# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T05:34:32+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 Crystallographic Communications') AND volume = 73 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
"2020683","9.6931","0.0019","15.699","0.003","14.614","0.003","90","","108.99","0.03","90","","2102.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","","- C21 H18 Br2 N4 O3 -","- C21 H18 Br2 N4 O3 -","- C84 H72 Br8 N16 O12 -","4","1","WM5334","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing","Crystal structure of N-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2017","73","1","1","3","10.1107/S2056989016019034","","","0.71073","MoKα","","0.1538","0.0616","","","0.1193","0.1477","","","","","","0.978","","","","has coordinates,has Fobs","191425","2020-10-21","18:00:00",""
"2020703","18.7651","0.001","6.9193","0.0004","17.259","0.001","90","","90","","90","","2240.9","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","(E)-2,6-Di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C84 H104 N16 O20 -","4","0.5","","Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa","Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E Crystallographic Communications","2017","73","2","96","","10.1107/S2056989016020107","","","0.71073","MoKα","","0.1842","0.0712","","","0.1633","0.2146","","","","","","0.963","","","","has coordinates,has Fobs","189993","2020-10-21","18:00:00",""
"2020739","8.5376","0.0004","15.22","0.001","12.1214","0.0006","90","","96.195","0.006","90","","1565.88","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C52 H40 Fe2 N20 O4 S4 -","2","0.5","WM5371","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate","Acta Crystallographica Section E Crystallographic Communications","2017","73","4","463","","10.1107/S205698901700322X","","","0.71073","MoKα","","0.0511","0.0373","","","0.088","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","194089","2020-10-21","18:00:00",""
"2020828","4.3677","0.0006","14.0232","0.0012","15.1816","0.0018","90","","96.153","0.016","90","","924.5","0.19","153","2","153","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N^2^,N^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide","","- C18 H20 N6 O4 -","- C18 H20 N6 O4 -","- C36 H40 N12 O8 -","2","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.1135","0.0506","","","0.1076","0.1224","","","","","","0.767","","","","has coordinates,has Fobs","199112","2020-10-21","18:00:00",""
"2020829","14.9776","0.0016","17.3228","0.0012","29.57","0.004","90","","90","","90","","7672.1","1.4","153","2","153","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Poly[[[μ~4~-N^2^,N^3^-bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide]silver(I)] nitrate]","","- C18 H16 Ag N7 O5 -","- C18 H16 Ag N7 O5 -","- C288 H256 Ag16 N112 O80 -","16","","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer","Acta Crystallographica Section E Crystallographic Communications","2017","73","6","798","","10.1107/S2056989017006387","","","0.71073","MoKα","","0.089","0.0454","","","0.0977","0.1069","","","","","","0.903","","","","has coordinates,has disorder,has Fobs","199112","2020-10-21","18:00:00",""
"2020830","8.0209","0.0003","14.5364","0.0005","25.0008","0.0008","90","","98.499","0.001","90","","2882.96","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-N-[(2-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","2","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0498","0.0488","","","0.1376","0.1389","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","199121","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020839","5.9124","0.0002","17.6155","0.0005","20.3351","0.0006","90","","96.563","0.003","90","","2104.02","0.11","295","2","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(1-{4-[2-(2,4-Dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea 1,1,2,2-tetrachloroethane monosolvate","","- C17 H17 Cl4 N5 O2 S -","- C17 H17 Cl4 N5 O2 S -","- C68 H68 Cl16 N20 O8 S4 -","4","1","HB7686","Riyadh, Sayed; Hughes, David L.; Said, Musa A.","Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound","Acta Crystallographica Section E Crystallographic Communications","2017","73","9","1271","","10.1107/S2056989017010830","","","0.71073","Mo-Kα","","0.0865","0.0764","","","0.1967","0.2035","","","","","","1.087","","","","has coordinates,has Fobs","199460","2020-10-21","18:00:00",""
"2020877","7.3257","0.0015","9.0188","0.0018","15.578","0.003","81.7","0.03","77.64","0.03","68.9","0.03","935.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis{μ~2~-4,4'-bis[(1,2,4-triazol-1-yl)methyl]biphenyl-κ^2^N^4^:N^4'^}bis(nitrato-κO)zinc(II)]","","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","- C36 H32 N14 O6 Zn -","1","0.5","VN2130","Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping","A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture","Acta Crystallographica Section E Crystallographic Communications","2017","73","10","1402","","10.1107/S2056989017012452","","","0.71073","MoKα","","0.0664","0.0509","","","0.1295","0.1434","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","200207","2020-10-21","18:00:00",""
"2241969","13.4874","0.0007","13.7517","0.0008","13.8397","0.0008","89.48","0.001","80.345","0.001","60.858","0.001","2202.4","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ-(E)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^O,N,N',O'}bis[dibutyltin(IV)]","","- C48 H56 N4 O4 Sn2 -","- C48.003 H56.009 N4 O4 Sn2 -","- C96.006 H112.018 N8 O8 Sn4 -","2","1","","Carlos, Camacho-Camacho; Naytzé, Ortiz-Pastrana; Ariadna, Garza-Ortiz; Irma, Rojas-Oviedo","Crystal structure of bis{μ-(E)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^O,N,N',O'}bis[dibutyltin(IV)]","Acta Crystallographica Section E","2017","73","1","4","7","10.1107/S2056989016018867","","","0.71073","MoKα","","0.0392","0.032","","","0.0736","0.077","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","188822","2020-10-21","18:00:00",""
"2241973","16.2618","0.0007","11.6708","0.0005","14.7359","0.0007","90","","96.945","0.002","90","","2776.2","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6E,20E)-3,24-Difluoro-13,14,28,29-tetrahydro-5H,\ 22H-tetrabenzo[e,j,p,u] [1,4,12,15]tetraoxacyclodocosine-5,22-dione","","- C34 H26 F2 O6 -","- C34 H26 F2 O6 -","- C136 H104 F8 O24 -","4","1","","Mohamed, Shaaban K.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hosten, Eric","Crystal structure of (6E,20E)-3,24-difluoro-13,14,28,29-tetrahydro-5H,22H-tetrabenzo[e,j,p,u][1,4,12,15]tetraoxacyclodocosine-5,22-dione","Acta Crystallographica Section E","2017","73","1","13","16","10.1107/S2056989016018934","","","0.71073","MoKα","","0.0581","0.0403","","","0.0941","0.1058","","","","","","1.014","","","","has coordinates,has Fobs","188985","2020-10-21","18:00:00",""
"2241974","12.4034","0.0004","13.2921","0.0004","15.4869","0.0004","88.828","0.003","86.336","0.003","73.586","0.003","2444.21","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis[tris(2,2'-bipyridine-κ^2^N,N')nickel(II)] bis(7,7,8,8-tetracyanoquinonedimethane radical anion) bi[7,7,8,8-tetracyanoquinonedimethanide] hexahydrate","","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","- C108 H76 N28 Ni2 O6 -","1","0.5","ZL2686","Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal","Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane)","Acta Crystallographica Section E","2017","73","1","8","12","10.1107/S2056989016019162","","","0.71073","MoKα","","0.091","0.0492","","","0.1071","0.126","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","188986","2020-10-21","18:00:00",""
"2241975","7.8783","0.0002","8.9254","0.0003","18.7372","0.0005","77.243","0.002","82.423","0.002","78.856","0.002","1255.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl acetate","","- C11 H13 N3 O2 S -","- C11 H13 N3 O2 S -","- C44 H52 N12 O8 S4 -","4","2","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0499","0.0384","","","0.1004","0.1087","","","","","","1.032","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241976","7.8145","0.0004","9.7538","0.0005","10.905","0.0007","78.855","0.004","69.031","0.002","84.2","0.003","761.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-[1-(2-Carbamothioylhydrazinylidene)ethyl]phenyl benzoate","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","SU5323","Viswanathan, Vijayan; Ananth, Mani Karthik; Narasimhan, S.; Velmurugan, Devadasan","Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate","Acta Crystallographica Section E","2017","73","1","20","23","10.1107/S2056989016018983","","","0.71073","MoKα","","0.0372","0.0339","","","0.0952","0.0988","","","","","","1.046","","","","has coordinates,has Fobs","189030","2020-10-21","18:00:00",""
