N2 O3 -","- C14 H14 Cl2 N2 O3 -","- C28 H28 Cl4 N4 O6 -","2","1","SU5005","Bharanidharan, S.; Saleem, H.; Gunasekaran, B.; Padusha, M. Syed Ali; Suresh, M.","Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2014","70","11","o1185","o1186","10.1107/S1600536814023046","","","0.71073","MoKα","","0.0783","0.0535","","","0.1321","0.1534","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240104","10.0644","0.0011","16.6082","0.0017","10.7107","0.0015","90","","98.48","0.01","90","","1770.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1H-imidazol-3-ium bromide dichloromethane disolvate","","- C31 H45 Br Cl4 N2 -","- C31 H45 Br Cl4 N2 -","- C62 H90 Br2 Cl8 N4 -","2","0.5","HB7303","Berger, Matthias; Auner, Norbert; Bolte, Michael","Crystal structure of 1,3-bis(2,6-diisopropylphenyl)-4,5-dimethyl-1H-imidazol-3-ium bromide dichloromethane disolvate","Acta Crystallographica Section E","2014","70","11","o1193","o1194","10.1107/S1600536814023150","","","0.71073","MoKα","","0.1802","0.1631","","","0.3826","0.3929","","","","","","1.116","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240105","13.7529","0.0006","10.8437","0.0005","19.5795","0.0009","90","","99.826","0.001","90","","2877.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ-N-(pyridin-2-ylmethyl)\ pyridine-3-amine-κ^2^N:N'] trifluoromethanesulfonate]","","- C12 H11 Ag F3 N3 O3 S -","- C12 H11 Ag F3 N3 O3 S -","- C96 H88 Ag8 F24 N24 O24 S8 -","8","2","","Moon, Suk-Hee; Cho, Seonghwa; Park, Ki-Min","Crystal structure of catena-poly[[silver(I)-{μ}-N-(pyridin-2-ylmethyl)pyridine-3-amine-κ^2^N:N'] trifluoromethanesulfonate]","Acta Crystallographica Section E","2014","70","11","389","391","10.1107/S1600536814022922","","","0.71073","MoKα","","0.062","0.039","","","0.0823","0.0931","","","","","","1.06","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240106","9.3307","0.0001","10.6773","0.0002","12.8129","0.0002","72.46","0.001","82.307","0.001","65.495","0.001","1107.46","0.03","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","(3-Carboxypropyl)triphenylphosphonium hexafluoridophosphate","","- C22 H22 F6 O2 P2 -","- C22 H22 F6 O2 P2 -","- C44 H44 F12 O4 P4 -","2","1","HB7304","Hillesheim, Patrick C.; Scipione, Kent A.; Stokes, Sean L.","Crystal structure of (3-carboxypropyl)triphenylphosphonium hexafluoridophosphate","Acta Crystallographica Section E","2014","70","11","o1197","o1198","10.1107/S160053681402323X","","","0.71073","MoKα","","0.0419","0.0339","","","0.0814","0.0865","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240107","15.268","0.003","7.8053","0.0016","14.729","0.003","90","","102.097","0.003","90","","1716.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(1,3-dioxoisoindolin-1-yl)urea dihydrate","","- C17 H14 N4 O7 -","- C17 H14 N4 O7 -","- C68 H56 N16 O28 -","4","0.5","","Medrano, Felipe; Lujano, Sergio; Godoy-Alcántar, Carolina; Tlahuext, Hugo","Crystal structure of 1,3-bis(1,3-dioxoisoindolin-1-yl)urea dihydrate: a urea-based anion receptor","Acta Crystallographica Section E","2014","70","11","373","375","10.1107/S1600536814022144","","","0.71073","MoKα","","0.0558","0.0522","","","0.1279","0.1304","","","","","","1.116","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240108","11.3545","0.0003","18.1097","0.0005","10.4689","0.0003","90","","100.119","0.002","90","","2119.2","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C80 H112 N16 O24 -","8","2","","Vigante, Brigita; Stepanovs, Dmitrijs; Pelss, Andrejs; Mishnev, Anatoly","Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one","Acta Crystallographica Section E","2014","70","11","379","381","10.1107/S1600536814023009","","","0.71073","MoKα","","0.1537","0.0689","","","0.1286","0.1577","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240109","5.36167","0.00008","9.01474","0.00014","9.78623","0.00017","90","","102.814","0.0016","90","","461.228","0.013","140","2","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Potassium (1R)-D-ribit-1-ylsulfonate","Potassium (1R,2R,3R,4R)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 K O8 S -","- C5 H11 K O8 S -","- C10 H22 K2 O16 S2 -","2","1","","Haines, Alan H.; Hughes, David L.","Crystal structure of potassium (1R)-D-ribit-1-ylsulfonate","Acta Crystallographica Section E","2014","70","11","406","409","10.1107/S1600536814022685","","","0.71073","Mo-Kα","","0.0215","0.0207","","","0.052","0.0525","","","","","","1.046","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240110","11.074","0.002","11.585","0.002","12.898","0.003","114.09","0.03","106.68","0.03","99.2","0.03","1372.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-[(3-Nitrophenyl)methylene]bis(1H-indole-2-carboxylate) ethanol monosolvate","","- C29 H27 N3 O7 -","- C29 H27 N3 O7 -","- C58 H54 N6 O14 -","2","1","XU5823","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Xu, Ning; Xu, Hong","Crystal structure of dimethyl 3,3'-[(3-nitrophenyl)methylene]bis(1H-indole-2-carboxylate) ethanol monosolvate","Acta Crystallographica Section E","2014","70","11","370","372","10.1107/S1600536814022296","","","0.71073","MoKα","","0.0998","0.0589","","","0.1432","0.1655","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240111","7.8278","0.0008","9.8931","0.001","11.3929","0.0013","69.307","0.003","73.561","0.003","81.375","0.003","790.39","0.15","296","","296","","","","","","","","","4","P -1","-P 1","2","","(E)-N-[(E)-3-(4-Methoxyphenyl)allylidene]naphthalen-1-amine","","- C20 H17 N O -","- C20 H17 N O -","- C40 H34 N2 O2 -","2","1","","Lee, Jae Kyun; Cha, Joo Hwan; Cho, Yong Seo; Min, Sun-Joon; Lee, Joon Kyun","Crystal structure of (E)-N-[(E)-3-(4-methoxyphenyl)allylidene]naphthalen-1-amine","Acta Crystallographica Section E","2014","70","11","o1174","","10.1107/S1600536814022521","","","0.71075","MoKα","","","0.0377","","","","0.1188","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240112","18.5564","0.0006","18.5564","0.0006","10.1139","0.0004","90","","90","","90","","3482.6","0.2","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate","","- C11 H19 N7 O7.5 P -","- C11 H19 N7 O7.5 P -","- C88 H152 N56 O60 P8 -","8","1","SU2792","Jasko, Maxim V.; Gurskaya, Galina V.; Kukhanova, Marina K.; Bushmarinov, Ivan S.","Crystal structure of ammonium 3'-azido-3'-deoxythymidine-5'-aminocarbonylphosphonate hemihydrate: an anti-HIV agent","Acta Crystallographica Section E","2014","70","11","396","399","10.1107/S1600536814022405","","","0.71073","MoKα","","0.0395","0.0324","","","0.0756","0.0793","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240113","11.969","0.002","18.725","0.003","16.894","0.003","90","","97.233","0.003","90","","3756.1","1.1","296.15","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(1H-imidazol-2-yl-κN^3^)imidazolido-κN]bis(tri-n-butylphosphane-κP)rhodium(III)","","- C30 H59 Cl2 N4 P2 Rh -","- C30 H59 Cl2 N4 P2 Rh -","- C120 H236 Cl8 N16 P8 Rh4 -","4","1","FF2131","Jin-Long; Ebihara, Masahiro","Crystal structure of dichlorido[2-(1H-imidazol-2-yl-κN^3^)imidazolato-κN]bis(tri-n-butylphosphane-κP)rhodium(III)","Acta Crystallographica Section E","2014","70","11","362","364","10.1107/S1600536814022454","","","0.71075","MoKα","","0.0431","0.0385","","","0.0962","0.1002","","","","","","1.12","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240114","7.6309","0.0013","17.102","0.003","15.395","0.002","90","","93.886","0.005","90","","2004.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[2,4-Bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Shreevidhyaa Suressh, V.; Sathya, S.; Akila, A.; Ponnuswamy, S.; Usha, G.","Crystal structure of 1-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone","Acta Crystallographica Section E","2014","70","11","o1171","o1172","10.1107/S1600536814022545","","","0.71073","MoKα","","0.1211","0.0648","","","0.2003","0.2673","","","","","","0.855","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240115","19.5521","0.0007","5.3649","0.0002","18.5142","0.0006","90","","101.816","0.002","90","","1900.9","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-({[(Morpholin-4-yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate","","- C20 H19 N O4 S2 -","- C20 H19 N O4 S2 -","- C80 H76 N4 O16 S8 -","4","1","HG5411","Ambekar, Sachin P.; Mahesh Kumar, K.; Shirahatti, Arun Kumar M.; Kotresh, O.; Anil Kumar, G. N.","Crystal structure of 3-({[(morpholin-4-yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate","Acta Crystallographica Section E","2014","70","11","400","402","10.1107/S1600536814023265","","","0.71073","MoKα","","0.0595","0.0423","","","","0.1222","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240116","26.6396","0.0013","12.9853","0.0006","23.2326","0.0011","90","","108.696","0.001","90","","7612.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate]","","- C96 H62 Mn2 N8 O17 -","- C96 H62 Mn2 N8 O17 -","- C384 H248 Mn8 N32 O68 -","4","0.5","","Li, Yaping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guanfang","Crystal structure of poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate]","Acta Crystallographica Section E","2014","70","11","m374","m375","10.1107/S160053681402279X","","","0.71073","MoKα","","0.0856","0.0606","","","0.166","0.1841","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240117","13.743","0.003","38.302","0.007","6.2686","0.0011","90","","90","","90","","3299.7","1.1","297","2","297","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(Ammoniomethyl)benzoate","","- C8 H11 N O3 -","- C8 H9 N O3 -","- C128 H144 N16 O48 -","16","1","SJ5430","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure","Acta Crystallographica Section E","2014","70","11","385","388","10.1107/S1600536814022831","","","0.71073","MoKα","","0.0541","0.0464","","","0.1291","0.1371","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240118","9.1567","0.0013","10.2951","0.0015","22.494","0.003","90","","90","","90","","2120.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wwb04","(R~S~)-N-[(1R,2S)-2-Benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C22 H31 N O2 S -","- C22 H31 N O2 S -","- C88 H124 N4 O8 S4 -","4","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (R~S~)-N-[(1R,2S)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (R~S~)-N-[(1S,2R)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0478","0.0391","","","0.092","0.096","","","","","","1.09","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240119","10.535","0.003","7.984","0.002","13.481","0.004","90","","103.519","0.005","90","","1102.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","wwb03","(R~S~)-N-[(1S,2R)-2-Benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C23 H33 N O2 S -","- C23 H33 N O2 S -","- C46 H66 N2 O4 S2 -","2","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (R~S~)-N-[(1R,2S)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (R~S~)-N-[(1S,2R)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0816","0.0554","","","0.1127","0.1255","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240120","6.0014","0.0004","13.9015","0.0016","28.867","0.003","90","","90","","90","","2408.3","0.4","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","N-[(E)-(1,3-Benzodioxol-5-yl)methylidene]-4-chloroaniline","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","1","HB7302","García-Merinos, J. Pablo; López, Yliana; González-Campos, J. Betzabe; Aviña-Verduzco, Judit A.; Río, Rosa E. del; Santillan, Rosa","Crystal structure of N-[(E)-(1,3-benzodioxol-5-yl)methylidene]-4-chloroaniline","Acta Crystallographica Section E","2014","70","11","o1195","o1196","10.1107/S1600536814022892","","","0.71073","MoKα","","0.201","0.0581","","","0.0933","0.1208","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","194623","2020-10-21","18:00:00",""
"2240121","6.111","0.0006","10.0547","0.0011","21.497","0.002","90","","90","","90","","1320.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2E)-N-Methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","SU2796","Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, R.; SubbiahPandi, A.","Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","11","415","417","10.1107/S1600536814023216","","","0.71073","MoKα","","0.0547","0.0354","","","0.0877","0.0997","","","","","","0.986","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240122","25.6913","0.0013","10.022","0.0004","14.6417","0.0006","90","","93.439","0.004","90","","3763.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-({2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole","","- C19 H17 Cl2 N3 O3 -","- C19 H17 Cl2 N3 O3 -","- C152 H136 Cl16 N24 O24 -","8","1","HG5412","Cho, Seonghwa; Kang, Gihaeng; Lee, Sangjin; Kim, Tae Ho","Crystal structure of difenoconazole","Acta Crystallographica Section E","2014","70","11","o1173","","10.1107/S1600536814022429","","","0.71073","MoKα","","0.066","0.0585","","","0.1545","0.1604","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240123","11.8983","0.0002","8.186","0.0001","18.4582","0.0003","90","","105.505","0.0007","90","","1732.39","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Benzo[b]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C76 H68 N12 O12 S4 -","4","1","HG5414","Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Comparison of crystal structures of 4-(benzo[b]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole and 4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole","Acta Crystallographica Section E","2014","70","11","392","395","10.1107/S1600536814023095","","","0.71073","MoKα","","0.0611","0.044","","","0.1129","0.124","","","","","","1.072","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240124","8.8579","0.0001","11.0761","0.0001","11.2626","0.0001","106.859","0.004","111.668","0.005","105.498","0.004","891.51","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C40 H38 N6 O6 S2 -","2","1","HG5414","Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Bommagani, Shobanbabu; Parkin, Sean; Crooks, Peter A.","Comparison of crystal structures of 4-(benzo[b]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole and 4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole","Acta Crystallographica Section E","2014","70","11","392","395","10.1107/S1600536814023095","","","0.71073","MoKα","","0.0433","0.0367","","","0.0913","0.0957","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240125","38.821","0.005","20.9","0.005","7.172","0.005","90","","90","","90","","5819","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","N,N-Diethylbenzene-1,4-diaminium dinitrate","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C160 H288 N64 O96 -","16","1","SU5003","Bouaoud, Yasmina; Smith, Graham; Merazig, Hocine; Setifi, Zouaoui","Crystal structure of N,N-diethylbenzene-1,4-diaminium dinitrate","Acta Crystallographica Section E","2014","70","11","o1191","o1192","10.1107/S1600536814022946","","","0.71073","MoKα","","0.0584","0.043","","","0.1016","0.1106","","","","","","1.034","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240126","21.341","0.003","5.3728","0.0004","19.94","0.003","90","","98.291","0.01","90","","2262.4","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2-Diphenylhydrazinium