"2241977","19.27","0.004","7.795","0.0016","14.834","0.003","90","","91.71","0.03","90","","2227.2","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","{(S)-1-Phenyl-N,N-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^N,N',N''}bis(thiocyanato-κN)zinc(II)","","- C22 H21 N5 S2 Zn -","- C22 H21 N5 S2 Zn -","- C88 H84 N20 S8 Zn4 -","4","1","IS5466","Lee, Dong Won; Shin, Jong Won","Crystal structure of {(S)-1-phenyl-N,N-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^N,N',N''}bis(thiocyanato-κN)zinc from synchrotron data","Acta Crystallographica Section E","2017","73","1","17","19","10.1107/S2056989016019253","","","0.63","synchrotron","","0.0511","0.0393","","","0.0874","0.0933","","","","","","0.988","","","","has coordinates,has Fobs","189031","2020-10-21","18:00:00",""
"2241978","9.7997","0.0007","10.0959","0.0007","11.0401","0.0008","96.618","0.006","102.741","0.006","113.902","0.007","948.02","0.14","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Bis(μ-N-hydroxypicolinamidato)bis[bis(N-hydroxypicolinamide)sodium]","","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","- C36 H34 N12 Na2 O12 -","1","0.5","XU5895","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.","Crystal structure of bis(μ-N-hydroxypicolinamidato)bis[bis(N-hydroxypicolinamide)sodium]","Acta Crystallographica Section E","2017","73","1","24","27","10.1107/S2056989016019095","","","0.71073","MoKα","","0.1251","0.0635","","","0.1244","0.1435","","","","","","0.963","","","","has coordinates,has Fobs","189032","2020-10-21","18:00:00",""
"2241979","8.9387","0.0002","15.0607","0.0004","11.9235","0.0003","90","","92.949","0.001","90","","1603.05","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu cyclen](ClO4)2","(Perchlorato-κO)(1,4,7,10-tetraazacyclododecane-κ^4^N)copper(II) perchlorate","","- C8 H20 Cl2 Cu N4 O8 -","- C8 H20 Cl2 Cu N4 O8 -","- C32 H80 Cl8 Cu4 N16 O32 -","4","1","ZL2687","Gray, Jessica L.; Gerlach, Deidra L.; Papish, Elizabeth T.","Crystal structure of (perchlorato-κO)(1,4,7,10-tetraazacyclododecane-κ^4^N)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","1","31","34","10.1107/S2056989016019563","","","0.71073","MoKα","","0.0297","0.0247","","","0.0652","0.0675","","","","","","1.022","","","","has coordinates,has Fobs","189033","2020-10-21","18:00:00",""
"2241980","12.425","0.005","13.912","0.005","17.382","0.005","90","","104.395","0.005","90","","2910.3","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","meso-Di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","","- C58 H43.62 Cd2 Cl2 N16 O2.81 -","- C58 H42 Cd2 Cl2 N16 O2.806 -","- C116 H84 Cd4 Cl4 N32 O5.612 -","2","0.5","WM5346","Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Setifi, Zouaoui; Touzani, Rachid; Glidewell, Christopher","Crystal structure of meso-di-μ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate","Acta Crystallographica Section E","2017","73","1","48","52","10.1107/S205698901601971X","","","0.71073","MoKα","","0.0642","0.0434","","","0.1136","0.131","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","189159","2020-10-21","18:00:00",""
"2241981","12.0235","0.0008","13.4263","0.0007","13.6588","0.0004","90.297","0.003","98.481","0.004","110.48","0.005","2039.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[2-(4-Chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol","","- C24 H21 Cl N2 O -","- C24 H21 Cl N2 O -","- C96 H84 Cl4 N8 O4 -","4","2","HG5480","Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R.; Abdelhamid, Antar A.; Simpson, Jim","Crystal structure of 1-[2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","1","59","62","10.1107/S2056989016019332","","","1.54184","CuKα","","0.0823","0.0711","","","0.1808","0.1877","","","","","","1.092","","","","has coordinates,has Fobs","189160","2020-10-21","18:00:00",""
"2241982","11.565","0.002","8.0504","0.0016","20.665","0.004","90","","97.68","0.03","90","","1906.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-9-({[4-(Diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol","","- C23 H29 N3 O -","- C23 H29 N3 O -","- C92 H116 N12 O4 -","4","1","SU5338","Faizi, Md. Serajul Haque; Ahmad, Musheer; Kapshuk, Anatoly A.; Golenya, Irina A.","Crystal structure of (E)-9-({[4-(diethylamino)phenyl]imino}methyl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol","Acta Crystallographica Section E","2017","73","1","38","40","10.1107/S2056989016019733","","","0.71073","MoKα","","0.1093","0.0635","","","0.1292","0.15","","","","","","1.064","","","","has coordinates,has disorder","189161","2020-10-21","18:00:00",""
"2241983","10.6784","0.0008","8.0954","0.0006","17.9032","0.0014","90","","98.105","0.005","90","","1532.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4b,8a-Dihydro-9H-pyrido[3,4-b]indol-1-yl)-7-methyl-2H-chromen-2-one","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C84 H56 N8 O8 -","4","1","SU5339","Samundeeswari, S.; Kulkarni, Manohar V.; Anil Kumar, G. N.","Crystal structure of 4-(4b,8a-dihydro-9H-pyrido[3,4-b]indol-1-yl)-7-methyl-2H-chromen-2-one","Acta Crystallographica Section E","2017","73","1","56","58","10.1107/S2056989016019769","","","0.71073","MoKα","","0.131","0.0598","","","","0.1659","","","","","","0.944","","","","has coordinates,has Fobs","189162","2020-10-21","18:00:00",""
"2241984","11.6986","0.0001","28.7847","0.0004","11.8471","0.0001","90","","106.339","0.0009","90","","3828.28","0.07","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κS]bis(triphenylphosphane-κP)copper(I)","","- C43 H37 Cl Cu N3 O2 P2 S -","- C43 H37 Cl Cu N3 O2 P2 S -","- C172 H148 Cl4 Cu4 N12 O8 P8 S4 -","4","1","WM5344","Nimthong-Roldán, Arunpatcha; Promsuwhan, Nichakan; Puetpaiboon, Walailak; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κS]bis(triphenylphosphane-κP)copper(I)","Acta Crystallographica Section E","2017","73","1","41","44","10.1107/S2056989016019368","","","0.71073","MoKα","","0.0495","0.0349","","","0.0895","0.0952","","","","","","1.104","","","","has coordinates,has Fobs","189163","2020-10-21","18:00:00",""
"2241985","6.7866","0.0004","7.1789","0.0003","14.0981","0.0005","94.098","0.003","93.461","0.004","106.154","0.004","655.75","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Oxo-2H-chromen-3-yl 4-chlorobenzoate","","- C16 H9 Cl O4 -","- C16 H9 Cl O4 -","- C32 H18 Cl2 O8 -","2","1","HB7629","Ziki, Eric; Sosso, Siaka; Mansilla-Koblavi, Frédérica; Djandé, Abdoulaye; Kakou-Yao, Rita","Crystal structure of 2-oxo-2H-chromen-3-yl 4-chlorobenzoate and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","1","45","47","10.1107/S2056989016019538","","","1.54184","CuKα","","0.044","0.0387","","","0.1012","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","189164","2020-10-21","18:00:00",""
"2241986","14.1513","0.0004","7.6557","0.0002","16.9423","0.0004","90","","113.805","0.001","90","","1679.34","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[Bis(N-acethylthiomorpholine-κS)copper(I)]-μ-iodido]","","- C12 H22 Cu I N2 O2 S2 -","- C12 H22 Cu I N2 O2 S2 -","- C48 H88 Cu4 I4 N8 O8 S8 -","4","1","","Chiang, Hojae; Kim, Tae Ho; Park, Hyunjin; Kim, Jineun","Crystal structure of catena-poly[[bis(N-acethylthiomorpholine-κS)copper(I)]-μ-iodido]","Acta Crystallographica Section E","2017","73","1","53","55","10.1107/S2056989016019794","","","0.71073","MoKα","","0.0213","0.0183","","","0.0434","0.0445","","","","","","1.051","","","","has coordinates,has Fobs","189165","2020-10-21","18:00:00",""
"2241987","7.064","0.0001","25.2362","0.0004","7.6494","0.0001","90","","113.243","0.001","90","","1252.97","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-Chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine","","- C13 H12 Cl N5 -","- C13 H12 Cl N5 -","- C52 H48 Cl4 N20 -","4","1","LH5830","Repich, Hlib; Orysyk, Svitlana; Savytskyi, Pavlo; Pekhnyo, Vasyl","Synthesis and crystal structure of N-(4-chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine","Acta Crystallographica Section E","2017","73","1","35","37","10.1107/S2056989016019629","","","0.71073","MoKα","","0.0459","0.0389","","","0.096","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","189166","2020-10-21","18:00:00",""