chloride","","- C12 H13 Cl N2 -","- C12 H13 Cl N2 -","- C96 H104 Cl8 N16 -","8","1","LH5735","Paul, Amit Kumal; Mukherjee, Soma; Stoeckli-Evans, Helen","Crystal structure of 2,2-diphenylhydrazinium chloride","Acta Crystallographica Section E","2014","70","11","382","384","10.1107/S1600536814022879","","","0.71073","MoKα","","0.0738","0.0565","","","0.1365","0.1413","","","","","","0.93","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240127","8.2176","0.0007","8.0468","0.0006","22.2439","0.0018","90","","98.107","0.004","90","","1456.2","0.2","94","2","94","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Tosyl-1,2,3,4-tetrahydroquinoline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","HB7292","Jeyaseelan, S.; Asha, K.V.; Venkateshappa, G.; Raghavendrakumar, P.; Palakshamurthy, B.S.","Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2014","70","11","o1176","","10.1107/S1600536814022181","","","0.71073","MoKα","","0.043","0.0387","","","0.0983","0.1009","","","","","","1.094","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240128","7.3637","0.0002","8.1589","0.0002","8.3966","0.0002","62.355","0.001","67.291","0.002","88.386","0.002","405.14","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(5-Methylimidazo[1,2-a]pyridin-2-yl)methanol","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C18 H20 N4 O2 -","2","1","SU5007","Elaatiaoui, Abdelmalik; Koudad, Mohammed; Saddik, Rafik; Benchat, Noureddine; El Ammari, Lahcen","Crystal structure of (5-methylimidazo[1,2-a]pyridin-2-yl)methanol","Acta Crystallographica Section E","2014","70","11","o1189","o1190","10.1107/S1600536814023022","","","0.71073","MoKα","","0.0474","0.0428","","","0.1178","0.1231","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240129","6.449","0.003","8.67","0.005","11.051","0.006","106.581","0.008","101.466","0.009","93.692","0.004","575.5","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N-(2-Hydroxyethyl)-5-nitroisophthalamic acid monohydrate","","- C10 H12 N2 O7 -","- C10 H12 N2 O7 -","- C20 H24 N4 O14 -","2","1","XU5826","Zou, Pei; Wang, Hong-Yong; Luo, Shi-Neng; Liu, Ya-Ling; Shen, Yong-Jia","Crystal structure of N-(2-hydroxyethyl)-5-nitroisophthalamic acid monohydrate","Acta Crystallographica Section E","2014","70","11","o1205","o1206","10.1107/S160053681402337X","","","0.71073","MoKα","","0.0608","0.042","","","0.1003","0.11","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240130","6.8096","0.0005","17.6403","0.0015","29.3604","0.0019","90","","90","","90","","3526.9","0.5","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinium 3,5-dinitrosalicylate","(1R,2S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C17 H18 N4 O7 -","- C17 H18 N4 O7 -","- C136 H144 N32 O56 -","8","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.1139","0.0723","","","0.1066","0.1224","","","","","","1.065","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240131","7.1568","0.0003","12.6416","0.0005","19.1519","0.0008","90","","93.729","0.004","90","","1729.07","0.12","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","nicotinium 5-sulfosalicylate","(1R,2S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 3-carboxy-4-hydroxybenzenesulfonate","","- C17 H20 N2 O6 S -","- C17 H20 N2 O6 S -","- C68 H80 N8 O24 S4 -","4","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.056","0.0457","","","0.1008","0.1079","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240132","12.9597","0.0004","8.8616","0.0002","28.5426","0.0007","90","","90","","90","","3277.94","0.15","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{2,2'-[Ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}oxidovanadium(IV) methanol monosolvate","","- C17 H18 N2 O4 V -","- C17 H18 N2 O4 V -","- C136 H144 N16 O32 V8 -","8","2","GG2143","Hsuan, Rachel E.; Hughes, Jemma E.; Miller, Thomas H.; Shaikh, Nabila; Cunningham, Phoebe H. M.; O'Connor, Alice E.; Tidey, Jeremiah P.; Blake, Alexander J.","Crystal structure of {2,2'-[ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^O,N,N',O'}oxidovanadium(IV) methanol monosolvate","Acta Crystallographica Section E","2014","70","11","m380","m381","10.1107/S1600536814023332","","","1.54184","CuKα","","0.0401","0.0368","","","0.1","0.105","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240133","16.367","0.0004","10.5512","0.0003","16.6153","0.0004","90","","90","","90","","2869.32","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2E)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","","Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.","Crystal structure of (2E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1202","o1203","10.1107/S1600536814023368","","","0.71073","MoKα","","0.0756","0.0575","","","0.1817","0.2145","","","","","","0.724","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240134","10.7381","0.0006","10.7477","0.0006","13.5585","0.0012","95.596","0.001","91.497","0.001","118.728","0.001","1360.85","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[{μ~2~-1,4-bis[(1H-imidazol-1-yl)methyl]benzene}[μ~6~-5-(4-carboxylatophenoxy)isophthalato]-μ~3~-hydroxido-dicobalt(II)] 0.25-hydrate]","","- C29 H22.5 Co2 N4 O8.25 -","- C29 H22 Co2 N4 O8.25 -","- C58 H44 Co4 N8 O16.5 -","2","1","","Li, Yaping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guanfang","Crystal structure of poly[[{μ~2~-1,4-bis[(1H-imidazol-1-yl)methyl]benzene}[μ~6~-5-(4-carboxylatophenoxy)isophthalato]-μ~3~-hydroxido-dicobalt(II)] 0.25-hydrate]","Acta Crystallographica Section E","2014","70","11","m376","m377","10.1107/S1600536814022806","","","0.71073","MoKα","","0.0471","0.0365","","","0.0803","0.0856","","","","","","1.038","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240135","7.3739","0.0012","8.511","0.0013","12.493","0.002","103.047","0.002","101.385","0.002","92.532","0.002","745.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-Hydroxy-4-methyl-N'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate","","- C11 H17 N3 O6 S -","- C11 H17 N3 O6 S -","- C22 H34 N6 O12 S2 -","2","1","LH5733","Li, Peijuan; Kang, Zizhen; Fan, Xin; Jin, Longfei","Crystal structure of (Z)-2-hydroxy-4-methyl-N'-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide trihydrate","Acta Crystallographica Section E","2014","70","11","o1199","","10.1107/S1600536814023356","","","0.71073","MoKα","","0.0623","0.0523","","","0.1464","0.1541","","","","","","1.098","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240136","8.807","0.0007","14.653","0.0012","22.111","0.0018","90","","92.156","0.0009","90","","2851.4","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentakis(ethylenediamine-κ^2^N,N')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)","","- C13 H50 Cl5 La N12 -","- C12 H48 Cl3 La N12 -","- C48 H192 Cl12 La4 N48 -","4","1","PK2532","Sartain, Hope T.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of pentakis(ethylenediamine-κ^2^N,N')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)","Acta Crystallographica Section E","2014","70","11","424","426","10.1107/S1600536814023289","","","0.71073","MoKα","","0.0441","0.0328","","","0.0728","0.0772","","","","","","1.071","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240137","19.93","0.002","6.25","0.0007","30.645","0.004","90","","98.715","0.007","90","","3773.1","0.8","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","S,N-Dibenzyl-D-penicillamine monohydrate","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C152 H200 N8 O24 S8 -","8","2","","Yoshinari, Nobuto; Konno, Takumi","Crystal structure of S,N-dibenzyl-D-penicillamine monohydrate","Acta Crystallographica Section E","2014","70","11","o1209","","10.1107/S1600536814023459","","","0.71075","MoKα","","0.0473","0.041","","","0.0906","0.0934","","","","","","1.063","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240138","16.9404","0.0012","10.7783","0.0007","17.2561","0.0011","90","","100.001","0.001","90","","3102.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC^4^](pentane-2,4-dionato-κ^2^O,O')iridium(III)","","- C33 H35 F2 Ir N4 O4 -","- C33 H35 F2 Ir N4 O4 -","- C132 H140 F8 Ir4 N16 O16 -","4","0.5","","Park, Ki-Min; Kang, Youngjin","Crystal structure of bis[2-tert-butoxy-6-fluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC^4^](pentane-2,4-dionato-κ^2^O,O')iridium(III)","Acta Crystallographica Section E","2014","70","11","427","429","10.1107/S1600536814022934","","","0.71073","MoKα","","0.0183","0.0171","","","0.0384","0.0388","","","","","","1.012","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240139","6.0916","0.0011","8.7713","0.0016","15.167","0.003","80.255","0.006","81.703","0.006","80.122","0.006","781.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxycarbonyl-2-(4-methoxyphenyl)-8-oxo-1-azaspiro[4.5]deca-1,6,9-trien-1-ium-1-olate","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C36 H34 N2 O10 -","2","1","","Martins, Lucimara Julio; de Simoni, Deborah; Aparicio, Ricardo; Coelho, Fernando","Crystal structure of 3-methoxycarbonyl-2-(4-methoxyphenyl)-8-oxo-1-azaspiro[4.5]deca-1,6,9-trien-1-ium-1-olate","Acta Crystallographica Section E","2014","70","11","o1200","o1201","10.1107/S1600536814023277","","","1.54178","CuKα","","0.0427","0.0422","","","0.1047","0.1053","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240140","8.757","0.0009","15.9008","0.0016","16.2987","0.0016","61.695","0.003","84.535","0.003","84.46","0.003","1985.6","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-i][5]helicene-7,9-dione","","- C26 H20 O5 -","- C26 H20 O5 -","- C104 H80 O20 -","4","2","","Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao; Sahasithiwat, Somboon","Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-i][5]helicene-7,9-dione","Acta Crystallographica Section E","2014","70","11","418","420","10.1107/S1600536814023137","","","0.71073","MoKα","","0.0913","0.0489","","","0.1162","0.1395","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240141","24.2206","0.0008","8.2838","0.0002","8.3206","0.0004","90","","90","","90","","1669.43","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-{[2-(3-Phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","","- C16 H16 Cl N3 S2 -","- C16 H16 Cl N3 S2 -","- C64 H64 Cl4 N12 S8 -","4","1","HB7295","Low, May Lee; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride","Acta Crystallographica Section E","2014","70","11","o1207","o1208","10.1107/S1600536814023228","","","1.5418","CuKα","","0.0344","0.0305","","","0.0758","0.0775","","","","","","1.037","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240142","9.4578","0.0002","12.6902","0.0003","30.513","0.0009","90","","96.334","0.001","90","","3639.86","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-1κC:2(η^2^)-Carbonyl-carbonyl-1κC-\ chlorido-2κCl-μ-chloridoborylene-1:2κ^2^B:B-\ [1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-\ 2κP)iron(II)platinum(II) benzene monosolvate","","- C36 H54 B Cl2 Fe O2 P Pt -","- C36 H54 B Cl2 Fe O2 P Pt -","- C144 H216 B4 Cl8 Fe4 O8 P4 Pt4 -","4","1","WM5073","Braunschweig, Holger; Kramer, Thomas","Crystal structure of μ-1κC:2(η^2^)-carbonyl-carbonyl-1κC-chlorido-2κCl-μ-chloridoborylene-1:2κ^2^B:B-[1(η^5^)-pentamethylcyclopentadienyl](tricyclohexylphosphane-2κP)iron(II)platinum(II) benzene monosolvate","Acta Crystallographica Section E","2014","70","11","421","423","10.1107/S1600536814023381","","","0.71073","MoKα","","0.0593","0.0362","","","0.0544","0.0585","","","","","","0.995","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240143","15.8218","0.0017","15.9933","0.0017","18.806","0.002","94.833","0.002","95.014","0.002","110.605","0.002","4403.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Decacarbonyltetra-μ~4~-oxido-hexa-μ~3~-oxido-tetrakis[μ-2,2'-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)] decatin(II)ditin(IV)dimolybdenum(O)(2 Mo—Sn) toluene heptasolvate","","- C191 H164 Mo2 N4 O28 Sn12 -","- C191 H164 Mo2 N4 O28 Sn12 -","- C191 H164 Mo2 N4 O28 Sn12 -","1","0.5","RZ5135","Kireenko, Marina M.; Zaitsev, Kirill V.; Karlov, Sergey S.; Egorov, Mikhail P.; Churakov, Andrei V.","Crystal structure of a mixed-valence μ-oxide Sn~12~ cluster","Acta Crystallographica Section E","2014","70","11","m378","m379","10.1107/S1600536814023460","","","0.71073","MoKα","","0.0428","0.0325","","","0.0757","0.0813","","","","","","1.023","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240144","12.123","0.0011","15.0901","0.0014","4.8763","0.0004","90","","90","","90","","892.06","0.14","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(E)-3-(5-Bromo-2-hydroxyphenyl)acrylaldehyde","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","GW2149","Kim, Sung-Gon","Crystal structure of (E)-3-(5-bromo-2-hydroxyphenyl)acrylaldehyde","Acta Crystallographica Section E","2014","70","11","o1219","o1220","10.1107/S1600536814023708","","","0.71073","MoKα","","0.0424","0.0279","","","0.0553","0.0859","","","","","","1.164","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240145","6.1377","0.0015","14.643","0.004","17.519","0.004","75.619","0.016","88.369","0.017","86.755","0.017","1522.6","0.7","123","2","123","2","","","","","","","","3","P -1","-P 1","2","four-layered[3.3](3,5)pyridinophane","12,30-Diazaheptacyclo[21.13.1.1^5,19^.1^6,18^.1^10,14^.1^24,36^.1^28,32^]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene","","- C40 H46 N2 -","- C40 H46 N2 -","- C80 H92 N4 -","2","1","HB7300","Shibahara, Masahiko; Watanabe, Motonori; Matsumoto, Taisuke; Goto, Kenta; Shinmyozu, Teruo","Crystal structure of a four-layered [3.3](3,5)pyridinophane","Acta Crystallographica Section E","2014","70","11","447","450","10.1107/S1600536814023691","","","1.54187","CuKα","","0.0784","0.0699","","","0.1953","0.2044","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240146","13.5706","0.0006","7.5329","0.0004","8.4303","0.0004","90","","90","","90","","861.8","0.07","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","DTCDD","1,6-Dithiacyclodeca-cis-3,cis-8-diene","","- C8 H12 S2 -","- C8 H12 S2 -","- C32 H48 S8 -","4","","HB7285","Baughman, Russell G.; Delanty, Molly C.; Ortwerth, Michael F.","Crystal structure of 1,6-dithiacyclodeca-cis-3,cis-8-diene (DTCDD)","Acta Crystallographica Section E","2014","70","11","o1218","","10.1107/S1600536814023319","","","0.71073","MoKα","","0.0487","0.0341","","","0.0848","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240147","7.8563","0.0004","14.2936","0.0006","14.8769","0.0007","90","","100.022","0.005","90","","1645.11","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Aqua(perchlorato-κO)bis(propane-1,3-diamine-κ^2^N,N')copper(II) perchlorate","","- C6 H22 Cl2 Cu N4 O9 -","- C6 H22 Cl2 Cu N4 O9 -","- C24 H88 Cl8 Cu4 N16 O36 -","4","1","SU2799","Govindaraj, J.; Rajkumar, K.; Ganeshraja, A. S.; Anbalagan, K.; SubbiahPandi, A.","Crystal structure of trans-aqua(perchlorato-κO)bis(propane-1,3-diamine-κ^2^N,N')copper(II) perchlorate","Acta Crystallographica Section E","2014","70","11","438","440","10.1107/S1600536814023496","","","0.71073","MoKα","","0.0596","0.0463","","","0.1162","0.1265","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240148","7.6233","0.0006","12.8461","0.001","9.4625","0.0007","90","","98.155","0.001","90","","917.29","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-Poly[[diaqua(4,5-diazafluoren-9-one-κ^2^N,N')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^O^1^,O^1'^:O^5^]","","- C18 H14 Cd N2 O9 S -","- C18 H14 Cd N2 O9 S -","- C36 H28 Cd2 N4 O18 S2 -","2","1","","Wang, Chun-Xiang; Li, Zhi-Feng","Crystal structure of catena-poly[[diaqua(4,5-diazafluoren-9-one-κ^2^N,N')cadmium]-μ-2-hydroxy-5-sulfonatobenzoato-κ^3^O^1^,O^1'^:O^5^]","Acta Crystallographica Section E","2014","70","11","m387","m388","10.1107/S1600536814023472","","","0.71073","MoKα","","0.0151","0.0148","","","0.0373","0.0374","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240149","19.3211","0.0013","4.8198","0.0002","16.1795","0.001","90","","122.694","0.007","90","","1267.99","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","1H,1'H-[2,2'-Biimidazol]-3-ium hydrogen tartrate hemihydrate","1H,1'H-[2,2'-Biimidazol]-3-ium 3-carboxy-2,3-dihydroxypropanoate hemihydrate","","- C10 H13 N4 O6.5 -","- C10 H13 N4 O6.5 -","- C40 H52 N16 O26 -","4","1","","Gao, Xiao-Li; Bian, Li-Fang; Guo, Shao-Wei","Crystal structure of 1H,1'H-[2,2'-biimidazol]-3-ium hydrogen tartrate hemihydrate","Acta Crystallographica Section E","2014","70","11","o1221","o1222","10.1107/S160053681402371X","","","0.71073","MoKα","","0.0461","0.0412","","","0.093","0.099","","","","","","1.106","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240150","9.0656","0.0002","10.4085","0.0003","16.5551","0.0004","86.993","0.0011","81.567","0.001","73.39","0.0011","1480.67","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","2","HB7306","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate","Acta Crystallographica Section E","2014","70","11","o1214","o1215","10.1107/S1600536814023502","","","1.54178","CuKα","","0.0563","0.0421","","","0.1028","0.1118","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240151","15.277","0.002","15.277","0.002","7.8708","0.0016","90","","90","","120","","1590.8","0.4","120","2","120","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","Tris(phenylselenolato-κSe)tris(tetrahydrofuran-κO)thulium(III)","","- C30 H39 O3 Se3 Tm -","- C30 H39 O3 Se3 Tm -","- C60 H78 O6 Se6 Tm2 -","2","0.333333","SU5009","Takaluoma, Esther M.; Oilunkaniemi, Raija; Lehmann, Christian W.; Laitinen, Risto S.","Crystal structure of tris(phenylselenolato-κSe)tris(tetrahydrofuran-κO)thulium(III)","Acta Crystallographica Section E","2014","70","11","m389","","10.1107/S1600536814023733","","","0.71073","MoKα","","0.0416","0.0381","","","0.0847","0.0865","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240152","9.1497","0.0002","12.3932","0.0003","12.7294","0.0003","87.407","0.0011","82.674","0.0012","75.019","0.0012","1382.88","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(E)-N-{[3-Methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine","","- C15 H14 N4 O -","- C15 H14 N4 O -","- C60 H56 N16 O4 -","4","2","HB7307","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine","Acta Crystallographica Section E","2014","70","11","o1216","o1217","10.1107/S1600536814023514","","","1.54178","CuKα","","0.0606","0.0423","","","0.0982","0.1077","","","","","","1.036","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240153","11.2213","0.0006","14.6239","0.0007","14.1804","0.0008","90","","104.405","0.005","90","","2253.8","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","Bis-[1-(3-chlorophenyl)piperazinium]dipicrate picric acid","1-(3-Chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","","- C38 H35 Cl2 N13 O21 -","- C38 H35 Cl2 N13 O21 -","- C76 H70 Cl4 N26 O42 -","2","1","BV2237","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structure of 1-(3-chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)","Acta Crystallographica Section E","2014","70","11","o1210","o1211","10.1107/S1600536814023654","","","0.71073","MoKα","","0.0718","0.0537","","","0.1269","0.1394","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240154","6.1101","0.0005","22.7075","0.0019","16.1587","0.0012","90","","94.626","0.007","90","","2234.6","0.3","120.01","0.19","120.01","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]","","- C24 H15 N2 Na3 O8 -","- C24 H15 N2 Na3 O8 -","- C96 H60 N8 Na12 O32 -","4","1","PJ2016","Nicholls, Rachel L.; Pask, Christopher M.; Nguyen, Bao","Crystal structure of poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]","Acta Crystallographica Section E","2014","70","11","m385","m386","10.1107/S1600536814023423","","","1.54184","CuKα","","0.0891","0.0498","","","0.1088","0.1303","","","","","","0.985","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240155","22.6657","0.00013","22.6657","0.00013","14.24938","0.00011","90","","90","","90","","7320.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 42/n","-P 4bc","86","","5,6-[(1R,10S)-2,9-Dioxatricyclo[8.6.0^3,8^.0^11,16^]hexadecane-1,10-diyl]-(C~60~‒I~h~)[5,6]fullerene methanedithione 0.1-solvate","","- C74.1 H10 O2 S0.21 -","- C74.1033 H10 O2 S0.206 -","- C592.826 H80 O16 S1.648 -","8","","ZP2014","Bortel, Gábor; Kováts, Éva; Oszlányi, Gábor; Pekker, Sándor","Crystal structure of the 4~+~2 cycloadduct of photooxidized anthracene and C~60~ fullerene","Acta Crystallographica Section E","2014","70","11","444","446","10.1107/S1600536814019643","","","1.54184","CuKα","","0.05","0.0454","","","0.1157","0.1199","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2240156","8.528","0.0002","8.752","0.0002","13.3309","0.0003","97.905","0.001","97.684","0.001","99.88","0.001","958.21","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κC^1^}(piperidine-κN)platinum(II) ethanol monosolvate","","- C18 H30 Cl N O3 Pt -","- C18 H30 Cl N O3 Pt -","- C36 H60 Cl2 N2 O6 Pt2 -","2","1","RZ5134","Mangwala Kimpende, Peter; Thi Da, Tran; Nguyen Huu, Dinh; Van Meervelt, Luc","Crystal structure of chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κC^1^}(piperidine-κN)platinum(II) ethanol monosolvate","Acta Crystallographica Section E","2014","70","11","435","437","10.1107/S1600536814023575","","","1.54178","CuKα","","0.0285","0.0274","","","0.0679","0.0685","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240157","11.997","0.003","12.885","0.003","18.217","0.004","90","","96.856","0.004","90","","2795.9","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II)","","- C22 H40 Cl2 N4 S2 Zn -","- C22 H40 Cl2 N4 S2 Zn -","- C88 H160 Cl8 N16 S8 Zn4 -","4","1","HP2069","Flörke, Ulrich; Ahmida, Aziza; Egold, Hans; Henkel, Gerald","Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II)","Acta Crystallographica Section E","2014","70","11","m384","","10.1107/S1600536814023642","","","0.71073","MoKα","","0.0801","0.0559","","","0.1115","0.1231","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240158","7.2418","0.0009","11.5459","0.0014","14.5301","0.0017","69.014","0.002","76.086","0.002","84.124","0.002","1100.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-7-propoxy-2H-chromen-2-one","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","2","","Estrada-Soto, Samuel; Sánchez-Recillas, Amanda; Navarrete-Vázquez, Gabriel; Tlahuext, Hugo","Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one","Acta Crystallographica Section E","2014","70","11","451","453","10.1107/S1600536814023678","","","0.71073","MoKα","","0.0534","0.0472","","","0.1158","0.1222","","","","","","1.124","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240159","13.0297","0.0006","8.5901","0.0003","19.7449","0.0008","90","","98.337","0.001","90","","2186.62","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Benzyl-4-(2,4-dichlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","","- C25 H23 Cl2 N3 -","- C25 H23 Cl2 N3 -","- C100 H92 Cl8 N12 -","4","1","HB7305","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 1-benzyl-4-(2,4-dichlorophenyl)-2-imino-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","11","441","443","10.1107/S1600536814023071","","","0.71073","MoKα","","0.0708","0.0514","","","0.1334","0.1508","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240160","7.9412","0.0002","15.7078","0.0003","22.3276","0.0004","90","","98.573","0.001","90","","2754","0.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5-(4,5-Dihydro-1H-imidazol-2-yl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-amine","","- C15 H15 N7 -","- C15 H15 N7 -","- C120 H120 N56 -","8","1","HG5415","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 5-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-amine","Acta Crystallographica Section E","2014","70","11","o1212","o1213","10.1107/S160053681402354X","","","1.54178","CuKα","","0.0414","0.0352","","","0.0893","0.0938","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240161","10.95","0.005","8.25","0.005","16.216","0.005","90","","93.911","0.005","90","","1461.5","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,2':6',2''-terpyridine-κ^3^N,N',N'')zinc","","- C15 H11 Cl2 N3 Zn -","- C15 H11 Cl2 N3 Zn -","- C60 H44 Cl8 N12 Zn4 -","4","1","","Kong, Cheng-Cheng; Zhou, Jia-Zheng; Yu, Jian-Hua; Li, Sheng-Li","Crystal structure of dichlorido(2,2':6',2''-terpyridine-κ^3^N,N',N'')zinc: a redetermination","Acta Crystallographica Section E","2014","70","11","m382","m383","10.1107/S1600536814023605","","","0.71069","MoKα","","0.0215","0.0196","","","0.055","0.056","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240162","18.977","0.003","3.7811","0.0004","15.5047","0.0018","90","","90","","90","","1112.5","0.2","200","","200","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Bromo-1,4-dihydroxy-9,10-anthraquinone","","- C14 H7 Br O4 -","- C14 H7 Br O4 -","- C56 H28 Br4 O16 -","4","1","HB7282","Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi","Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone","Acta Crystallographica Section E","2014","70","10","o1130","","10.1107/S1600536814020996","","","0.71073","MoKα","","0.0659","0.0574","","","0.095","0.0985","","","","","","1.11","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240163","13.6653","0.0017","14.6674","0.0018","19.663","0.002","90","","104.807","0.002","90","","3810.3","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2,4-di-tert-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^N,O}zinc dichloromethane monosolvate","","- C37 H58 Cl2 N2 O2 Zn -","- C37 H58 Cl2 N2 O2 Zn -","- C148 H232 Cl8 N8 O8 Zn4 -","4","1","","Hao, Yuan-Zeng","Crystal structure of bis{2,4-di-tert-butyl-6-[(isopropylimino)methyl]phenolato-κ^2^N,O}zinc dichloromethane monosolvate","Acta Crystallographica Section E","2014","70","12","m390","m391","10.1107/S1600536814022636","","","0.71073","MoKα","","0.0524","0.0356","","","0.0898","0.101","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240164","15.3098","0.0011","14.3677","0.0012","8.6546","0.0003","90","","97.429","0.004","90","","1887.7","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3-[(Benzo[d][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","GG2142","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; De Simone, Carlos A.","Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2014","70","12","o1235","o1236","10.1107/S160053681402340X","","","0.71073","MoKα","","0.0659","0.0489","","","0.1328","0.15","","","","","","1.025","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240165","9.05738","0.00008","11.87633","0.00009","21.13465","0.00015","90","","90","","90","","2273.42","0.03","291","2","291.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hydrocortisone 17-butyrate","(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl butanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C100 H144 O24 -","4","1","RZ5136","Zhu, Yu; Shen, Wei; Wang, Hai-li","Crystal structure of hydrocortisone 17-butyrate","Acta Crystallographica Section E","2014","70","12","o1239","o1240","10.1107/S1600536814023903","","","1.54184","CuKα","","0.0407","0.0399","","","0.1099","0.1109","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240166","8.7938","0.0002","9.1775","0.0003","10.7298","0.0003","86.571","0.001","69.157","0.001","81.093","0.002","799.51","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C18 H17 Cl O2 S -","- C18 H17 Cl O2 S -","- C36 H34 Cl2 O4 S2 -","2","1","NK2227","Choi, Hong Dae; Lee, Uk","Crystal structure of 5-chloro-2,4,6-trimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2014","70","12","o1233","o1234","10.1107/S160053681402385X","","","0.71073","MoKα","","0.0487","0.0431","","","0.1189","0.1237","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240167","8.1565","0.0003","14.2567","0.0005","14.6664","0.0005","90","","98.21","0.001","90","","1688","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-Methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","LD2132","Zaytsev, Vladimir P.; Orlova, Daria N.; Gurbanov, Atash V.; Zubkov, Fedor I.; Khrustalev, Victor N.","Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate","Acta Crystallographica Section E","2014","70","12","o1225","o1226","10.1107/S1600536814023344","","","0.71073","MoKα","","0.0526","0.0426","","","0.1112","0.1188","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240168","8.48","0.0017","16.227","0.003","17.263","0.004","90","","98.78","0.03","90","","2347.6","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodithioate chloroform monosolvate","","- C19 H29 Cl3 N2 S2 -","- C19 H29 Cl3 N2 S2 -","- C76 H116 Cl12 N8 S8 -","4","1","","Mallah, Eyad; Sweidan, Kamal; Abu Dayyih, Wael; Steimann, Manfred; Sunjuk, Mahmoud","Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodithioate chloroform monosolvate","Acta Crystallographica Section E","2014","70","12","o1227","o1228","10.1107/S1600536814023800","","","0.71073","MoKα","","0.0979","0.0525","","","0.1317","0.1527","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240169","11.189","0.003","6.9489","0.0017","19.979","0.005","90","","98.056","0.01","90","","1538.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{[1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C60 H60 N12 O24 -","4","1","RZ5138","Shahid, Hafiz Abdullah; Jahangir, Sajid; Shah, Syed Adnan Ali; Zaki, Hamizah Mohd; Naz, Humera","Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yloxy]carbonyl}benzoic acid","Acta Crystallographica Section E","2014","70","12","o1237","o1238","10.1107/S1600536814023927","","","0.71073","MoKα","","0.0529","0.0466","","","0.1119","0.1193","","","","","","1.069","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240170","13.2571","0.0005","6.4753","0.0003","19.6761","0.0007","90","","114.924","0.002","90","","1531.76","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole","","- C18 H19 Br N2 O -","- C18 H19 Br N2 O -","- C72 H76 Br4 N8 O4 -","4","1","RZ5137","Alzoman, Nourah Z.