"2241988","13.8447","0.0006","9.2316","0.0004","14.7018","0.0006","90","","99.605","0.002","90","","1852.68","0.14","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9S,13S,14S)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate","","- C36 H52 Cl4 Co N2 O2 -","- C36 H52 Cl4 Co N2 O2 -","- C72 H104 Cl8 Co2 N4 O4 -","2","0.5","SJ5517","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9S,13S,14S)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0454","0.0342","","","0.0785","0.0832","","","","","","1.041","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241989","13.8066","0.0016","9.2934","0.0012","14.651","0.003","90","","99.318","0.006","90","","1855.1","0.5","173","2","173","","","","","","","","","6","C 1 2 1","C 2y","5","","Bis[(9S,13S,14S)-3-methoxy-17-methylmorphinanium] tetrachloridocuprate","","- C36 H52 Cl4 Cu N2 O2 -","- C36 H52 Cl4 Cu N2 O2 -","- C72 H104 Cl8 Cu2 N4 O4 -","2","0.5","","Gauchat, Eric; Nazarenko, Alexander Y.","Crystal structures of bis[(9S,13S,14S)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate","Acta Crystallographica Section E","2017","73","1","63","67","10.1107/S2056989016019939","","","0.71073","MoKα","","0.0585","0.0391","","","0.0907","0.0999","","","","","","1.077","","","","has coordinates,has Fobs","189277","2020-10-21","18:00:00",""
"2241990","12.573","0.0004","5.4443","0.0002","18.2266","0.0006","90","","97.754","0.002","90","","1236.22","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R*,3aR*)-2-Phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole","","- C12 H15 N O3 S -","- C12 H15 N O3 S -","- C48 H60 N4 O12 S4 -","4","1","RZ5200","Hernández, Yaiza; Marcos, Isidro; Garrido, Narciso M.; Sanz, Francisca; Diez, David","Crystal structure of (2R*,3aR*)-2-phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole","Acta Crystallographica Section E","2017","73","1","85","87","10.1107/S2056989016019952","","","1.54178","CuKα","","0.044","0.0419","","","0.1071","0.1091","","","","","","1.04","","","","has coordinates,has Fobs","189328","2020-10-21","18:00:00",""
"2241991","16.044","0.002","16.221","0.002","15.041","0.002","90","","93.335","0.003","90","","3907.8","0.9","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ^4^N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate","","- C24 H50 Cr4 N12 O8 S4 -","- C24 H50 Cr4 N12 O8 S4 -","- C96 H200 Cr16 N48 O32 S16 -","4","0.5","WM5351","Moon, Dohyun; Takase, Masahiro; Akitsu, Takashiro; Choi, Jong-Ha","Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ^4^N)(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2017","73","1","72","75","10.1107/S2056989016020120","","","0.62","synchrotron","","0.0658","0.0462","","","0.1386","0.1475","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","189329","2020-10-21","18:00:00",""
"2241992","6.2927","0.0007","17.9903","0.0019","7.2991","0.0008","90","","95.216","0.004","90","","822.89","0.16","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3aR,3'aR,7aS,7'aS)-2,2,2',2'-Tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl]","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","1","RZ5201","Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Silveira, Gustavo P.; Vilela, Guilherme D.; Suescun, Leopoldo","Crystal structure and absolute configuration of (3aR,3'aR,7aS,7'aS)-2,2,2',2'-tetramethyl-3a,6,7,7a,3'a,6',7',7'a-octahydro-4,4'-bi[1,3-benzodioxolyl], obtained from a Pd-catalyzed homocoupling reaction","Acta Crystallographica Section E","2017","73","1","81","84","10.1107/S2056989016019927","","","1.54178","CuKα","","0.0281","0.0271","","","0.0704","0.0711","","","","","","1.078","","","","has coordinates,has Fobs","189330","2020-10-21","18:00:00",""
"2241993","14.3058","0.0008","9.0983","0.0005","14.7315","0.0008","90","","100.553","0.001","90","","1885","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-Carbonyl-1:2κ^2^C:C-carbonyl-1κC-(1η^5^-cyclopentadienyl)iodido-2κI-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κC^1^:2κ^2^N,C^1^]ironpalladium(Fe—Pd) benzene monosolvate","","- C20 H16 Fe I N O2 Pd -","- C20 H16 Fe I N O2 Pd -","- C80 H64 Fe4 I4 N4 O8 Pd4 -","4","1","HB7640","Verpekin, Victor V.; Kreindlin, Arkadii Z.; Semeikin, Oleg V.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Chudin, Oleg S.; Ustynyuk, Nikolai A.","Crystal structure of μ-carbonyl-1:2κ^2^C:C-carbonyl-1κC-(1η^5^-cyclopentadienyl)iodido-2κI-[μ-2-(pyridin-2-yl)ethene-1,1-diyl-1κC^1^:2κ^2^N,C^1^]ironpalladium(Fe—Pd) benzene monosolvate","Acta Crystallographica Section E","2017","73","1","68","71","10.1107/S2056989016019915","","","0.71073","MoKα","","0.0291","0.0257","","","0.064","0.0658","","","","","","1.145","","","","has coordinates,has Fobs","189331","2020-10-21","18:00:00",""
"2241994","10.289","0.004","7.141","0.003","40.33","0.016","90","","95.164","0.007","90","","2951","2","125","2","125","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trichloro(3,3'-di-t-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-\ biphenyl-2-ol)(tetrahydrofuran)titanium(IV)","","- C28 H41 Cl3 O3 Ti -","- C28 H41 Cl3 O3 Ti -","- C112 H164 Cl12 O12 Ti4 -","4","2","RZ5202","Kim, Yun Young; Tanski, Joseph M.","Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3'-di-tert-butyl-2'-hydroxy-5,5',6,6'-tetramethyl-1,1'-biphenyl-2-olato-κO^2^)(tetrahydrofuran-κO)titanium(IV)","Acta Crystallographica Section E","2017","73","1","88","91","10.1107/S2056989016020156","","","0.71073","MoKα","","0.1518","0.0643","","","0.0988","0.1235","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","189332","2020-10-21","18:00:00",""
"2241995","5.88242","0.00016","20.2162","0.0005","7.7574","0.0002","90","","98.09","0.003","90","","913.33","0.04","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","","- C12 H32 N2 O6 P2 -","- C12 H32 N2 O6 P2 -","- C24 H64 N4 O12 P4 -","2","0.5","","Reiss, Guido J.; van Megen, Martin; Frank, Walter","Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)","Acta Crystallographica Section E","2017","73","1","76","80","10.1107/S2056989016019873","","","0.71073","MoKα","","0.0568","0.0471","","","0.0938","0.0983","","","","","","1.016","","","","has coordinates,has Fobs","189333","2020-10-21","18:00:00",""
"2241996","8.7644","0.0002","9.2002","0.0003","13.1212","0.0003","105.874","0.002","95.08","0.002","115.249","0.003","894.47","0.05","93","","93","","","","","","","","","2","P -1","-P 1","2","","7,15-Bis(4-tert-butylphenyl)-1,9-dimethylheptazethrene","","- C50 H44 -","- C50 H44 -","- C50 H44 -","1","0.5","IS5468","Kamata, Sho; Sato, Sota; Wu, Jishan; Isobe, Hiroyuki","Crystal structure of 7,15-bis(4-tert-butylphenyl)-1,9-dimethylheptazethrene","Acta Crystallographica Section E","2017","73","2","99","102","10.1107/S2056989016020247","","","1.54187","CuKα","","0.0471","0.044","","","0.1284","0.1311","","","","","","1.079","","","","has coordinates,has Fobs","189992","2020-10-21","18:00:00",""
"2241997","9.4601","0.0003","6.3779","0.0002","16.7425","0.0004","90","","104.196","0.001","90","","979.32","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-Hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-one","","- C21 H36 O3 -","- C21 H36 O3 -","- C42 H72 O6 -","2","1","","Martínez, Andrea; Santalla, Hugo; Garrido, Fátima; Barry, Aliou Hamady; Gaye, Mohamed; Fall Diop, Yagamare","Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-one","Acta Crystallographica Section E","2017","73","2","115","117","10.1107/S2056989016020648","","","1.54178","CuKα","","0.0335","0.033","","","0.0961","0.0965","","","","","","1.047","","","","has coordinates,has Fobs","189994","2020-10-21","18:00:00",""
"2241998","6.4243","0.0012","31.818","0.006","7.6595","0.0014","90","","100.736","0.005","90","","1538.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-{[(4-Anilinophenyl)imino]methyl}-4-nitrophenol","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","HB7649","Faizi, Md. Serajul Haque; Haque, Ashanul; Kalibabchuk, Valentina A.","Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2017","73","2","112","114","10.1107/S2056989016020673","","","0.71073","MoKα","","0.1747","0.0667","","","0.0987","0.1246","","","","","","1.013","","","","has coordinates,has Fobs","189995","2020-10-21","18:00:00",""
"2241999","8.1468","0.0005","20.3402","0.0011","12.0155","0.0007","90","","90","","90","","1991.1","0.2","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","22,24,25-Trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","0.5","XU5896","Nguyen, Van Tuyen; Truong, Hong Hieu; Le, Tuan Anh; Soldatenkov, Anatoly T.; Thi, Tuyet Anh Dang; Tran, Thi Thanh Van; Esina, Natalia Ya.; Khrustalev, Victor N.","Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-23-one","Acta Crystallographica Section E","2017","73","2","118","121","10.1107/S2056989016020508","","","0.71073","MoKα","","0.076","0.0561","","","0.1197","0.1298","","","","","","1.018","","","","has coordinates,has Fobs","189996","2020-10-21","18:00:00",""