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Crystal structure of 2-(adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2014","70","12","o1231","o1232","10.1107/S1600536814023861","","","0.71073","MoKα","","0.0398","0.0306","","","0.0649","0.0685","","","","","","1.058","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240171","7.0011","0.0005","9.7667","0.0006","12.4071","0.0008","90","","90.375","0.003","90","","848.35","0.1","100","2","100","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 -","- C4 H22 B20 -","- C8 H44 B40 -","2","0.5","PK2536","Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.","Definitive crystal structure of 1,1'-bis[1,2-dicarba-closo-dodecaborane(11)]","Acta Crystallographica Section E","2014","70","12","462","465","10.1107/S1600536814023897","","","0.71073","MoKα","","0.0452","0.0363","","","0.0998","0.106","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240172","4.2987","0.0004","7.0243","0.001","27.587","0.004","90","","90","","90","","833","0.19","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxyisoindoline-1,3-dione","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","SU2795","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","0.71073","MoKα","","0.1098","0.0989","","","0.2209","0.2287","","","","","","1.126","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240173","7.0363","0.0004","11.0082","0.0005","12.4239","0.0006","98.884","0.004","96.159","0.004","93.009","0.004","942.95","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","1,3-Dioxoisoindolin-2-yl methyl carbonate","","- C10 H7 N O5 -","- C10 H7 N O5 -","- C40 H28 N4 O20 -","4","2","","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","1.54184","CuKα","","0.036","0.0332","","","0.0867","0.0887","","","","","","1.064","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240174","16.512","0.003","18.579","0.003","7.6156","0.0013","90","","99.434","0.017","90","","2304.7","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate","","- C14 H9 N O5 -","- C14 H9 N O5 -","- C112 H72 N8 O40 -","8","2","","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","0.71073","MoKα","","0.1713","0.0796","","","0.1718","0.2241","","","","","","1","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240175","6.706","0.0003","12.1364","0.001","40.6017","0.0016","90","","93.969","0.004","90","","3296.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","allylammonium oxalate","Bis(allylammonium) oxalate","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C96 H192 N24 O48 -","12","3","SU5011","Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of bis(allylammonium) oxalate","Acta Crystallographica Section E","2014","70","12","o1229","o1230","10.1107/S1600536814023617","","","0.71073","MoKα","","0.0866","0.0531","","","0.1233","0.1317","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240176","8.4938","0.0003","18.9062","0.0007","19.9303","0.0007","88.215","0.003","78.816","0.003","83.072","0.003","3116.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","(2-{3-[4-(4'-Cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κN}-5-(dodecyloxy)phenyl-κC^1^)(9-oxotetracos-7-en-7-olato-κ^2^O,O')platinum(II)","","- C64 H92 N2 O5 Pt -","- C64 H92 N2 O5 Pt -","- C128 H184 N4 O10 Pt2 -","2","1","VN2086","Luo, Kaijun; Liu, Hanlin; Guo, Qing; Luo, Daibing","Crystal structure of (2-{3-[4-(4'-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κN}-5-(dodecyloxy)phenyl-κC^1^)(9-oxotetracos-7-en-7-olato-κ^2^O,O')platinum(II)","Acta Crystallographica Section E","2014","70","12","m392","m393","10.1107/S1600536814021928","","","0.7107","MoKα","","0.0975","0.0611","","","0.1308","0.1521","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240177","17.783","0.005","9.6993","0.0019","12.796","0.003","90","","107.868","0.01","90","","2100.6","0.9","110","","110","","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-N-benzyl-1-phenylethanaminium (R)-4-chloromandelate","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Peng, Yangfeng; Rohani, Sohrab; Boyle, Paul D.; He, Quan","Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloromandelate","Acta Crystallographica Section E","2014","70","12","o1223","o1224","10.1107/S1600536814023204","","","0.71073","MoKα","","0.0427","0.0359","","","0.0879","0.0915","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240178","9.4479","0.0019","11.022","0.002","13.259","0.003","74.64","0.03","69.7","0.03","77.28","0.03","1236.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)","","- C44 H40 I6 O4 P2 Te -","- C44 H40 I6 O4 P2 Te -","- C44 H40 I6 O4 P2 Te -","1","0.5","ZL2606","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Crystal structure of bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV)","Acta Crystallographica Section E","2014","70","12","o1241","","10.1107/S1600536814023940","","","0.71073","MoKα","","0.041","0.0318","","","0.0731","0.0775","","","","","","1.049","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240179","16.0224","0.0015","7.853","0.0008","12.6766","0.0012","90","","119.739","0.007","90","","1384.9","0.3","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tin(IV) chloride octahydrate","","- Cl4 H16 O8 Sn -","- Cl4 H16 O8 Sn -","- Cl16 H64 O32 Sn4 -","4","0.5","BR2243","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structure of tin(IV) chloride octahydrate","Acta Crystallographica Section E","2014","70","12","480","482","10.1107/S1600536814024271","","","0.71073","MoKα","","0.0228","0.0214","","","0.0487","0.0494","","","","","","1.106","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240180","5.7955","0.0001","15.4472","0.0004","21.9289","0.0005","90","","93.831","0.001","90","","1958.78","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-{[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole","","- C21 H17 N7 O4 -","- C21 H17 N7 O4 -","- C84 H68 N28 O16 -","4","1","IS5380","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein M. S.; Albayati, Mustafa R.","Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole","Acta Crystallographica Section E","2014","70","12","o1246","o1247","10.1107/S1600536814024039","","","1.54178","CuKα","","0.0378","0.0333","","","0.0859","0.0893","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240181","7.0988","0.0002","12.3864","0.0003","33.2745","0.0009","90","","90","","90","","2925.78","0.13","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulinic acid methanol monosolvate","3β-Hydroxylup-20(29)-en-28-oic acid methanol monosolvate","","- C31 H52 O4 -","- C31 H52 O4 -","- C124 H208 O16 -","4","1","ZS2317","Tang, Wei; Chen, Neng-Hua; Li, Guo-Qiang; Wang, Guo-Cai; Li, Yao-Lan","Crystal structure of betulinic acid methanol monosolvate","Acta Crystallographica Section E","2014","70","12","o1242","o1243","10.1107/S1600536814023848","","","1.54184","CUKα","","0.0518","0.0436","","","0.1033","0.1117","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240182","10.4989","0.0003","11.2755","0.0003","11.9769","0.0003","90","","109.926","0.001","90","","1332.95","0.06","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-methyl-1H-imidazolium hexafluoridophosphate","","- C11 H13 F6 N2 P -","- C11 H13 F6 N2 P -","- C44 H52 F24 N8 P4 -","4","1","ZL2605","Hillesheim, Patrick C.; Scipione, Kent A.","Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexafluoridophosphate","Acta Crystallographica Section E","2014","70","12","o1248","o1249","10.1107/S1600536814024301","","","0.71073","MoKα","","0.0368","0.0311","","","0.0798","0.0827","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240183","12.975","0.005","25.115","0.009","6.452","0.009","90","","90","","90","","2102","3","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","Bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","","- C6 H36 Al2 F10 N4 O6 -","- C6 H36 Al2 F10 N4 O6 -","- C24 H144 Al8 F40 N16 O24 -","4","0.25","CV5471","Abdi, Insaf; Al-Sadhan, Khulood; Ben Ali, Amor","Crystal structure of bis(propane-1,3-diaminium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate","Acta Crystallographica Section E","2014","70","12","471","473","10.1107/S1600536814024155","","","0.71073","MoKα","","0.0883","0.0471","","","0.1145","0.1479","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240184","9.783","0.002","11.962","0.003","14.858","0.003","90","","97.385","0.007","90","","1724.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-(4-bromobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","","- C32 H22 Br2 N6 Ni S4 -","- C32 H22 Br2 N6 Ni S4 -","- C64 H44 Br4 N12 Ni2 S8 -","2","0.5","","Zeng, Dong; Yang, Shui-Bin; Tian, Zheng-Fang","Crystal structure of bis[1-(4-bromobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickelate(II)","Acta Crystallographica Section E","2014","70","12","m395","m396","10.1107/S1600536814024222","","","0.71073","MoKα","","0.0703","0.042","","","0.0949","0.1018","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240185","7.0701","0.001","7.0701","0.001","9.7631","0.0015","90","","90","","120","","422.64","0.11","180","","180","","","","","","","","","4","P 63","P 6c","173","tin II perchlorate trihydrate","Tin(II) perchlorate trihydrate","","- Cl2 H6 O11 Sn -","- Cl2 H6 O11 Sn -","- Cl4 H12 O22 Sn2 -","2","0.333333","HB7297","Hennings, Erik; Schmidt, Horst; Köhler, Martin; Voigt, Wolfgang","Crystal structure of tin(II) perchlorate trihydrate","Acta Crystallographica Section E","2014","70","12","474","476","10.1107/S1600536814024283","","","0.71073","MoKα","","0.0381","0.0364","","","0.0915","0.0932","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240186","9.6949","0.0002","12.4192","0.0002","9.8763","0.0002","90","","94.948","0.001","90","","1184.7","0.04","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide","","- C10 H6 N4 O5 S -","- C10 H6 N4 O5 S -","- C40 H24 N16 O20 S4 -","4","1","LH5737","Moreno-Fuquen, Rodolfo; Sánchez, Diego F.; Ellena, Javier","Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide","Acta Crystallographica Section E","2014","70","12","o1252","","10.1107/S1600536814024374","","","0.71073","MoKα","","0.0624","0.0459","","","0.1213","0.1357","","","","","","0.971","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240187","9.7816","0.0002","16.9347","0.0004","17.5319","0.0004","90","","101.096","0.001","90","","2849.84","0.11","100.1","0.1","100.1","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimeric bis(1-tert-butyl acetoacetato)zinc(II)","Hexakis(μ~2~-4-tert-butoxy-4-oxobut-2-en-2-olato)-1:2κ^6^O^2^,O^4^:O^2^;2:3κ^6^O^2^:O^2^,O^4^;1:3κ^3^O^2^,O^4^:O^2^;3:1κ^3^O^2^,O^4^:O^2^-trizinc,","","- C48 H78 O18 Zn3 -","- C48 H78 O18 Zn3 -","- C96 H156 O36 Zn6 -","2","0.5","","Shtokvish, Olgerd O.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.","Crystal structure of hexakis(μ~2~-4-tert-butoxy-4-oxobut-2-en-2-olato)trizinc","Acta Crystallographica Section E","2014","70","12","483","485","10.1107/S1600536814024337","","","0.71073","MoKα","","0.0576","0.0351","","","0.059","0.0649","","","","","","1.008","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240188","12.9207","0.0012","19.2867","0.0017","22.977","0.002","90","","98.6792","0.0018","90","","5660.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","{3-[3,5-Bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-p-cymene)ruthenium(II) benzene disolvate","","- C69 H69 Cl N2 Ru -","- C69 H69 Cl N2 Ru -","- C276 H276 Cl4 N8 Ru4 -","4","1","IS5379","Sase, Shohei; Ikehara, Yuriko; Goto, Kei","Crystal structure of {3-[3,5-bis(2,6-dimethylphenyl)-1,2-phenylene]-1-(2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl-5'-yl)imidazol-2-ylidene}chlorido(η^6^-p-cymene)ruthenium(II) benzene disolvate","Acta Crystallographica Section E","2014","70","12","m394","","10.1107/S160053681402399X","","","0.71075","MoKα","","0.0382","0.0318","","","0.0874","0.092","","","","","","1.086","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240189","16.193","0.0015","16.193","0.0015","11.2421","0.0011","90","","90","","120","","2552.9","0.4","100","","100","","","","","","","","Synthetic","4","R -3 c :H","-R 3 2""c","167","ferric perchlorate nonahydrate","Iron(III) perchlorate nonahydrate","","- Cl3 Fe H18 O21 -","- Cl3 Fe H18 O21 -","- Cl18 Fe6 H108 O126 -","6","0.166667","PK2533","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structure of iron(III) perchlorate nonahydrate","Acta Crystallographica Section E","2014","70","12","477","479","10.1107/S1600536814024295","","","0.71073","MoKα","","0.0423","0.0414","","","0.091","0.0916","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","282068","2023-03-26","10:12:40",""
"2240190","10.8907","0.0003","10.8907","0.0003","21.4542","0.0007","90","","90","","120","","2203.71","0.11","293","2","293","2","","","","","","","","6","P 61","P 61","169","","(E)-N'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C84 H78 Cl6 N12 O12 S6 -","6","1","","Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.","Crystal structure of (E)-N'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph","Acta Crystallographica Section E","2014","70","12","o1250","o1251","10.1107/S1600536814023721","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0718","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240191","10.95564","0.00013","10.95564","0.00013","5.56326","0.00011","90","","90","","90","","667.736","0.017","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Digadolinium trirhenium pentasilicide","","- Gd2 Re3 Si5 -","- Gd2 Re3 Si5 -","- Gd8 Re12 Si20 -","4","0.25","FJ2683","Fedyna, Vitaliia; Kozak, Roksolana; Gladyshevskii, Roman","Crystal structure of the ternary silicide Gd~2~Re~3~Si~5~","Acta Crystallographica Section E","2014","70","12","469","470","10.1107/S1600536814024234","","","0.71073","MoKα","","0.0267","0.0253","","","0.0621","0.0628","","","","","","1.168","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240192","8.0688","0.0004","9.9086","0.0005","14.4041","0.0008","75.297","0.003","80.604","0.002","74.306","0.003","1066.83","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2-(2,4-Dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","","- C25 H15 Cl2 N O4 S -","- C25 H15 Cl2 N O4 S -","- C50 H30 Cl4 N2 O8 S2 -","2","1","CV5474","Umadevi, M.; Ramalingam, B. M.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of 2-(2,4-dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2014","70","12","466","468","10.1107/S1600536814024064","","","0.71073","MoKα","","0.1113","0.048","","","0.0998","0.1263","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240193","35.968","0.005","4.6483","0.0006","26.596","0.003","90","","129.613","0.0012","90","","3425.5","0.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-{12-Methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene}propandinitrile","","- C22 H12 N6 -","- C22 H12 N6 -","- C176 H96 N48 -","8","1","SU5012","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Kashef, Hussein M. S.; Albayati, Mustafa R.","Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]propandinitrile","Acta Crystallographica Section E","2014","70","12","o1244","o1245","10.1107/S1600536814024167","","","0.71073","MoKα","","0.0941","0.0534","","","0.1145","0.1364","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240194","20.034","0.004","13.057","0.003","24.979","0.005","90","","90","","90","","6534","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1H-imidazole)-κ^2^N^3^:N^3'^]dicopper(II)] tetranitrate tetrahydrate]","","- C50 H78 Cu2 N24 O16 -","- C50 H78 Cu2 N22 O10 -","- C200 H312 Cu8 N88 O40 -","4","0.5","","Wu, Fayuan; Shang, Mengxiang; Li, Shihua; Zhao, Yu","Crystal structure of a Cu^II^ complex with a bridging ligand: poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1H-imidazole)-κ^2^N^3^:N^3'^]dicopper(II)] tetranitrate tetrahydrate]","Acta Crystallographica Section E","2014","70","12","503","506","10.1107/S1600536814024477","","","0.71073","MoKα","","0.1151","0.0601","","","0.1446","0.1724","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240195","25.2516","0.0019","8.4656","0.0005","12.4732","0.001","90","","117.446","0.003","90","","2366.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Carboxypropanamido)‒2-hydroxybenzoic acid monohydrate","","- C11 H13 N O7 -","- C11 H13 N O7 -","- C88 H104 N8 O56 -","8","1","HB7310","Tahir, Muhammad Nawaz; Ahmed, Muhammad Naeem; Butt, Arshad Farooq; Shad, Hazoor Ahmad","Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate","Acta Crystallographica Section E","2014","70","12","o1254","o1255","10.1107/S1600536814024581","","","0.71073","MoKα","","0.0762","0.0466","","","0.1065","0.1218","","","","","","1.022","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240196","6.772","0.002","6.929","0.002","8.949","0.003","104.916","0.005","108.069","0.004","104.306","0.004","360.5","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[μ~6~-adipato-diaquadi-μ~2~-oxalato-didysprosium(III)]","","- C10 H12 Dy2 O14 -","- C10 H12 Dy2 O14 -","- C10 H12 Dy2 O14 -","1","0.5","","Li, Zhi-Feng; Zhang, Yi-Chao; Hu, Xiao-Qin; Wang, Chun-Xiang","Crystal structure of poly[μ~6~-adipato-diaquadi-μ~2~-oxalato-didysprosium(III)]","Acta Crystallographica Section E","2014","70","12","m399","m400","10.1107/S1600536814024544","","","0.71073","MoKα","","0.0224","0.0213","","","0.0562","0.0567","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240197","13.797","0.003","9.656","0.0019","14.174","0.003","90","","117.8","0.03","90","","1670.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1H-pyrazole-κN^2^)palladium(II) dichloride","","- C12 H16 Cl2 N8 Pd -","- C12 H16 Cl2 N8 Pd -","- C48 H64 Cl8 N32 Pd4 -","4","0.5","","Wagner, Thomas; Christiansen, Nena; Hrib, Cristian G.; Kaufmann, Dieter E.; Edelmann, Frank T.","Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN^2^)palladium(II) dichloride","Acta Crystallographica Section E","2014","70","12","486","488","10.1107/S160053681402460X","","","0.71073","MoKα","","0.044","0.039","","","0.0917","0.0943","","","","","","1.123","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240198","7.906","0.004","11.306","0.005","13.504","0.007","90","","90","","90","","1207.1","1","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-5,5-Dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","","Laskar, Payel; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Crystal structure of (2S,4S)-5,5-dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","Acta Crystallographica Section E","2014","70","12","o1264","","10.1107/S1600536814024854","","","0.71075","MoKα","","0.029","0.0281","","","0.0737","0.0742","","","","","","1.102","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240199","11.7046","0.0006","16.7871","0.0008","10.4922","0.0005","90","","91.95","0.001","90","","2060.38","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[silver(I)-μ-N-(pyridin-4-ylmethyl)pyridine-3-amine-κ^2^N:N'] nitrate dimethyl sulfoxide disolvate]","","- C15 H23 Ag N4 O5 S2 -","- C15 H23 Ag N4 O5 S2 -","- C60 H92 Ag4 N16 O20 S8 -","4","1","","Moon, Bokhee; Jeon, Youngeun; Moon, Suk-Hee; Park, Ki-Min","Crystal structure of a one-dimensional helical-type silver(I) coordination polymer: catena-poly[[silver(I)-μ-N-(pyridin-4-ylmethyl)pyridine-3-amine-κ^2^N:N'] nitrate dimethyl sulfoxide disolvate]","Acta Crystallographica Section E","2014","70","12","507","509","10.1107/S1600536814024817","","","0.71073","MoKα","","0.0352","0.0276","","","0.0708","0.0776","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240200","14.4457","0.0007","14.7091","0.0006","16.5663","0.0008","90","","101.858","0.0017","90","","3444.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate","","- C56 H76 Cl2 Mn4 N12 Na2 O24 -","- C56 H76 Cl2 Mn4 N12 Na2 O24 -","- C112 H152 Cl4 Mn8 N24 Na4 O48 -","2","0.5","PK2534","Daly, Connor I.; Zeller, Matthias; Zaleski, Curtis M.","Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate","Acta Crystallographica Section E","2014","70","12","494","498","10.1107/S1600536814024441","","","0.71073","MoKα","","0.0654","0.0462","","","0.0941","0.1015","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240201","5.4886","0.0011","7.8518","0.0015","11.574","0.002","99.663","0.016","90.366","0.016","90.244","0.016","491.69","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","calcium perchlorate tetrahydrate","Calcium perchlorate tetrahydrate","","- Ca Cl2 H8 O12 -","- Ca Cl2 H8 O12 -","- Ca2 Cl4 H16 O24 -","2","1","WM5079","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2014","70","12","489","493","10.1107/S1600536814024532","","","0.71073","MoKα","","0.0323","0.0312","","","0.0881","0.0889","","","","","","1.199","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240202","10.9603","0.0004","7.9667","0.0007","26.7735","0.0018","90","","90","","90","","2337.8","0.3","180","","180","","","","","","","","","4","P c a 21","P 2c -2ac","29","calcium perchlorate hexahydrate","Calcium perchlorate hexahydrate","","- Ca Cl2 H12 O14 -","- Ca Cl2 H12 O14 -","- Ca8 Cl16 H96 O112 -","8","2","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2014","70","12","489","493","10.1107/S1600536814024532","","","0.71073","MoKα","","0.0471","0.042","","","0.1073","0.1127","","","","","","1.085","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240203","9.4738","0.0014","13.662","0.002","14.119","0.002","90","","98.314","0.003","90","","1808.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1,3,4,5-tetramethyl-1H-imidazole-2(3H)-thione-κS]chloridocopper(I)","","- C14 H24 Cl Cu N4 S2 -","- C14 H24 Cl Cu N4 S2 -","- C56 H96 Cl4 Cu4 N16 S8 -","4","1","ZQ2228","Flörke, Ulrich; Ahmida, Aziza; Egold, Hans; Henkel, Gerald","Crystal structure of bis[1,3,4,5-tetramethyl-1H-imidazole-2(3H)-thione-κS]chloridocopper(I)","Acta Crystallographica Section E","2014","70","12","m397","m398","10.1107/S1600536814024404","","","0.71073","MoKα","","0.0888","0.0472","","","0.0816","0.0912","","","","","","0.849","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240204","8.9787","0.0006","13.487","0.0012","14.7875","0.001","90","","95.448","0.005","90","","1782.6","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium perchlorate trihydrate","Di-μ-aqua-aquadi-μ-perchlorato-strontium","","- Cl2 H6 O11 Sr -","- Cl2 H6 O11 Sr -","- Cl16 H48 O88 Sr8 -","8","2","WM5080","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.043","0.0243","","","0.0448","0.0459","","","","","","1.091","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240205","7.1571","0.0006","7.3942","0.0006","10.0231","0.0009","86.674","0.007","86.291","0.007","72.027","0.006","503.09","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","strontium perchlorate tetrahydrate","Di-μ-aqua-bis(triaquadiperchloratostrontium)","","- Cl2 H8 O12 Sr -","- Cl2 H8 O12 Sr -","- Cl4 H16 O24 Sr2 -","2","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.0287","0.0275","","","0.0753","0.076","","","","","","1.096","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240206","18.7808","0.0015","6.86","0.003","11.1884","0.0016","90","","90","","90","","1441.5","0.7","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","strontium perchlorate nonahydrate","Heptaaquadiperchloratostrontium dihydrate","","- Cl2 H18 O17 Sr -","- Cl2 H18 O17 Sr -","- Cl8 H72 O68 Sr4 -","4","0.25","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of Sr(ClO~4~)~2~·3H~2~O, Sr(ClO~4~)~2~·4H~2~O and Sr(ClO~4~)~2~·9H~2~O","Acta Crystallographica Section E","2014","70","12","510","514","10.1107/S1600536814024726","","","0.71073","MoKα","","0.0504","0.0478","","","0.1323","0.1337","","","","","","1.156","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240207","5.498","0.001","30.432","0.0017","6.7086","0.0019","90","","113.54","0.04","90","","1029","0.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Benzyloxypyrimidin-5-yl)boronic acid","","- C11 H11 B N2 O3 -","- C11 H11 B N2 O3 -","- C44 H44 B4 N8 O12 -","4","1","ZL2604","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz","Crystal structure of (2-benzyloxypyrimidin-5-yl)boronic acid","Acta Crystallographica Section E","2014","70","12","o1259","o1260","10.1107/S1600536814024519","","","0.71073","MoKα","","0.084","0.0533","","","0.12","0.1354","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240208","6.7708","0.0011","10.5761","0.0017","11.9643","0.0017","88.239","0.009","81.123","0.009","79.14","0.009","831.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-{1-[(1-Allyl-1H-indazol-6-yl)amino]ethylidene}-6-methyl-2H-pyran-2,4(3H)-dione","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C36 H34 N6 O6 -","2","1","HB7311","El Ghozlani, Mohamed; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-yl)amino]ethylidene}-6-methyl-2H-pyran-2,4(3H)-dione","Acta Crystallographica Section E","2014","70","12","o1256","","10.1107/S1600536814024520","","","0.71073","MoKα","","0.0613","0.0438","","","0.1186","0.1313","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240209","7.0043","0.0005","7.527","0.0005","9.5396","0.0006","106.757","0.004","96.592","0.004","105.204","0.004","454.75","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Methylbenzylidene)malononitrile","","- C11 H8 N2 -","- C11 H8 N2 -","- C22 H16 N4 -","2","1","SU5017","Amiri, Ouafa; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 2-(4-methylbenzylidene)malononitrile","Acta Crystallographica Section E","2014","70","12","o1263","","10.1107/S1600536814024660","","","0.71073","MoKα","","0.0591","0.0456","","","0.1204","0.1324","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240210","6.1605","0.0004","11.849","0.0008","15.3861","0.0011","90","","90","","90","","1123.12","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5S)-4-Methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","HB7309","Silveira, Gustavo Pozza; da Silva, Vinicius Flores; Oliver, Allen G.","Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2014","70","12","o1257","o1258","10.1107/S1600536814024702","","","0.71073","Mo-Kα","","0.0311","0.0274","","","0.0685","0.0704","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240211","7.2909","0.0005","9.7971","0.0005","15.0912","0.001","90","","103.375","0.005","90","","1048.72","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Zinc chloride dihemihydrate","Pentaaqua-μ-chlorido-trichloridodizinc","","- Cl2 H5 O2.5 Zn -","- Cl4 H10 O5 Zn2 -","- Cl16 H40 O20 Zn8 -","4","1","WM5081","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0279","0.0181","","","0.0342","0.0353","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240212","6.4339","0.0005","6.5202","0.0005","14.2769","0.0011","90.91","0.006","99.146","0.006","95.574","0.006","588.21","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","Zinc chloride trihydrate","Dexaaquazinc tetrachloridozinc","","- Cl4 H12 O6 Zn2 -","- Cl4 H12 O6 Zn2 -","- Cl8 H24 O12 Zn4 -","2","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0292","0.0285","","","0.0879","0.0887","","","","","","1.02","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240213","6.9795","0.0003","12.5421","0.0006","18.1849","0.0011","90","","90","","90","","1591.86","0.14","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Zinc chloride 4.5-hydrate","Hexaaquazinc tetrachloridozinc trihydrate","","- Cl2 H9 O4.5 Zn -","- Cl4 H18 O9 Zn2 -","- Cl16 H72 O36 Zn8 -","4","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0229","0.0211","","","0.052","0.0525","","","","","","0.991","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240214","5.0279","0.0004","8.9678","0.0007","15.9913","0.0013","80.571","0.002","83.874","0.002","88.371","0.002","707.19","0.1","294","","294","","","","","","","","","4","P -1","-P 1","2","","(E)-4-{2-[4-(Allyloxy)phenyl]diazenyl}benzoic acid","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","SU2790","Rahman, Md. Lutfor; Mohd. Yusoff, Mashitah; Ismail, Jamil; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid","Acta Crystallographica Section E","2014","70","12","499","502","10.1107/S1600536814023745","","","0.71073","MoKα","","0.0604","0.0426","","","0.1193","0.1377","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240215","23.4258","0.001","5.6473","0.0001","9.2464","0.0003","90","","93.008","0.001","90","","1221.54","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromo-N-(2-hydroxyphenyl)benzamide","4-Bromo-N-(2-hydroxyphenyl)benzamide","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","SU5019","Moreno-Fuquen, Rodolfo; Melo, Vanessa; Ellena, Javier","Crystal structure of 4-bromo-N-(2-hydroxyphenyl)benzamide","Acta Crystallographica Section E","2014","70","12","o1261","o1262","10.1107/S1600536814024696","","","0.71073","MoKα","","0.0827","0.0519","","","0.1433","0.168","","","","","","0.987","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240216","8.8374","0.0003","12.6707","0.0004","14.7497","0.0004","83.401","0.002","88.788","0.003","81.078","0.003","1620.81","0.09","180","0.1","180","","","","","","","","","5","P -1","-P 1","2","","Bis(2,2':6',2''-terpyridine-κ^3^N,N',N'')nickel(II) dicyanidoaurate(I)","","- C34 H22 Au2 N10 Ni -","- C34 H22 Au2 N10 Ni -","- C68 H44 Au4 N20 Ni2 -","2","1","","White, Frankie; Sykora, Richard E.","Crystal structure of bis(2,2':6',2''-terpyridine-κ^3^N,N',N'')nickel(II) dicyanidoaurate(I)","Acta Crystallographica Section E","2014","70","12","519","521","10.1107/S1600536814024672","","","0.7107","MoKα","","0.0308","0.0267","","","0.0672","0.0701","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240217","20.0917","0.0008","5.9503","0.0002","21.0198","0.0009","90","","115.902","0.003","90","","2260.51","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(3-tert-butylpyridine-κN)(4-tert-butylpyridine-κN)cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C20 H26 Cd N4 S2 -","- C20 H26 Cd N4 S2 -","- C80 H104 Cd4 N16 S8 -","4","1","PK2535","Werner, Julia; Reinert, Thorben; Jess, Inke; Näther, Christian","Crystal structure of catena-poly[[(3-tert-butylpyridine-κN)(4-tert-butylpyridine-κN)cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","Acta Crystallographica Section E","2014","70","12","m403","m404","10.1107/S1600536814024647","","","0.71073","MoKα","","0.0691","0.0457","","","0.0779","0.084","","","","","","1.14","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240218","9.1491","0.0007","10.3099","0.0008","11.9347","0.001","90","","111.587","0.002","90","","1046.8","0.14","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Z)-3-{3-(4-Chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one","","- C24 H14 Cl2 N2 O2 S -","- C24 H14 Cl2 N2 O2 S -","- C48 H28 Cl4 N4 O4 S2 -","2","1","ZS2320","Kayalvizhi, M.; Vasuki, G.; Kumar, R. Raj; Rao, V. Rajeswar","Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one","Acta Crystallographica Section E","2014","70","12","o1268","o1269","10.1107/S1600536814024775","","","0.71073","MoKα","","0.0629","0.0341","","","0.0646","0.0754","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240219","16.2578","0.0004","6.4799","0.0001","19.2475","0.0004","90","","112.453","0.001","90","","1873.