"2242000","11.8301","0.0007","22.3946","0.0013","13.4254","0.0008","90","","90","","90","","3556.8","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Di-μ-bromido-μ-{2-(2,2-dimethylpropanimidoyl)-N-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-bis[(diethyl ether)lithium]","","- C32 H53 Br2 Li2 N3 O2 -","- C32 H53 Br2 Li2 N3 O2 -","- C128 H212 Br8 Li8 N12 O8 -","4","0.5","LH5823","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","0.71073","MoKα","","0.0701","0.0521","","","0.1329","0.1399","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242001","12.2546","0.0003","12.724","0.0003","15.9477","0.0005","75.8613","0.0015","68.0449","0.0015","83.22","0.0017","2235.49","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-2:3κ^4^Br:Br-bis{2-(2,2-dimethylpropanimidoyl)-N-[2-(2,2-dimethylpropanimidoyl)-4-methylphenyl]-4-methylaniline}-1κ^3^N,N',N'';4κ^3^N,N',N''-tetra-μ-isopropanolato-1:2κ^4^O:O;3:4κ^4^O:O-diisopropanolato-1κO,4κO-2,3-dilithium-1,4-dititanium","","- C97.5 H140 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","- C66 H106 Br2 Li2 N6 O6 Ti2 -","1","0.5","","Pedziwiatr, Jakub; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Crystal structures of a novel NNN pincer ligand and its dinuclear titanium(IV) alkoxide pincer complex","Acta Crystallographica Section E","2017","73","2","122","126","10.1107/S2056989016019964","","","1.54178","CuKα","","0.067","0.0579","","","0.1635","0.1723","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189999","2020-10-21","18:00:00",""
"2242002","6.715","0.0006","10.9591","0.0013","11.1704","0.001","72.162","0.009","79.721","0.007","76.873","0.008","756.79","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-3-methyl-r-2,c-6-diphenylpiperidin-4-one","","- C18 H18 Cl N O -","- C18 H18 Cl N O -","- C36 H36 Cl2 N2 O2 -","2","1","HB7647","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0666","0.0573","","","0.1561","0.1683","","","","","","1.045","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242003","13.0578","0.0002","22.6513","0.0004","5.93756","0.00008","90","","90","","90","","1756.19","0.05","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-r-2,c-6-di-p-tolylpiperidin-4-one","","- C20 H22 Cl N O -","- C20 H22 Cl N O -","- C80 H88 Cl4 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.035","0.0339","","","0.0857","0.087","","","","","","1.066","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242004","13.243","0.0004","22.3945","0.0006","5.81947","0.00014","90","","90","","90","","1725.88","0.08","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Chloro-3-methyl-r-2,c-6-bis(4-chlorophenyl)piperidin-4-one","","- C18 H16 Cl3 N O -","- C18 H16 Cl3 N O -","- C72 H64 Cl12 N4 O4 -","4","1","","Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P.","Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones","Acta Crystallographica Section E","2017","73","2","107","111","10.1107/S2056989016020661","","","1.54184","CuKα","","0.0336","0.0319","","","0.082","0.0836","","","","","","1.02","","","","has coordinates,has Fobs","190000","2020-10-21","18:00:00",""
"2242005","7.9596","0.0018","8.76","0.0017","24.121","0.004","76.138","0.008","81.803","0.008","87.253","0.009","1616","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{N-[1-(pyridin-2-yl-κN)ethyl]pyridine-4-carbohydrazonato-κ^2^N',O}nickel(II)‒2,5-dichloroterephthalic acid (1/1)","","- C34 H26 Cl2 N8 Ni O6 -","- C34 H26 Cl2 N8 Ni O6 -","- C68 H52 Cl4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0569","0.0527","","","0.1256","0.1298","","","","","","1.133","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242006","7.874","0.0014","8.9716","0.0015","24.233","0.004","75.04","0.009","82.162","0.01","86.007","0.011","1637.3","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","Bis{N-[1-(pyridin-2-yl-κN)ethyl]pyridine-4-carbohydrazonato-κ^2^N',O}nickel(II)‒2,5-dibromoterephthalic acid (1/1)","","- C34 H26 Br2 N8 Ni O6 -","- C34 H26 Br2 N8 Ni O6 -","- C68 H52 Br4 N16 Ni2 O12 -","2","1","HB7631","Nakanishi, Takumi; Sato, Osamu","Crystal structures of two nickel compounds comprising neutral Ni^II^ hydrazone complexes and dicarboxylic acids","Acta Crystallographica Section E","2017","73","2","103","106","10.1107/S2056989016020326","","","0.71075","MoKα","","0.0582","0.0505","","","0.103","0.1073","","","","","","1.141","","","","has coordinates,has Fobs","190001","2020-10-21","18:00:00",""
"2242007","11.1554","0.0008","45.224","0.003","11.5856","0.0008","90","","96.645","0.002","90","","5805.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-N^1^-[(Anthracen-9-yl)methylidene]-N^4^-phenylbenzene-1,4-diamine","","- C27 H20 N2 -","- C27 H20 N2 -","- C324 H240 N24 -","12","3","ZS2373","Faizi, Md. Serajul Haque; Haque, Ashanul; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of (E)-N^1^-[(anthracen-9-yl)methylidene]-N^4^-phenylbenzene-1,4-diamine","Acta Crystallographica Section E","2017","73","2","137","140","10.1107/S2056989016020612","","","0.71073","MoKα","","0.0924","0.0521","","","0.1057","0.121","","","","","","1.037","","","","has coordinates,has Fobs","190358","2020-10-21","18:00:00",""
"2242008","10.7731","0.0006","13.1932","0.0006","17.0021","0.0009","104.53","0.002","96.3822","0.0016","110.836","0.0015","2131.96","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(2,2'-Bipyridyl)[2,6-bis(1-butyl-1H-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C39 H37 Cl F6 Ir N7 O6 S2 -","- C78 H74 Cl2 F12 Ir2 N14 O12 S4 -","2","1","","Smith, Victoria I.; Nozari, Mohammad; Zeller, Matthias; Addison, Anthony W.","Crystal structure of (2,2'-bipyridyl)[2,6-bis(1-butyl-1H-benzimidazol-2-yl)pyridine]chloridoiridium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2017","73","2","127","132","10.1107/S205698901700010X","","","0.71073","MoKα","","0.0624","0.0418","","","0.0762","0.0814","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190359","2020-10-21","18:00:00",""
"2242009","11.627","0.004","18.929","0.004","13.085","0.003","90","","93.67","0.02","90","","2873.9","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Amino-1-(2',3'-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C96 H160 N32 O40 -","8","4","SU5343","Piccialli, Vincenzo; Borbone, Nicola; Oliviero, Giorgia; Piccialli, Gennaro; D'Errico, Stefano; Centore, Roberto","5-Amino-1-(2',3'-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure with Z' = 4","Acta Crystallographica Section E","2017","73","2","183","187","10.1107/S2056989017000500","","","0.71073","MoKα","","0.055","0.0389","","","0.08","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","190477","2020-10-21","18:00:00",""
"2242010","15.7287","0.0008","16.153","0.001","20.2896","0.0008","98.782","0.004","104.35","0.004","118.407","0.006","4165.4","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide","","- C54 H108 N6 O18 Rb4 Sn9 -","- C54 H108 N6 O18 Rb4 Sn9 -","- C108 H216 N12 O36 Rb8 Sn18 -","2","1","WM5352","Klein, Wilhelm; He, Haiyan; Fässler, Thomas F.","Crystal structure of tris[(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~)rubidium] rubidium nonastannide","Acta Crystallographica Section E","2017","73","2","147","151","10.1107/S2056989017000172","","","0.71073","MoKα","","0.183","0.0541","","","0.0758","0.0935","","","","","","0.622","","","","has coordinates,has Fobs","190478","2020-10-21","18:00:00",""
"2242011","11.2463","0.0007","11.2463","0.0007","33.938","0.002","90","","90","","90","","4292.5","0.5","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","","Bis{(S)-1-[2-(diphenylphosphanyl)ferrocenyl]-(R)-ethyl}ammonium bromide dichloromethane monosolvate","","- C49 H48 Br Cl2 Fe2 N P2 -","- C49 H48 Br Cl2 Fe2 N P2 -","- C196 H192 Br4 Cl8 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz; Stöger, Berthold; Kirchner, Karl","Crystal structure of bis{(S)-1-[2-(diphenylphosphanyl)ferrocenyl]-(R)-ethyl}ammonium bromide dichloromethane monosolvate","Acta Crystallographica Section E","2017","73","2","152","154","10.1107/S2056989016020417","","","0.71073","MoKα","","0.0433","0.0324","","","0.0597","0.0625","","","","","","0.981","","","","has coordinates,has Fobs","190479","2020-10-21","18:00:00",""
"2242012","5.7504","0.0004","9.719","0.0006","12.1976","0.0007","111.196","0.002","96.759","0.002","98.497","0.002","617.69","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","5-Nitroisatin-3-phenylhydrazone","(3E)-5-nitro-3-(2-phenylhydrazinylidene)-1H-indol-2(3H)-one","","- C14 H10 N4 O3 -","- C14 H10 N4 O3 -","- C28 H20 N8 O6 -","2","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Bortoluzzi, Adaílton João; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (3E)-5-nitro-3-(2-phenylhydrazinylidene)-1H-indol-2(3H)-one","Acta Crystallographica Section E","2017","73","2","168","172","10.1107/S2056989016020375","","","0.71073","MoKα","","0.0489","0.039","","","0.1079","0.1166","","","","","","1.026","","","","has coordinates,has Fobs","190480","2020-10-21","18:00:00",""