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fenpropathrin","Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","HG5417","Kang, Gihaeng; Jeon, Youngeun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of fenpropathrin","Acta Crystallographica Section E","2014","70","12","o1265","","10.1107/S160053681402474X","","","0.71073","MoKα","","0.0463","0.0394","","","0.0996","0.1046","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240220","17.824","0.002","7.1453","0.0006","6.7243","0.0007","90","","90.321","0.009","90","","856.38","0.15","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ammonium phenoxyacetate","Ammonium phenoxyacetate","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0886","0.0633","","","0.1467","0.1626","","","","","","1.095","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240221","18.386","0.002","7.1223","0.0006","6.7609","0.0006","90","","93.399","0.008","90","","883.79","0.14","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 4-fluorophenoxyacetate","Ammonium (4-fluorophenoxy)acetate","","- C8 H10 F N O3 -","- C8 H10 F N O3 -","- C32 H40 F4 N4 O12 -","4","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0786","0.0533","","","0.1054","0.1162","","","","","","1.101","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240222","38.0396","0.0009","4.456","0.0008","12.944","0.005","90","","104.575","0.005","90","","2123.5","0.9","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate","Ammonium (4-chloro-2-methylphenoxy)acetate hemihydrate","","- C9 H13 Cl N O3.5 -","- C9 H13 Cl N O3.5 -","- C72 H104 Cl8 N8 O28 -","8","1","SU5018","Smith, Graham","Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phenoxyacetic acid, (4-fluorophenoxy)acetic acid and (4-chloro-2-methylphenoxy)acetic acid","Acta Crystallographica Section E","2014","70","12","528","532","10.1107/S160053681402488X","","","0.71073","MoKα","","0.0453","0.0356","","","0.0861","0.0911","","","","","","1.032","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240223","7.342","0.007","8.807","0.004","14.861","0.005","75.49","0.03","76.88","0.05","70.51","0.05","866.1","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","(3,5-Dichloro-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone","","- C21 H12 Cl2 N2 O3 -","- C21 H12 Cl2 N2 O3 -","- C42 H24 Cl4 N4 O6 -","2","1","","Ishikawa, Yoshinobu; Motohashi, Yuya","Crystal structure of (3,5-dichloro-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone","Acta Crystallographica Section E","2014","70","12","522","524","10.1107/S1600536814024684","","","0.71069","MoKα","","","0.059","","","","0.1631","","","","","","1.006","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240224","14.1161","0.0009","18.0874","0.0012","23.1986","0.0016","90","","90","","90","","5923.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis[2-(diphenylphosphinothioyl)phenyl] ether","{2-[2-(Diphenylphosphinothioyl)phenoxy]phenyl}diphenylphosphanethione","","- C36 H28 O P2 S2 -","- C36 H28 O P2 S2 -","- C288 H224 O8 P16 S16 -","8","1","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.065","0.0453","","","0.094","0.1012","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240225","14.0964","0.0015","13.0854","0.0013","17.5918","0.0018","90","","109.226","0.008","90","","3064","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis{2-[Diphenyl(selanylidene)phosphanyl]phenyl} ether","(2-{2-[Diphenyl(selanylidene)phosphanyl]phenoxy}phenyl)diphenyl-λ^5^-phosphaneselone","","- C36 H28 O P2 Se2 -","- C36 H28 O P2 Se2 -","- C144 H112 O4 P8 Se8 -","4","0.5","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.0424","0.0321","","","0.0624","0.0659","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240226","4.6205","0.0002","21.9423","0.001","21.1737","0.001","90","","93.263","0.002","90","","2143.2","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Propaquizafop","2-(Propan-2-ylideneaminooxy)ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate","","- C22 H22 Cl N3 O5 -","- C22 H22 Cl N3 O5 -","- C88 H88 Cl4 N12 O20 -","4","2","HG5418","Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Crystal structure of propaquizafop","Acta Crystallographica Section E","2014","70","12","o1266","o1267","10.1107/S1600536814024751","","","0.71073","MoKα","","0.0883","0.0537","","","0.0925","0.1031","","","","","","0.992","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240227","7.6158","0.0005","16.2007","0.0014","10.6784","0.0007","90","","90.129","0.008","90","","1317.51","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]","","- C12 H8 Mn N4 S2 -","- C12 H8 Mn N4 S2 -","- C48 H32 Mn4 N16 S8 -","4","0.5","WM5088","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato]","Acta Crystallographica Section E","2014","70","12","m401","m402","10.1107/S1600536814024490","","","0.71073","MoKα","","0.0322","0.0256","","","0.0636","0.0654","","","","","","1.101","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240228","8.8509","0.0002","9.6364","0.0003","12.909","0.0004","72.779","0.002","81.033","0.001","76.457","0.001","1017.97","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylamino-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","- C25 H25 N3 O -","- C25 H25 N3 O -","- C50 H50 N6 O2 -","2","1","SU5014","Nagalakshmi, R. A.; Suresh, J.; Maharani, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure of 2-benzylamino-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","12","525","527","10.1107/S1600536814024878","","","0.71073","MoKα","","0.0433","0.0348","","","0.0897","0.0956","","","","","","1.053","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240229","22.1602","0.0006","12.973","0.0003","24.7883","0.0006","90","","103.933","0.0012","90","","6916.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(N-diphenylphosphanyl-N,N'-diisopropyl-P-phenylphosphonous diamide-κ^2^P,P')cobalt(I) tetracarbonylcobaltate(-I) toluene 0.25-solvate","","- C32.75 H32 Co2 N2 O7 P2 -","- C32.75 H32 Co2 N2 O7 P2 -","- C262 H256 Co16 N16 O56 P16 -","8","2","RZ5139","Dura, Laura; Spannenberg, Anke; Beweries, Torsten","Crystal structure of tricarbonyl(N-diphenylphosphanyl-N,N'-diisopropyl-P-phenylphosphonous diamide-κ^2^P,P')cobalt(I) tetracarbonylcobaltate({-}I) toluene 0.25-solvate","Acta Crystallographica Section E","2014","70","12","533","535","10.1107/S1600536814024908","","","1.54178","CuKα","","0.0431","0.0381","","","0.0964","0.0997","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240230","8.6099","0.0002","9.3435","0.0002","14.5279","0.0004","91.016","0.001","104.049","0.001","116.004","0.001","1008.6","0.04","115","","115","","","","","","","","","7","P -1","-P 1","2","","Di-μ-iodido-bis[(dimethyl sulfoxide-κO)(triphenylphosphane-κP)copper(I)]","","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","1","0.5","","Kinghat, Rodolphe; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of di-μ-iodido-bis[(dimethyl sulfoxide-κO)(triphenylphosphane-κP)copper(I)]","Acta Crystallographica Section E","2014","70","12","547","549","10.1107/S1600536814025203","","","0.71073","MoKα","","0.0558","0.0347","","","0.0705","0.0773","","","","","","0.989","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240231","10.253","0.0014","10.253","0.0014","8.425","0.0017","90","","90","","120","","767","0.2","123","1","123","1","","","","","","","","5","P -3","-P 3","147","","Iodidotris(tetrahydrofuran-κO)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C24 H48 I2 Li2 O6 -","2","0.333333","WM5091","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0399","0.0287","","","0.0651","0.0672","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240232","18.288","0.003","18.288","0.003","18.511","0.004","90","","90","","90","","6191","2","123","1","123","1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","Iodidotris(tetrahydrofuran-κO)lithium","","- C12 H24 I Li O3 -","- C12 H24 I Li O3 -","- C192 H384 I16 Li16 O48 -","16","1","","Gärtner, Stefanie; Gärtner, Tobias; Gschwind, Ruth-Maria; Korber, Nikolaus","About the polymorphism of [Li(C~4~H~8~O)~3~]I: crystal structures of trigonal and tetragonal polymorphs","Acta Crystallographica Section E","2014","70","12","555","558","10.1107/S160053681402529X","","","0.71073","MoKα","","0.0397","0.0269","","","0.0559","0.058","","","","","","0.953","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240233","9.5636","0.0019","10.63","0.002","23.708","0.006","90","","112.82","0.03","90","","2221.5","1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-Bis[(E)-4-bromostyryl]-2-(butylsulfanyl)pyrimidine","","- C24 H22 Br2 N2 S -","- C24 H22 Br2 N2 S -","- C96 H88 Br8 N8 S4 -","4","1","","Yu, Wang; Song, Jingbao; Wang, Aijian","Crystal structure of 4,6-bis[(E)-4-bromostyryl]-2-(butylsulfanyl)pyrimidine","Acta Crystallographica Section E","2014","70","12","o1282","","10.1107/S1600536814024714","","","0.71073","MoKα","","0.035","0.0296","","","0.0638","0.066","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240234","10.6","0.01","10.6","0.01","7.03","0.01","90","","90","","90","","789.9","1.5","200","2","200","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Tetrakis(pyridin-2-yl)methane","Tetrakis(pyridin-2-yl)methane","","- C21 H16 N4 -","- C21 H16 N4 -","- C42 H32 N8 -","2","0.25","PK2537","Matsumoto, Kouzou; Kannami, Masaki; Fuyuhiro, Akira; Oda, Masaji","Crystal structure of a second polymorph of tetrakis(pyridin-2-yl)methane","Acta Crystallographica Section E","2014","70","12","o1277","o1278","10.1107/S1600536814025057","","","0.71075","MoKα","","0.037","0.036","","","0.089","0.09","","","","","","1.07","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240235","9.579","0.0007","9.619","0.0009","18.55","0.0012","90","","101.527","0.005","90","","1674.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^N,N')iron(II) sulfate","","- C12 H20 Fe N2 O8 S -","- C12 H20 Fe N2 O8 S -","- C48 H80 Fe4 N8 O32 S4 -","4","1","VN2087","Belamri, Yamine; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Zouaoui, Setifi","Crystal structure of tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^N,N')iron(II) sulfate","Acta Crystallographica Section E","2014","70","12","544","546","10.1107/S1600536814024982","","","0.71073","MoKα","","0.0958","0.0654","","","0.183","0.1957","","","","","","1.08","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240236","10.5944","0.0014","26.529","0.004","10.4286","0.0014","90","","99.675","0.002","90","","2889.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14156a","(1S,2R,6R,7R,8S,12S)-4,10,17-Triphenyl-15-thia-4,10-diazapentacyclo[5.5.5.0^1,16^.0^2,6^.0^8,12^]heptadeca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate","","- C36 H27 N2 O4 S -","- C36 H27 N2 O4 S -","- C144 H108 N8 O16 S4 -","4","1","SU5020","Noland, Wayland E.; Kroll, Neil J.; Huisenga, Matthew P.; Yue, Ruixian A.; Lang, Simon B.; Klein, Nathan D.; Tritch, Kenneth J.","Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diazapentacyclo[5.5.5.0^1,16^.0^2,6^.0^8,12^]heptadeca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate","Acta Crystallographica Section E","2014","70","12","550","554","10.1107/S1600536814025094","","","0.71073","MoKα","","0.0454","0.0399","","","0.1049","0.1091","","","","","","0.995","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240237","7.9309","0.0014","15.335","0.003","6.7158","0.0012","90","","90","","90","","816.8","0.3","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","1-Methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","0.5","TK5348","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine","Acta Crystallographica Section E","2014","70","12","o1281","","10.1107/S1600536814025239","","","0.71073","MoKα","","0.0517","0.0423","","","0.1173","0.1287","","","","","","1.088","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240238","11.1447","0.0014","29.694","0.004","11.8597","0.0014","90","","103.941","0.004","90","","3809.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[tris(acetato-κ^2^O,O')(μ~3~-acetato-κ^3^O,O':O)tetrakis(μ~2~-acetato-κ^4^O,O':O:O')bis(benzene-1,2-diamine-κN)tetralead(II)]","","- C14 H20 N2 O8 Pb2 -","- C14 H20 N2 O8 Pb2 -","- C112 H160 N16 O64 Pb16 -","8","2","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0741","0.0419","","","0.0799","0.0926","","","","","","0.959","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2240239","7.3623","0.001","7.6177","0.001","13.1413","0.0017","89.762","0.004","76.405","0.004","66.691","0.004","654.63","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Poly[acetato-κ^2^O,O')(μ~3~-acetato-κ^4^O,O':O:O')(4-chlorobenzene-1,2-diamine-κN)lead(II)]","","- C10 H13 Cl N2 O4 Pb -","- C10 H13 Cl N2 O4 Pb -","- C20 H26 Cl2 N4 O8 Pb2 -","2","1","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0442","0.0375","","","0.0939","0.0995","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240240","7.3724","0.0008","7.6349","0.0008","13.4069","0.0015","88.839","0.003","78.33","0.003","66.035","0.003","673.71","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Poly[(acetato-κ^2^O,O')(μ~3~-acetato-κ^4^O,O':O:O')(3,4-diaminobenzonitrile-κN)lead(II)]","","- C11 H13 N3 O4 Pb -","- C11 H13 N3 O4 Pb -","- C22 H26 N6 O8 Pb2 -","2","1","ZL2608","Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.","Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers","Acta Crystallographica Section E","2014","70","12","566","572","10.1107/S1600536814025380","","","0.71073","MoKa","","0.0477","0.0413","","","0.1236","0.1451","","","","","","1.137","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240241","6.867","0.005","10.121","0.004","16.497","0.006","90","","90","","90","","1146.6","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium 4-nitrophenolate","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C44 H64 N8 O12 -","4","1","SU5022","Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of piperidinium 4-nitrophenolate","Acta Crystallographica Section E","2014","70","12","559","561","10.1107/S1600536814025306","","","0.71073","MoKα","","0.0396","0.0347","","","0.0877","0.0912","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240242","5.6184","0.0004","11.0946","0.0007","19.4673","0.0013","90","","95.982","0.001","90","","1206.87","0.14","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-Butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole","","- C32 H32 N2 -","- C32 H32 N2 -","- C64 H64 N4 -","2","0.5","ZQ2229","Stalindurai, K.