"2242013","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0499","0.0398","","","0.1026","0.1112","","","","","","1.026","","","","has coordinates,has Fobs","190481","2020-10-21","18:00:00",""
"2242014","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.0616","0.0392","","","0.0915","0.1053","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242015","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-3-phenyl-1,3-bis(thiophen-2-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","IS5470","Gopinath, S.; Narayanan, P.; Sethusankar, K.; Karunakaran, Jeyachandran; Nandakumar, Meganathan; Mohanakrishnan, Arasambattu K.","Crystal structures of three 1-oxo-1,2-dihydronaphthalene derivatives: dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-1,2-dihydronaphthalene-2,3-dicarboxylate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate and ethyl 1-oxo-2-phenyl-2,4-bis(thiophen-2-yl)-1,2-dihydronaphthalene-3-carboxylate","Acta Crystallographica Section E","2017","73","2","177","182","10.1107/S2056989017000469","","","0.71073","MoKα","","0.1018","0.0607","","","0.1226","0.1469","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","190481","2020-10-21","18:00:00",""
"2242016","8.691","0.0004","11.7296","0.0005","13.12","0.0006","83.922","0.001","77.829","0.001","74.064","0.001","1255.53","0.1","223.15","","223.15","","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[aqua(sulfato-κO)hemi(μ-ethane-1,2-diol-κ^2^O:O')[μ~3~-1,3,5-tris(1H-imidazol-1-ylmethyl)benzene-κ^3^N^3^,N^3'^,N^3''^]nickel(II)] ethane-1,2-diol monosolvate monohydrate]","","- C21 H31 N6 Ni O9 S -","- C21 H31 N6 Ni O9 S -","- C42 H62 N12 Ni2 O18 S2 -","2","1","ZL2688","Zhong, Kai-Long","A new one-dimensional Ni^II^ coordination polymer with a two-dimensional supramolecular architecture","Acta Crystallographica Section E","2017","73","2","192","195","10.1107/S2056989017000470","","","0.71073","MoKα","","0.0349","0.0307","","","0.0746","0.0769","","","","","","1.05","","","","has coordinates,has Fobs","190482","2020-10-21","18:00:00",""
"2242017","6.9094","0.001","7.5828","0.0012","16.468","0.003","79.455","0.004","84.489","0.004","83.833","0.004","840.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-carboxy-1H-imidazol-3-ium) tetrachloridozincate monohydrate","","- C8 H12 Cl4 N4 O5 Zn -","- C8 H12 Cl4 N4 O5 Zn -","- C16 H24 Cl8 N8 O10 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1H-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.0287","0.0243","","","0.0618","0.0643","","","","","","1.03","","","","has coordinates,has Fobs","190483","2020-10-21","18:00:00",""
"2242018","6.9369","0.0019","6.9624","0.0015","28.483","0.008","89.524","0.009","85.622","0.009","71.202","0.008","1298.3","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","bis(4-carboxy-1H-imidazol-3-ium) tetrachloridozincate bis(1H-imidazol-3-ium-4-carboxylato) monohydrate","","- C16 H20 Cl4 N8 O9 Zn -","- C16 H20 Cl4 N8 O9 Zn -","- C32 H40 Cl8 N16 O18 Zn2 -","2","1","PJ2040","Martens, Sean J.; Geiger, David K.","Structural characterization of two tetrachloridozincate salts of 4-carboxy-1H-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate","Acta Crystallographica Section E","2017","73","2","162","167","10.1107/S2056989017000317","","","0.71073","MoKa","","0.072","0.0497","","","0.1235","0.1345","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","190483","2020-10-21","18:00:00",""
"2242019","4.088","0.0003","21.2246","0.0015","10.2037","0.0007","90","","99.407","0.003","90","","873.43","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate","","- C18 H20 N4 O3 S -","- C18 H20 N4 O3 S -","- C36 H40 N8 O6 S2 -","2","1","XU5898","Bahoussi, Rawia Imane; Djafri, Ahmed; Chouaih, Abdelkader; Djafri, Ayada; Hamzaoui, Fodil","Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate","Acta Crystallographica Section E","2017","73","2","173","176","10.1107/S205698901700041X","","","0.71073","MoKα","","0.044","0.036","","","0.0903","0.0943","","","","","","1.061","","","","has coordinates,has Fobs","190484","2020-10-21","18:00:00",""
"2242020","12.0421","0.0001","12.0421","0.0001","11.3925","0.0002","90","","90","","90","","1652.05","0.03","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","Sodium pentapotassium dichloride bis(dithionate)","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl8 K20 Na4 O48 S16 -","4","","WM5357","Harrison, William T. A.; Plater, M. John","An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited","Acta Crystallographica Section E","2017","73","2","188","191","10.1107/S2056989017000494","","","0.71073","MoKα","","0.0162","0.0153","","","0.0427","0.0432","","","","","","1.059","","","","has coordinates,has Fobs","190485","2020-10-21","18:00:00",""
"2242021","6.8658","0.0001","8.7614","0.0001","7.2447","0.0001","90","","114.219","0.002","90","","397.441","0.011","123","2","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Rubidium methyldiazotate","Rubidium methyldiazotate","","- C H3 N2 O Rb -","- C H3 N2 O Rb -","- C4 H12 N8 O4 Rb4 -","4","1","PK2593","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium methyldiazotate","Acta Crystallographica Section E","2017","73","2","159","161","10.1107/S2056989016020429","","","0.71073","MoKα","","0.0206","0.0173","","","0.0412","0.0416","","","","","","1.039","","","","has coordinates,has Fobs","190486","2020-10-21","18:00:00",""
"2242022","11.747","0.008","9.793","0.002","17.339","0.004","90","","102.48","0.05","90","","1947.5","1.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(imidazo[1,2-a]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","","- C14 H18 Cl4 Cu N4 O2 -","- C14 H18 Cl4 Cu N4 O2 -","- C56 H72 Cl16 Cu4 N16 O8 -","4","0.5","VN2122","Mokaddem, Sonia; Boughzala, Habib","Bis(imidazo[1,2-a]pyridin-1-ium) tetrachloridocuprate(II) dihydrate","Acta Crystallographica Section E","2017","73","2","196","199","10.1107/S2056989017000482","","","0.71073","MoKα","","0.0481","0.0382","","","0.1009","0.108","","","","","","1.035","","","","has coordinates,has Fobs","190487","2020-10-21","18:00:00",""
"2242023","8.3676","0.0017","13.088","0.003","6.4867","0.0013","90","","106.3","0.03","90","","681.8","0.3","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Methylsalicylaldehyde","2-Hydroxy-5-methylbenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","LH5831","Baisch, Ulrich; Scicluna, Marie Christine; Näther, Christian; Vella-Zarb, Liana","Planar versus non-planar: The important role of weak C—H···O hydrogen bonds in the crystal structure of 5-methylsalicylaldehyde","Acta Crystallographica Section E","2017","73","2","155","158","10.1107/S2056989017000238","","","0.71073","MoKα","","0.0597","0.0453","","","0.1102","0.1177","","","","","","1.073","","","","has coordinates,has Fobs","190488","2020-10-21","18:00:00",""
"2242025","7.3957","0.0007","4.0932","0.0006","18.1873","0.0017","90","","90","","90","","550.57","0.11","123","2","123.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium peroxide ammonia disolvate","Rubidium peroxide ammonia disolvate","","- H6 N2 O2 Rb2 -","- H6 N2 O2 Rb2 -","- H24 N8 O8 Rb8 -","4","0.5","PJ2039","Grassl, Tobias; Korber, Nikolaus","Crystal structure of rubidium peroxide ammonia disolvate","Acta Crystallographica Section E","2017","73","2","200","202","10.1107/S2056989017000354","","","0.71073","MoKα","","0.0565","0.0499","","","0.1167","0.1183","","","","","","1.346","","","","has coordinates,has Fobs","190794","2020-10-21","18:00:00",""
"2242026","11.8807","0.0004","12.1279","0.0007","8.3962","0.0002","90","","90","","90","","1209.79","0.09","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","Bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","","- C20 H26 Fe N8 O2 -","- C20 H26 Fe N8 O2 -","- C40 H52 Fe2 N16 O4 -","2","0.25","WM5355","Tanaka, Rikako; Matsushita, Nobuyuki","Crystal structure of bis(1-ethylpyridinium) dioxonium hexacyanidoferrate(II)","Acta Crystallographica Section E","2017","73","2","219","222","10.1107/S2056989017000810","","","0.7107","MoKα","","0.0455","0.036","","","0.0852","0.0927","","","","","","1.108","","","","has coordinates,has Fobs","190795","2020-10-21","18:00:00",""