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S.","Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole","Acta Crystallographica Section E","2014","70","12","o1283","o1284","10.1107/S1600536814025367","","","0.71073","MoKα","","0.0778","0.0608","","","0.1489","0.1593","","","","","","1.121","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240243","9.6402","0.0005","13.6386","0.0006","14.0503","0.0007","90","","104.56","0.001","90","","1787.99","0.15","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2,3,3-Tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane","","- C40 H42 Ge4 -","- C40 H42 Ge4 -","- C80 H84 Ge8 -","2","0.5","WM5086","Zaitsev, Kirill V.; Karlov, Sergey S.; Zaitseva, Galina S.; Alizade, Ali; Slovokhotov, Yuri L.","Crystal structure of 2,2,3,3-tetramethyl-1,1,1,4,4,4-hexaphenyltetragermane","Acta Crystallographica Section E","2014","70","12","o1273","o1274","10.1107/S160053681402501X","","","0.71073","MoKα","","0.044","0.0301","","","0.061","0.0663","","","","","","1.045","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240244","10.1635","0.0005","11.044","0.0006","13.5439","0.0007","113.549","0.002","98.381","0.002","99.451","0.003","1336.64","0.12","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","3-[({2-[Bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde","","- C32 H34 N2 O5 -","- C32 H34 N2 O5 -","- C64 H68 N4 O10 -","2","1","","Fonseca, Alexandra S.; Bortoluzzi, Adailton J.","Crystal structure of 3-[({2-[bis(2-hydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino)methyl]-2-hydroxy-5-methylbenzaldehyde","Acta Crystallographica Section E","2014","70","12","562","565","10.1107/S1600536814024465","","","0.71073","MoKα","","0.0985","0.0573","","","0.1439","0.1655","","","","","","1.017","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240245","30.381","0.005","6.1","0.004","21.357","0.005","90","","131.876","0.005","90","","2947","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Phenylethylaminium 4-nitrophenol monohydrate","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","HB7318","Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Kumar, R. Mohan; Chakkaravarthi, G.","Crystal structure of 2-phenylethylaminium 4-nitrophenolate monohydrate","Acta Crystallographica Section E","2014","70","12","o1280","","10.1107/S1600536814025318","","","0.71073","MoKα","","0.058","0.0428","","","0.1117","0.1236","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240246","29.191","0.006","7.3291","0.0017","12.587","0.003","90","","113.074","0.013","90","","2477.5","1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate","","- C12 H15 O5.5 -","- C12 H15 O5.5 -","- C96 H120 O44 -","8","1","GK2620","Krishnaswamy, G.; Suchetan, P. A.; Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Aruna Kumar, D. B.","Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate","Acta Crystallographica Section E","2014","70","12","541","543","10.1107/S1600536814024349","","","1.54178","CuKα","","0.2464","0.0671","","","0.1723","0.2241","","","","","","1.06","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240247","6.959","0.0006","4.0517","0.0003","13.5858","0.0012","90","","91.754","0.008","90","","382.88","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Methoxyquinazoline","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C18 H16 N4 O2 -","2","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Crystal structure of 4-methoxyquinazoline","Acta Crystallographica Section E","2014","70","12","o1279","","10.1107/S1600536814025082","","","1.54184","CuKα","","0.0584","0.0538","","","0.1534","0.1585","","","","","","1.075","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240248","15.9691","0.0004","8.342","0.0002","19.1245","0.0005","90","","101.253","0.002","90","","2498.68","0.11","124","2","124","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(2R,3S,4R,5R)-5-(1,3-Dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","","- C20 H42 O3 S2 Si -","- C20 H42 O3 S2 Si -","- C80 H168 O12 S8 Si4 -","4","2","","Cruz-Montanez, Alejandra; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(2R,3S,4R,5R)-5-(1,3-dithian-2-yl)-3-methyl-1-(triisopropylsilyloxy)hexane-2,4-diol","Acta Crystallographica Section E","2014","70","12","o1285","o1286","10.1107/S160053681402443X","","","1.54178","CuKα","","0.041","0.0355","","","0.0839","0.0876","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240249","8.1929","0.0013","8.4811","0.0014","12.761","0.002","84.485","0.004","80.007","0.005","78.077","0.004","852.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2H-1,3-Benzodioxol-5-yl)-7,9-dibromo-8-oxo-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","- C18 H12 Br2 O6 -","- C18 H12 Br2 O6 -","- C36 H24 Br4 O12 -","2","1","","Martins, Lucimara Julio; de Simoni, Deborah; Aparicio, Ricardo; Coelho, Fernando","Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-dibromo-8-oxo-1-oxaspiro[4.5]deca-2,6,9-triene-3-carboxylate","Acta Crystallographica Section E","2014","70","12","o1275","o1276","10.1107/S1600536814024763","","","0.71073","MoKα","","0.023","0.0181","","","0.0455","0.0472","","","","","","1.024","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240250","9.9647","0.001","12.2131","0.0011","15.7158","0.0015","90","","108.483","0.001","90","","1814","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[(Dichloromethane)sulfonyl]pyridine","","- C6 H5 Cl2 N O2 S -","- C6 H5 Cl2 N O2 S -","- C48 H40 Cl16 N8 O16 S8 -","8","2","HB7316","Chen, Zhiqiu; Bolat, Hembat; Wan, Xing; Li, Ya","Crystal structure of 2-[(dichloromethane)sulfonyl]pyridine","Acta Crystallographica Section E","2014","70","12","o1272","","10.1107/S1600536814025148","","","0.71073","MoKα","","0.0463","0.0369","","","0.094","0.1016","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240251","12.89","0.005","8.343","0.005","19.908","0.005","90","","129.616","0.015","90","","1649.2","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","XU5827","Ghichi, Nadir; Benboudiaf, Ali; Merazig, Hocine","Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2014","70","12","o1292","","10.1107/S1600536814024568","","","0.71073","MoKα","","0.065","0.0399","","","0.0919","0.105","","","","","","1.014","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240252","12.9099","0.0002","14.805","0.0002","14.7933","0.0003","90","","90.821","0.001","90","","2827.17","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Octa-μ~3~-hydroxido-μ~6~-oxido-hexakis[tetraaquayttrium(III)] octaiodide octahydrate","","- H72 I8 O41 Y6 -","- I8 O41 Y6 -","- I16 O82 Y12 -","2","0.5","WM5083","Le Natur, François; Calvez, Guillaume; Guillou, Olivier; Daiguebonne, Carole; Bernot, Kevin","Crystal structure of [Y~6~(μ~6~-O)(μ~3~-OH)~8~(H~2~O)~24~]I~8~·8H~2~O","Acta Crystallographica Section E","2014","70","12","577","579","10.1107/S1600536814025434","","","0.71073","MoKα","","0.0764","0.0671","","","0.1717","0.1778","","","","","","1.114","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240253","9.8197","0.0003","10.6503","0.0003","11.6744","0.0003","74.245","0.001","80.428","0.001","66.493","0.001","1075.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(Diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate","","- C26 H21 O3 P -","- C26 H21 O3 P -","- C52 H42 O6 P2 -","2","1","CV5473","Mamat, Constantin; Flemming, Anke; Köckerling, Martin","Crystal structure of 2-(diphenylphosphanyl)phenyl 4-(hydroxymethyl)benzoate","Acta Crystallographica Section E","2014","70","12","o1288","o1289","10.1107/S1600536814024623","","","0.71073","MoKα","","0.0818","0.051","","","0.1498","0.1761","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240254","5.7173","0.001","7.7671","0.0012","21.955","0.004","90","","95.136","0.004","90","","971","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate","","- C18 H19 Cl N6 O4 -","- C18 H19 Cl N6 O4 -","- C36 H38 Cl2 N12 O8 -","2","1","RK2425","Qin, Yong-Qi; Xue, Jin-hui; Qiao, Yuan-Biao; Zhang, Zi-Feng","Crystal structure of bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate","Acta Crystallographica Section E","2014","70","12","o1290","o1291","10.1107/S1600536814024829","","","0.71073","MoKα","","0.0887","0.0533","","","0.1203","0.1373","","","","","","1.048","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240255","10.5646","0.0006","18.798","0.0011","26.9782","0.0016","90","","90","","90","","5357.7","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-1-(4-methylbenzyl)pyridinium bromide","","- C13 H15 Br N2 -","- C13 H15 Br N2 -","- C208 H240 Br16 N32 -","16","2","","Sharmila, N.; Sundar, T. V.; Yasodha, A.; Puratchikody, A.; Sridhar, B.","Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2014","70","12","o1293","o1294","10.1107/S1600536814025343","","","0.71073","MoKα","","0.0794","0.0386","","","0.0925","0.1096","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240256","15.9542","0.0003","8.5087","0.0002","16.7212","0.0004","90","","99.07","0.002","90","","2241.51","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-1-(Ferrocenylethynyl)-10-(phenylimino)anthracen-9(10H)-one","","- C32 H21 Fe N O -","- C32 H21 Fe N O -","- C128 H84 Fe4 N4 O4 -","4","1","CV5475","Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Sakamoto, Ryota; Nishihara, Hiroshi","Crystal structure of (Z)-1-(ferrocenylethynyl)-10-(phenylimino)anthracen-9(10H)-one from synchrotron X-ray powder diffraction","Acta Crystallographica Section E","2014","70","12","573","576","10.1107/S1600536814025252","powder diffraction","","0.802","synchrotron","","0.04","","","","","","","","2.56","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2240257","8.1338","0.0012","8.1961","0.0009","10.7933","0.0011","74.013","0.009","83.308","0.01","64.734","0.013","625.54","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-[(1H-pyrazol-1-yl)methyl]benzoate","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","","Wang, Ju-Xian; Feng, Chao","Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)methyl]benzoate","Acta Crystallographica Section E","2014","70","12","o1287","","10.1107/S1600536814025100","","","0.71073","MoKα","","0.0843","0.0665","","","0.1895","0.2011","","","","","","1.145","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240258","5.4455","0.0001","9.1901","0.0002","17.8837","0.0004","90","","94.506","0.001","90","","892.22","0.03","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Piperidin-1-yl)butane-1,3-dione","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C36 H60 N4 O8 -","4","1","","Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 1-(piperidin-1-yl)butane-1,3-dione","Acta Crystallographica Section E","2014","70","12","o1297","","10.1107/S1600536814025768","","","0.71073","MoKα","","0.0477","0.0401","","","0.1023","0.1073","","","","","","1.136","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240259","11.4319","0.0009","9.3598","0.0004","12.4297","0.0009","90","","105.016","0.003","90","","1284.57","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyimino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H13 N5 O2 -","- C14 H13 N5 O2 -","- C56 H52 N20 O8 -","4","1","SU5024","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2014","70","12","584","586","10.1107/S1600536814025793","","","0.71073","MoKα","","0.0629","0.044","","","0.1033","0.1152","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240260","5.2123","0.0002","9.5031","0.0003","41.3363","0.0017","90","","90","","90","","2047.51","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(tert-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","N-(tert-Butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","ZS2321","Lenartowicz, Paweł; Makowski, Maciej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of N-(tert-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester (Boc‒Phe‒ΔAla‒OiPr)","Acta Crystallographica Section E","2014","70","12","599","602","10.1107/S1600536814025197","","","0.71073","MoKα","","0.0624","0.0458","","","0.0748","0.0785","","","","","","0.984","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240261","20.8082","0.0015","7.2521","0.0004","24.386","0.002","90","","111.599","0.007","90","","3421.5","0.5","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ^2^N,N']rhenium(I)","","- C16 H10 Br N4 O3 Re -","- C16 H10 Br N4 O3 Re -","- C128 H80 Br8 N32 O24 Re8 -","8","1","WM5089","Piletska, Kseniia; Domasevitch, Konstantin V.; Shtemenko, Alexander V.","Crystal structure of bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ^2^N,N']rhenium(I)","Acta Crystallographica Section E","2014","70","12","587","589","10.1107/S1600536814025604","","","0.71073","MoKα","","0.0374","0.0234","","","0.0481","0.0496","","","","","","0.837","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240262","10.781","0.005","11.682","0.005","14.56","0.005","112.708","0.005","91.908","0.005","113.18","0.005","1517.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate","","- C35 H31 N3 O5 S -","- C35 H31 N3 O5 S -","- C70 H62 N6 O10 S2 -","2","1","SU5015","Nadendla, Eswar Kumar; Jagadeesan, G.; Kannan, D.; Bakthadoss, Mannickam; Gunasekaran, K.","Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate","Acta Crystallographica Section E","2014","70","12","o1295","o1296","10.1107/S160053681402515X","","","0.71073","MoKα","","0.0543","0.0427","","","0.1095","0.118","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240263","9.698","0.0019","10.119","0.002","12.875","0.003","89.86","0.03","83.1","0.03","65.45","0.03","1139.