"2242027","24.3426","0.0018","10.4266","0.0007","7.8315","0.0006","90","","90","","90","","1987.7","0.3","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","potassium p-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dipotassium]","","- C6 H10 As K N O4.5 -","- C6 H10 As K N O4.5 -","- C48 H80 As8 K8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0364","0.0303","","","0.0878","0.1254","","","","","","1.231","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242028","24.4783","0.0019","10.4577","0.0009","8.0978","0.0007","90","","90","","90","","2072.9","0.3","200","1","200","1","","","","","","","","6","C m c 21","C 2c -2","36","rubidium p-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dirubidium]","","- C6 H10 As N O4.5 Rb -","- C6 H10 As N O4.5 Rb -","- C48 H80 As8 N8 O36 Rb8 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0371","0.032","","","0.07","0.0723","","","","","","1.026","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242029","24.65","0.003","10.4373","0.0009","8.3992","0.0007","90","","90","","90","","2160.9","0.4","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","caesium p-arsanilate sesquihydrate","Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dicaesium]","","- C6 H10 As Cs N O4.5 -","- C6 H10 As Cs N O4.5 -","- C48 H80 As8 Cs8 N8 O36 -","8","1","WM5350","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid","Acta Crystallographica Section E","2017","73","2","203","208","10.1107/S2056989017000445","","","0.71073","MoKα","","0.0467","0.0405","","","0.126","0.1597","","","","","","1.183","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2242030","10.2029","0.0015","15.089","0.002","7.7814","0.0011","90","","111.545","0.004","90","","1114.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(acetato-κO)copper(II)]-bis[μ-4-(1H-imidazol-1-yl)phenol]-κ^2^N^3^:O;κ^2^O:N^3^]","","- C22 H22 Cu N4 O6 -","- C22 H22 Cu N4 O6 -","- C44 H44 Cu2 N8 O12 -","2","0.5","","Poyraz, Mehmet; Sarı, Musa","Crystal structure of catena-poly[[bis(acetato-κO)copper(II)]-bis[μ-4-(1H-imidazol-1-yl)phenol]-κ^2^N^3^:O;κ^2^O:N^3^]","Acta Crystallographica Section E","2017","73","2","209","212","10.1107/S2056989017000780","","","0.71073","MoKα","","0.0593","0.0413","","","0.0926","0.0997","","","","","","1.15","","","","has coordinates,has Fobs","190797","2020-10-21","18:00:00",""
"2242031","19.5028","0.0017","5.0553","0.0004","15.7573","0.0013","90","","90","","90","","1553.6","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","catena-Poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","","- C14 H16 Cu2 O10 -","- C14 H16 Cu2 O10 -","- C56 H64 Cu8 O40 -","4","0.5","WM5360","van der Horn, Jitschaq A.; Lutz, Martin","Crystal structure of catena-poly[[copper(II)-μ~2~-salicylato-[diaquacopper(II)]-μ~2~-salicylato] dihydrate]","Acta Crystallographica Section E","2017","73","2","235","238","10.1107/S2056989017000883","","","0.71073","MoKα","","0.0741","0.038","","","0.0845","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","190798","2020-10-21","18:00:00",""
"2242032","6.9633","0.0003","19.5008","0.0009","10.2031","0.0005","90","","95.196","0.002","90","","1379.78","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4-Hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazin-1-ylidene]ethyl}-2H-pyran-2-one","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","LH5834","Kirandeep; Husain, Ahmad; Negi, Pooja; Kumar, Girijesh; Kataria, Ramesh","Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one","Acta Crystallographica Section E","2017","73","2","223","226","10.1107/S2056989017000639","","","0.71073","MoKα","","0.052","0.0433","","","0.1161","0.1211","","","","","","1.077","","","","has coordinates,has Fobs","190799","2020-10-21","18:00:00",""
"2242033","11.9999","0.0004","6.3815","0.0002","16.1374","0.0006","90","","109.54","0.002","90","","1164.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cobalt(II) isobutyrate dihydrate","catena-Poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^O:O';κ^2^O:O-cobalt(II)] monohydrate]","","- C8 H18 Co O6 -","- C8 H18 Co O6 -","- C32 H72 Co4 O24 -","4","1","ZS2371","Fischer, Andrei I.; Gurzhiy, Vladislav V.; Aleksandrova, Julia V.; Pakina, Maria I.","Crystal structure of a Co^II^ coordination polymer: catena-poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^O:O';κ^2^O:O-cobalt(II)] monohydrate]","Acta Crystallographica Section E","2017","73","3","318","321","10.1107/S2056989017001360","","","0.71073","MoKα","","0.03","0.0259","","","0.0666","0.068","","","","","","1.028","","","","has coordinates","191352","2020-10-21","18:00:00",""
"2242034","8.5237","0.0003","12.7145","0.0004","13.0583","0.0005","105.022","0.003","97.347","0.003","104.866","0.002","1292.12","0.08","296","","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-3-nitrobenzoato)-κ^3^O,O':O;κ^3^O:O,O'-bis[bis(3-cyanopyridine-κN^1^)(3-nitrobenzoato-κ^2^O,O')cadmium]","","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","- C52 H32 Cd2 N12 O16 -","1","0.5","WM5366","Hökelek, Tuncer; Akduran, Nurcan; Özen, Azer; Uğurlu, Güventürk; Necefoğlu, Hacali","Crystal structure of bis(μ-3-nitrobenzoato)-κ^3^O,O':O;κ^3^O:O,O'-bis[bis(3-cyanopyridine-κN^1^)(3-nitrobenzoato-κ^2^O,O')cadmium]","Acta Crystallographica Section E","2017","73","3","413","416","10.1107/S2056989017002675","","","0.71073","MoKα","","0.0348","0.0293","","","0.0674","0.0722","","","","","","1.218","","","","has coordinates,has Fobs","192749","2020-10-21","18:00:00",""
"2242035","12.7972","0.0006","6.4445","0.0003","22.582","0.001","90","","98.247","0.004","90","","1843.11","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-N-methyl-N-phenyldithiocarbamato)-κ^3^S,S':S;κ^3^S:S,S'-bis[(N-methyl-N-phenyldithiocarbamato-κ^2^S,S')cadmium(II)]","","- C32 H32 Cd2 N4 S8 -","- C32 H32 Cd2 N4 S8 -","- C64 H64 Cd4 N8 S16 -","2","0.5","HB7659","Suwardi, Siti Aisyah Nabilah; Lee, See Mun; Lo, Kong Mun; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(μ~2~-N-methyl-N-phenyldithiocarbamato)-κ^3^S,S':S;κ^3^S:S,S'-bis[(N-methyl-N-phenyldithiocarbamato-κ^2^S,S')cadmium]: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","3","429","433","10.1107/S2056989017002705","","","0.71073","MoKα","","0.0582","0.0371","","","0.0728","0.0859","","","","","","1.045","","","","has coordinates,has Fobs","192750","2020-10-21","18:00:00",""
"2242036","8.6065","0.0008","12.1558","0.0012","23.82","0.002","90","","90","","90","","2492","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","β-Benzyl DL-aspartate N-carboxyanhydride","Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","1","SU5349","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of β-benzyl DL-aspartate N-carboxyanhydride","Acta Crystallographica Section E","2017","73","3","445","447","10.1107/S2056989017003024","","","0.71075","MoKα","","0.1083","0.0468","","","0.0974","0.1153","","","","","","0.981","","","","has coordinates,has Fobs","192751","2020-10-21","18:00:00",""
"2242037","8.3736","0.0004","11.7694","0.0005","15.5623","0.0008","90","","93.251","0.001","90","","1531.23","0.13","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-Dimethoxy-1-(4-nitrophenyl)quinolin-4(1H)-one","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","SU5354","Lien, Vegard Torp; Olberg, Dag Erlend; Klaveness, Jo; Görbitz, Carl Henrik","Crystal structure of 6,7-dimethoxy-1-(4-nitrophenyl)quinolin-4(1H)-one: a molecular scaffold for potential tubulin polymerization inhibitors","Acta Crystallographica Section E","2017","73","3","441","444","10.1107/S2056989017002948","","","0.71073","MoKα","","0.0684","0.047","","","0.1155","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","192752","2020-10-21","18:00:00",""
"2242038","10.125","0.005","10.325","0.005","17.419","0.005","76.583","0.005","83.238","0.005","85.777","0.005","1756.9","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^N,N')bis(3,5-di-tert-butyl-o-benzoquinonato-κ^2^O,O')ruthenium(II)","","- C38 H48 N2 O4 Ru -","- C38 H48 N2 O4 Ru -","- C76 H96 N4 O8 Ru2 -","2","1","IS5467","Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of (2,2'-bipyridine-κ^2^N,N')bis(3,5-di-tert-butyl-o-benzoquinonato-κ^2^O,O')ruthenium(II)","Acta Crystallographica Section E","2017","73","3","459","462","10.1107/S205698901700281X","","","0.71073","MoKα","","0.0782","0.0505","","","0.1269","0.142","","","","","","1.021","","","","has coordinates,has Fobs","192753","2020-10-21","18:00:00",""
"2242039","6.9956","0.0005","8.8589","0.0006","12.0938","0.0009","93.98","0.006","106.603","0.007","102.133","0.006","695.46","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,10-Dimethoxy-13-methyl-6H,12H-6,12-epiminodibenzo[b,f][1,5]dioxocine","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","HG5482","Kasyanova, Katerina V.; Kokozay, Vladimir N.; Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of 4,10-dimethoxy-13-methyl-6H,12H-6,12-epiminodibenzo[b,f][1,5]dioxocine","Acta Crystallographica Section E","2017","73","3","410","412","10.1107/S2056989017002328","","","1.54184","CuKα","","0.0459","0.0406","","","0.1139","0.1206","","","","","","1.065","","","","has coordinates,has Fobs","192754","2020-10-21","18:00:00",""