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)","","- C27 H21 F N2 O4 -","- C27 H21 F N2 O4 -","- C54 H42 F2 N4 O8 -","2","1","XU5830","Lu, Xin-Hua; Sun, Hong-Shun; Hu, Jin","Crystal structure of dimethyl 3,3'-[(3-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)","Acta Crystallographica Section E","2014","70","12","593","595","10.1107/S1600536814025756","","","0.71073","MoKα","","0.1055","0.0603","","","0.1429","0.1632","","","","","","1.004","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240264","8.2937","0.0001","17.4137","0.0003","26.9626","0.0004","90","","90","","90","","3894.05","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-propylpyridinium bromide","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C128 H208 Br16 N32 -","16","2","SU5025","Venkatesan, P.; Rajakannan, V.; Thamotharan, S.","Crystal structure of 3-amino-1-propylpyridinium bromide","Acta Crystallographica Section E","2014","70","12","580","583","10.1107/S1600536814025665","","","0.71073","MoKα","","0.0851","0.0364","","","0.0723","0.0854","","","","","","1.003","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240265","9.0431","0.0004","9.316","0.0004","9.754","0.0004","83.381","0.003","75.42","0.004","64.863","0.004","719.92","0.06","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","N-(tert-butoxycarbonyl)glycyl-(Z)-β-bromo-dehydroalanine methyl ester","N-(tert-Butoxycarbonyl)glycyl-(Z)-β-bromodehydroalanine methyl ester","","- C11 H17 Br N2 O5 -","- C11 H17 Br N2 O5 -","- C22 H34 Br2 N4 O10 -","2","1","HB7312","Lenartowicz, Paweł; Makowski, Maciej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of N-(tert-butoxycarbonyl)glycyl-(Z)-β-bromodehydroalanine methyl ester [Boc‒Gly‒(β-Br)^(Z^)ΔAla‒OMe]","Acta Crystallographica Section E","2014","70","12","596","598","10.1107/S1600536814025677","","","0.71073","MoKα","","0.027","0.0241","","","0.0657","0.0662","","","","","","1.062","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240266","7.5748","0.0015","4.4774","0.0009","8.6383","0.0017","90","","90","","90","","292.97","0.1","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Strontium cadmium platinum","","- Cd Pt Sr -","- Cd Pt Sr -","- Cd4 Pt4 Sr4 -","4","0.5","WM5093","Gulo, Fakhili; Köhler, Jürgen","Crystal structure of the intermetallic compound SrCdPt","Acta Crystallographica Section E","2014","70","12","590","592","10.1107/S1600536814025823","","","0.71073","MoKα","","0.0367","0.0304","","","0.0644","0.0658","","","","","","1.068","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240480","7.8097","0.0003","8.467","0.0003","15.1586","0.0006","74.656","0.002","75.955","0.002","65.042","0.002","866.46","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{μ-4-methyl-N'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}-κ^4^O,N,N':O';κ^4^O':O,N,N'-bis[(dimethyl sulfoxide-κO)copper(II)]","","- C26 H38 Cu2 N6 O8 S4 -","- C26 H38 Cu2 N6 O8 S4 -","- C26 H38 Cu2 N6 O8 S4 -","1","0.5","XU5805","Siqueira, Diego Pereira; Siqueira, Maria Carolina Bulhosa; Gervini, Vanessa Carratu; Bresolin, Leandro; de Oliveira, Adriano Bof","Crystal structure of bis{μ-4-methyl-N'-[3-(oxidoimino)butan-2-ylidene]benzenesulfonohydrazidato}bis[(dimethyl sulfoxide-κO)copper(II)]","Acta Crystallographica Section E","2014","70","9","m316","m317","10.1107/S1600536814016651","","","0.71073","MoKα","","0.0424","0.0324","","","0.0853","0.0914","","","","","","1.043","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240701","9.1644","0.0006","6.0277","0.0006","13.1327","0.0009","90","","109.989","0.005","90","","681.75","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-N-(3,4-Dimethoxybenzylidene)morpholin-4-amine","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","RZ5130","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Büyükgüngör, Orhan","Crystal structure of (E)-N-(3,4-dimethoxybenzylidene)morpholin-4-amine","Acta Crystallographica Section E","2014","70","9","o935","","10.1107/S160053681401678X","","","0.71073","MoKα","","0.0836","0.0456","","","0.0944","0.1055","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240704","11.2237","0.0006","9.4471","0.0005","15.8785","0.0009","90","","100.868","0.003","90","","1653.42","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","XU5759","Usha, M. K.; Madan Kumar, S.; Nitinchandra; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","(E)-N'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide","Acta Crystallographica Section E","2014","70","2","o140","","10.1107/S1600536813034879","","","1.54178","CuKα","","0.0816","0.0753","","","0.2007","0.211","","","","","","1.053","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240705","26.252","0.008","4.367","0.0014","12.523","0.004","90","","90","","90","","1435.7","0.8","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","4,6-Diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","","- C6 H6 N4 S -","- C6 H6 N4 S -","- C48 H48 N32 S8 -","8","2","HG5399","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","9","o993","o994","10.1107/S1600536814018029","","","0.71073","MoKα","","0.1086","0.0641","","","0.1024","0.1167","","","","","","0.866","","","","has coordinates,has Fobs","136861","2020-10-21","18:00:00",""
"2240708","22.3034","0.001","5.2531","0.0003","16.5878","0.0008","90","","93.051","0.004","90","","1940.7","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{(E)-4-[(1-Allyl-1H-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine","","- C19 H25 N5 O2 -","- C19 H25 N5 O2 -","- C76 H100 N20 O8 -","4","1","SU2753","Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","Crystal structure of {(E)-4-[(1-allyl-1H-1,2,3-triazol-4-yl)methoxy]benzylidene}[2-(morpholin-4-yl)ethyl]amine","Acta Crystallographica Section E","2014","70","9","o933","o934","10.1107/S1600536814016754","","","0.71073","MoKα","","0.1234","0.0543","","","0.1075","0.13","","","","","","0.928","","","","has coordinates,has disorder,has Fobs","176428","2020-10-21","18:00:00",""
"2240712","8.6188","0.0011","9.7463","0.0015","11.9018","0.0016","100.308","0.01","107.921","0.009","95.163","0.011","924.6","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","HB7177","Manjunath, B. C.; Manjula, M.; Raghavendra, K. R.; Shashikanth, S.; Ajay Kumar, K.; Lokanath, N. K.","2-(3,4-Dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section E","2014","70","2","o121","","10.1107/S1600536813034612","","","1.54178","CuKα","","0.0859","0.0584","","","0.154","0.1802","","","","","","1.066","","","","has coordinates,has Fobs","136869","2020-10-21","18:00:00",""
"2240720","11.9917","0.0019","9.7116","0.0016","12.602","0.002","90","","101.285","0.007","90","","1439.2","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Methylphenyl)-2-(prop-2-yn-1-yl)phthalazin-1(2H)-one","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","IS5329","Usha, M. K.; Madan Kumar, S.; Shyma, P. C.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","4-(4-Methylphenyl)-2-(prop-2-yn-1-yl)phthalazin-1(2H)-one","Acta Crystallographica Section E","2014","70","2","o138","","10.1107/S1600536813034880","","","1.54178","CuKα","","0.0477","0.044","","","0.1265","0.1324","","","","","","1.097","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240721","6.0451","0.0003","17.8151","0.001","16.8627","0.0008","90","","99.69","0.004","90","","1790.1","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-(Anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","XU5815","Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Büyükgüngör, Orhan","Crystal structure of (E)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine","Acta Crystallographica Section E","2014","70","9","o1045","o1046","10.1107/S1600536814018807","","","0.71073","MoKα","","0.1916","0.0461","","","0.0539","0.0763","","","","","","0.713","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240722","13.7183","0.001","6.204","0.0005","15.1944","0.0011","90","","112.865","0.003","90","","1191.56","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethylspiro[imidazolidine-4,1'-indane]-2,5-dione","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","TK5331","Hussein, Wahraan Mohammed; Theodore, Cynthia E.; Benaka Prasad, S. B.; Madaiah, M.; Naveen, S.; Lokanath, N. K.","Crystal structure of 1-ethylspiro[imidazolidine-4,1'-indane]-2,5-dione","Acta Crystallographica Section E","2014","70","9","o954","","10.1107/S1600536814017097","","","1.54178","CuKα","","0.0462","0.042","","","0.1161","0.1197","","","","","","1.073","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240723","16.981","0.004","8.1081","0.0017","41.66","0.009","90","","90","","90","","5736","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(E)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole","","- C16 H12 Cl N3 S -","- C16 H12 Cl N3 S -","- C256 H192 Cl16 N48 S16 -","16","2","XU5803","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 2-[(E)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","9","o907","o908","10.1107/S1600536814016298","","","0.71073","MoKα","","0.067","0.0441","","","0.0949","0.1092","","","","","","1.039","","","","has coordinates,has Fobs","136882","2020-10-21","18:00:00",""
"2240724","13.279","0.003","9.939","0.003","13.264","0.003","90","","118.56","0.01","90","","1537.6","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1'-(2-Methylpropyl)-2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","XU5809","Theodore, Cynthia E.; Naveen, S.; Benaka Prasad, S. B.; Madaiah, M.; Ananda Kumar, C. S.; Lokanath, N. K.","Crystal structure of 1'-(2-methylpropyl)-2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione","Acta Crystallographica Section E","2014","70","9","o1043","o1044","10.1107/S1600536814018030","","","1.54178","CuKα","","0.0759","0.0657","","","0.1814","0.1953","","","","","","1.057","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240725","5.496","0.0007","11.0177","0.0013","20.249","0.002","90","","90","","90","","1226.1","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-N-Phenyl-N'-[1-(thiophen-2-yl)ethylidene]formohydrazide.","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","IS5369","Dileep, C. S.; Raghavendra, K. R.; Lokanath, N. K.; Ajay Kumar, K.; Sridhar, M. A.","Crystal structure of (E)-N-phenyl-N'-[1-(thiophen-2-yl)ethylidene]formohydrazide","Acta Crystallographica Section E","2014","70","9","o928","o929","10.1107/S1600536814016511","","","1.54178","CuKα","","0.0406","0.0384","","","0.0993","0.1016","","","","","","1.103","","","","has coordinates,has Fobs","136885","2020-10-21","18:00:00",""
"2240726","16.864","0.004","4.7431","0.0008","12.952","0.002","90","","102.34","0.02","90","","1012.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole","2-(1H-Benzimidazol-2-yl)phenol","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","HG5377","Prakash, S. M.; Thiruvalluvar, A.; Rosepriya, S.; Srinivasan, N.","2-(1H-Benzimidazol-2-yl)phenol","Acta Crystallographica Section E","2014","70","2","o184","","10.1107/S1600536814001366","","","0.71073","MoKα","","0.1458","0.0667","","","0.1013","0.1308","","","","","","1.026","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240727","9.164","0.0017","13.1687","0.0018","11.988","0.002","90","","96.825","0.011","90","","1436.4","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","XU5808","Pradeep, P. S.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of cis-1-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one","Acta Crystallographica Section E","2014","70","9","o981","o982","10.1107/S1600536814017826","","","1.54178","CuKα","","0.0537","0.0493","","","0.1349","0.1392","","","","","","1.06","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240734","8.7092","0.0003","10.5639","0.0003","20.34","0.0007","85.678","0.001","79.397","0.001","80.134","0.001","1810.33","0.1","296","","296","","","","","","","","","4","P -1","-P 1","2","","6,7-Dimethoxy-2,4-diphenylquinoline","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","2","TK5285","Prabhuswamy, M.; Madan Kumar, S.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","6,7-Dimethoxy-2,4-diphenylquinoline","Acta Crystallographica Section E","2014","70","2","o165","","10.1107/S1600536814000725","","","1.54178","CuKα","","0.0459","0.041","","","0.1158","0.1202","","","","","","1.04","","","","has coordinates,has Fobs","136896","2020-10-21","18:00:00",""
"2240737","9.875","0.0007","18.0543","0.0015","7.0942","0.0005","90","","100.955","0.007","90","","1241.75","0.16","150.02","0.11","150.02","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-imidazol-3-ium (1,3-dioxoisoindolin-2-yl)acetate","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","XU5807","Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Ali, Muizz","Crystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate","Acta Crystallographica Section E","2014","70","9","o979","o980","10.1107/S1600536814017619","","","0.7107","MoKα","","0.0789","0.0527","","","0.0988","0.1179","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240739","11.3414","0.0003","9.1909","0.0003","12.6799","0.0004","90","","111.569","0.002","90","","1229.17","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[(2S,4R)-6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C14 H17 F N2 O -","- C14 H17 F N2 O -","- C56 H68 F4 N8 O4 -","4","1","SU2767","Pradeep, P. S.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of 1-[(2S*,4R*)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E","2014","70","9","153","156","10.1107/S1600536814019254","","","1.54178","CuKα","","0.0636","0.043","","","0.1107","0.1222","","","","","","0.998","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240741","14.6205","0.0005","14.6205","0.0005","20.2672","0.0006","90","","90","","120","","3751.9","0.2","123","2","123","2","","","","","","","","3","P 31 2 1","P 31 2""","152","pentane-1,5-diol","1,3,5-Tri-p-tolylpentane-1,5-diol","","- C26 H30 O2 -","- C26 H30 O2 -","- C156 H180 O12 -","6","1","SU2686","Thiruvalluvar, A.; Chithiravel, R.; Muthusubramanian, S.; Butcher, R. J.","1,3,5-Tri-p-tolylpentane-1,5-diol","Acta Crystallographica Section E","2014","70","2","o122","o123","10.1107/S160053681400018X","","","0.71073","MoKα","","0.0831","0.0677","","","0.1858","0.1934","","","","","","1.083","","","","has coordinates,has Fobs","136903","2020-10-21","18:00:00",""
"2242286","10.0935","0.0001","14.8256","0.0002","20.0419","0.0003","90","","90","","90","","2999.11","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pentacaesium nonastannide hydroxide tetraammonia","","- Cs5 H13 N4 O Sn9 -","- Cs5 H13 N4 O Sn9 -","- Cs20 H52 N16 O4 Sn36 -","4","1","RU2058","Friedrich, Ute; Korber, Nikolaus","Cs~5~Sn~9~(OH).4NH~3~","Acta Crystallographica, Section E","2014","70","6","i29","i29","10.1107/S1600536814011817","","","0.71073","MoKα","","0.0211","0.0198","","","0.037","0.0374","","","","","","1.048","","","","has coordinates,has Fobs","199838","2020-10-21","18:00:00",""
"2242292","8.077","0.0005","11.2234","0.0006","9.4377","0.0006","90","","97.7087","0.0019","90","","847.81","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-1,4-Bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile","","- C14 H22 N2 O2 Si2 -","- C14 H22 N2 O2 Si2 -","- C28 H44 N4 O4 Si4 -","2","0.5","","Glöcklhofer, Florian; Fröhlich, Johannes; Stöger, Berthold; Weil, Matthias","Crystal structure oftrans-1,4-bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile","Acta Crystallographica Section E Structure Reports Online","2014","70","8","77","","10.1107/S1600536814014251","","","0.71073","MoKα","","0.0364","0.0296","","","0.0414","0.0418","","","","","","2.38","","","","has coordinates,has Fobs","199943","2020-10-21","18:00:00",""
"9017351","10.1936","","24.1959","","6.3218","","90","","91.161","","90","","1558.91","","","","","","","","","","","","Moculta quarry, Angaston, Australia","8","C 1 2/c 1","-C 2yc","15","","","Calcioferrite","- Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 -","- Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 -","- Al2.136 Ca7.88 Fe5.86 H56 Mg2 O80 P12 Sr0.12 -","4","0.5","","Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A.","Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O","Acta Crystallographica, Section E","2014","70","","116","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""