"2242040","6.9573","0.0006","23.465","0.002","8.3435","0.0007","90","","100.79","0.01","90","","1338","0.2","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bromo hydroxy seselin","rac-(9S,10R)-9-Bromo-10-hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. Mustafizur","Crystal structure of a photobiologically active brominated angular pyranocoumarin: bromo-hydroxy-seselin","Acta Crystallographica Section E","2017","73","3","453","455","10.1107/S2056989017002808","","","0.71073","MoKα","","0.0733","0.0628","","","0.1932","0.2019","","","","","","1.124","","","","has coordinates,has Fobs","192755","2020-10-21","18:00:00",""
"2242041","22.8887","0.0014","13.883","0.0008","21.1396","0.0012","90","","90","","90","","6717.4","0.7","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-Poly[[di(bromido/chlorido)mercury(II)]-μ-2,2'-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole)-κ^2^N^3^:N^3'^]","","- C34 H42 Br1.52 Cl0.48 Hg N4 -","- C34 H42 Br1.515 Cl0.485 Hg N4 -","- C272 H336 Br12.12 Cl3.88 Hg8 N32 -","8","2","ZL2695","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzo[d]imidazole)","Acta Crystallographica Section E","2017","73","3","423","428","10.1107/S2056989017002183","","","1.54184","CuKα","","0.0315","0.0294","","","0.0665","0.0691","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","192756","2020-10-21","18:00:00",""
"2242042","10.167","0.002","13.482","0.003","13.377","0.003","90","","100.838","0.019","90","","1800.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[silver(I)-μ-2,3,5,6-tetrakis[(methylsulfanyl)\ methyl]pyrazine] nitrate]","","- C12 H20 Ag N3 O3 S4 -","- C12 H20 Ag N3 O3 S4 -","- C48 H80 Ag4 N12 O12 S16 -","4","1","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0649","0.0555","","","0.1486","0.1605","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","192757","2020-10-21","18:00:00",""
"2242043","11.8437","0.0014","18.5674","0.0014","7.8444","0.0012","90","","96.856","0.011","90","","1712.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ-nitrato-bis{μ-2,3,5,6-tetrakis[(phenylsulfanyl)methyl]pyrazine}disilver]","","- C32 H28 Ag2 N4 O6 S4 -","- C32 H28 Ag2 N4 O6 S4 -","- C64 H56 Ag4 N8 O12 S8 -","2","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0595","0.0445","","","0.0909","0.1","","","","","","1.159","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242044","13.6319","0.0009","16.2211","0.001","15.7201","0.0011","90","","96.607","0.008","90","","3453","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[trinitrato{μ~6~-2,3,5,6-tetrakis[(pyridin-2-ylsulfanyl)methyl]pyrazine}trisilver(I)]","","- C28 H24 Ag3 N9 O9 S4 -","- C28 H24 Ag3 N9 O9 S4 -","- C112 H96 Ag12 N36 O36 S16 -","4","0.5","","Assoumatine, Tokouré; Stoeckli-Evans, Helen","Silver(I) nitrate complexes of three tetrakis-thioether-substituted pyrazine ligands: metal‒organic chain, network and framework structures","Acta Crystallographica Section E","2017","73","3","434","440","10.1107/S2056989017002791","","","0.71073","MoKα","","0.0735","0.0303","","","0.0468","0.0518","","","","","","0.755","","","","has coordinates,has Fobs","192757","2020-10-21","18:00:00",""
"2242045","4.8731","0.0003","6.2429","0.0004","8.013","0.0005","73.346","0.006","89.701","0.005","89.698","0.005","233.54","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Lithium gallium borate","Trilithium gallium bis(orthoborate)","","- B2 Ga Li3 O6 -","- B2 Ga Li3 O6 -","- B4 Ga2 Li6 O12 -","2","1","WM5356","Smith, Robert W.; Holman, Darien; Villa, Eric M.","Crystal structure of Li~3~Ga(BO~3~)~2~","Acta Crystallographica Section E","2017","73","3","456","458","10.1107/S205698901700295X","","","0.71073","MoKα","","0.0326","0.0279","","","0.0641","0.0667","","","","","","1.09","","","","has coordinates,has Fobs","192758","2020-10-21","18:00:00",""
"2242046","19.8418","0.0014","8.2554","0.0006","28.454","0.002","90","","97.838","0.001","90","","4617.3","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1,2,2-Tetraisopropyl-1,2-diphenyldisilane","","- C24 H38 Si2 -","- C24 H38 Si2 -","- C192 H304 Si16 -","8","2","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0471","0.0363","","","0.0886","0.0959","","","","","","1.033","","","","has coordinates,has Fobs","192759","2020-10-21","18:00:00",""
"2242047","8.8779","0.0007","10.4042","0.0008","29.699","0.002","90","","90.975","0.001","90","","2742.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,2,2-Tetrabromoisopropyl-1,2-diphenyldisilane","","- C24 H34 Br4 Si2 -","- C24 H34 Br4 Si2 -","- C96 H136 Br16 Si8 -","4","1","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0434","0.0283","","","0.0574","0.0623","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242048","8.5622","0.0005","10.2107","0.0006","15.4586","0.001","90","","95.452","0.001","90","","1345.37","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Di-tert-butyl-1,1,2,2-tetraphenyldisilane","","- C32 H38 Si2 -","- C32 H38 Si2 -","- C64 H76 Si4 -","2","0.5","SU5352","Pichaandi, Kothanda Rama; Mague, Joel T.; Fink, Mark J.","Crystal structures of three sterically congested disilanes","Acta Crystallographica Section E","2017","73","3","448","452","10.1107/S2056989017002602","","","0.71073","MoKα","","0.0418","0.0344","","","0.0875","0.092","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","192759","2020-10-21","18:00:00",""
"2242049","26.2427","0.0004","26.2427","0.0004","15.1639","0.0003","90","","90","","90","","10443.1","0.3","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","N-{4-(3-Chloro-4-fluoroanilino)-7-[(tetrahydrofuran-3-yl)oxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide‒acetonitrile‒water (2/1/8)","","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C49 H59.5 Cl2 F2 N10.5 O10 -","- C392 H476 Cl16 F16 N84 O80 -","8","1","SU5351","Zeller, Matthias; de Araujo, Gabriel Lima Barros; Parker, Trev; Singh Rai, Amrinder; Byrn, Stephen R.","A new solvate of afatinib, a specific inhibitor of the ErbB family of tyrosine kinases","Acta Crystallographica Section E","2017","73","3","417","422","10.1107/S2056989017002626","","","1.54178","CuKα","","0.0749","0.0492","","","0.1072","0.1216","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","192760","2020-10-21","18:00:00",""
"2242050","6.737","0.002","10.773","0.003","13.574","0.003","90","","90","","90","","985.2","0.5","298","2","298","2","","","","","","","","5","I b m m","-I 2c 2c","74","","Potassium nickel diiron(III) tris[arsenate(V)]","","- As3 Fe2 K1.25 Ni0.88 O12 -","- As3 Fe2 K1.25 Ni0.875 O12 -","- As12 Fe8 K5 Ni3.5 O48 -","4","0.25","VN2121","Ben Smail, Ridha; Zid, Mohamed Faouzi","K~1+2x~Ni~1{-~x}Fe~2~(AsO~4~)~3~ (x = 0,125): un nouvel arséniate à structure de type α-CrPO~4~","Acta Crystallographica Section E","2017","73","2","239","245","10.1107/S2056989017000950","","","0.71073","MoKα","","0.0308","0.0284","","","0.0872","0.0888","","","","","","1.102","","","","has coordinates,has Fobs","193925","2020-10-21","18:00:00",""
"2242051","7.1021","0.0004","18.0761","0.0008","10.8809","0.0007","90","","108.877","0.007","90","","1321.74","0.14","148","2","148","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Di-n-butylbis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']tin(IV)","","- C18 H38 N2 O2 S4 Sn -","- C18 H38 N2 O2 S4 Sn -","- C36 H76 N4 O4 S8 Sn2 -","2","0.5","HB7654","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul F.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Di-n-butylbis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","260","265","10.1107/S2056989017001098","","","0.71073","MoKα","","0.032","0.0272","","","0.0688","0.0717","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","193926","2020-10-21","18:00:00",""
"2242052","25.1895","0.0016","6.9411","0.0004","8.9697","0.0006","90","","90.943","0.004","90","","1568.08","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide","","- C16 H15 N5 O S -","- C16 H15 N5 O S -","- C64 H60 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.1137","0.0515","","","0.1198","0.1533","","","","","","0.983","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242053","21.7358","0.0007","7.3726","0.0003","8.4487","0.0003","90","","93.092","0.001","90","","1351.93","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide","","- C12 H12 F N5 O S -","- C12 H12 F N5 O S -","- C48 H48 F4 N20 O4 S4 -","4","1","SU5347","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide","Acta Crystallographica Section E","2017","73","2","306","309","10.1107/S2056989017001293","","","0.71073","MoKα","","0.0443","0.0371","","","0.1026","0.1094","","","","","","1.054","","","","has coordinates,has Fobs","193927","2020-10-21","18:00:00",""
"2242054","12.8756","0.0008","13.3719","0.0008","15.9033","0.001","90","","90","","90","","2738.1","0.3","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","IrCl(1,5-cod)~2~","Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C16 H24 Cl Ir -","- C16 H24 Cl Ir -","- C128 H192 Cl8 Ir8 -","8","1","WM5359","Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.","Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2017","73","2","273","277","10.1107/S2056989017000809","","","0.71073","MoKα","","0.0619","0.0347","","","0.0642","0.0721","","","","","","1.005","","","","has coordinates,has Fobs","193928","2020-10-21","18:00:00",""
"2242055","11.639","0.003","9.224","0.002","11.423","0.003","90","","105.211","0.003","90","","1183.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^N,O^2^)chloridocuprate(II)]","","- C18 H20 Cl4 Cu2 N4 O8 -","- C18 H20 Cl4 Cu2 N4 O8 -","- C36 H40 Cl8 Cu4 N8 O16 -","2","0.5","WM5354","Inah, Bassey Enyi; Ayi, Ayi Anyama; Adhikary, Amit","Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^N,O^2^)chloridocuprate(II)]","Acta Crystallographica Section E","2017","73","2","246","249","10.1107/S2056989017001013","","","0.71073","MoKα","","0.0522","0.0394","","","0.1125","0.1265","","","","","","0.861","","","","has coordinates,has Fobs","193929","2020-10-21","18:00:00",""
"2242056","8.2468","0.0003","9.8783","0.0004","15.1039","0.0006","96.144","0.002","105.172","0.002","95.75","0.002","1170.14","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 2-((2Z,5Z)-5-(2-methoxy-2-oxoethylidene)-2-{(E)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","","- C22 H25 N3 O7 S -","- C22 H25 N3 O7 S -","- C44 H50 N6 O14 S2 -","2","1","XU5897","N'ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude","Crystal structure of dimethyl 2-((2Z,5Z)-5-(2-methoxy-2-oxoethylidene)-2-{(E)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate","Acta Crystallographica Section E","2017","73","2","296","299","10.1107/S2056989017001190","","","0.71073","MoKα","","0.0657","0.0551","","","0.1193","0.1233","","","","","","1.223","","","","has coordinates,has disorder,has Fobs","193930","2020-10-21","18:00:00",""
"2242057","16.0754","0.0019","11.8602","0.001","18.495","0.002","90","","115.503","0.013","90","","3182.6","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^,N^3^,N^5^,N^6^-Tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C128 H112 N40 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of N^2^,N^3^,N^5^,N^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and N^2^,N^3^,N^5^,N^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.1633","0.0543","","","0.1032","0.1289","","","","","","0.719","","","","has coordinates,has Fobs","193931","2020-10-21","18:00:00",""
"2242058","9.8592","0.0006","10.6511","0.0006","14.8089","0.0009","90","","102.306","0.007","90","","1519.37","0.16","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^,N^3^,N^5^,N^6^-Tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","","- C32 H28 N10 O4 -","- C32 H28 N10 O4 -","- C64 H56 N20 O8 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","Crystal structures of N^2^,N^3^,N^5^,N^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and N^2^,N^3^,N^5^,N^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide","Acta Crystallographica Section E","2017","73","2","300","305","10.1107/S205698901700127X","","","0.71073","MoKα","","0.0846","0.0508","","","0.1219","0.1338","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","193931","2020-10-21","18:00:00",""
"2242059","11.0318","0.0013","10.4108","0.0013","7.1659","0.0008","90","","96.734","0.01","90","","817.32","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1H-pyrrole-2-carboxylate","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0928","0.0733","","","0.1946","0.2098","","","","","","1.169","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242060","7.8839","0.0004","16.1443","0.0007","10.2058","0.0005","90","","104.472","0.005","90","","1257.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-nitro-1-(4-pentynyl)-1H-pyrrole-2-carboxylate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0588","0.0413","","","0.0885","0.0995","","","","","","1.031","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242061","17.5744","0.0007","11.3718","0.0006","8.7299","0.0004","90","","92.076","0.004","90","","1743.55","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[3-(Dimethylamino)propyl]-1-isopentyl-4-nitro-1H-pyrrole-2-carboxamide","","- C15 H26 N4 O3 -","- C15 H26 N4 O3 -","- C60 H104 N16 O12 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0778","0.0531","","","0.1266","0.1447","","","","","","1.026","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242062","11.2809","0.0004","16.4528","0.0006","12.513","0.0005","90","","106.542","0.004","90","","2226.32","0.15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3-Azidopropyl)-4-(1-methyl-4-nitro-1H-pyrrole-2-carboxamido)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide","","- C20 H27 N9 O5 -","- C20 H27 N9 O5 -","- C80 H108 N36 O20 -","4","1","SU5346","Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.","Four pyrrole derivatives used as building blocks in the synthesis of minor-groove binders","Acta Crystallographica Section E","2017","73","2","254","259","10.1107/S2056989017001177","","","0.71073","MoKα","","0.0882","0.0494","","","0.109","0.1282","","","","","","1.027","","","","has coordinates,has Fobs","193932","2020-10-21","18:00:00",""
"2242063","16.565","0.003","18.474","0.004","14.606","0.003","90","","90","","90","","4469.8","1.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","μ~6~-Chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","","- C29 H24 Cl10 Cu6 N18 O2 -","- C29 H24 Cl10 Cu6 N18 O2 -","- C116 H96 Cl40 Cu24 N72 O8 -","4","0.5","WM5353","Shi, Kaige; Mathivathanan, Logesh; Raptis, Raphael G.","Crystal structure of μ~6~-chlorido-nonakis(μ-4-chloropyrazolato)bis-μ~3~-methoxo-hexacopper(II)","Acta Crystallographica Section E","2017","73","2","266","269","10.1107/S2056989017001189","","","0.71073","MoKα","","0.0533","0.041","","","0.1096","0.119","","","","","","1.078","","","","has coordinates,has Fobs","193933","2020-10-21","18:00:00",""
"2242064","8.925","0.0011","9.7342","0.0012","10.0844","0.0012","66.438","0.005","75.636","0.005","63.585","0.005","716.58","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^N,O:O;κ^3^O:N,O-bis[fac-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","1","0.5","RZ5204","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the cis and trans polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^N,O:O;κ^3^O:N,O-bis[fac-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0393","0.0355","","","0.0858","0.0876","","","","","","1.075","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242065","16.148","0.0007","11.6519","0.0005","15.6329","0.0008","90","","90","","90","","2941.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cis-Bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^N,O:O;κ^3^O:N,O-bis[fac-tricarbonylrhenium(I)]","","- C32 H16 N2 O8 Re2 S2 -","- C32 H16 N2 O8 Re2 S2 -","- C128 H64 N8 O32 Re8 S8 -","4","0.5","","Priyatharsini, Maruthupandiyan; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Srinivasan, Navaneethakrishnan; Krishnakumar, Rajaputi Venkatraman","Crystal structure of the cis and trans polymorphs of bis[μ-2-(1,3-benzothiazol-2-yl)phenolato]-κ^3^N,O:O;κ^3^O:N,O-bis[fac-tricarbonylrhenium(I)]","Acta Crystallographica Section E","2017","73","2","310","313","10.1107/S2056989017001347","","","0.71073","MoKα","","0.0358","0.0269","","","0.0569","0.0601","","","","","","1.071","","","","has coordinates,has Fobs","193934","2020-10-21","18:00:00",""
"2242066","20.1864","0.0013","10.2997","0.0006","23.832","0.002","90","","108.004","0.003","90","","4712.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dinitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) nitrate dimethoxyethane hemisolvate","","- C14 H33 N3 O16 Tb -","- C14 H33 N3 O16 Tb -","- C112 H264 N24 O128 Tb8 -","8","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.029","0.0182","","","0.0341","0.0358","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242067","9.144","0.0006","12.787","0.0007","19.7151","0.0012","90","","101.796","0.002","90","","2256.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aquanitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) dinitrate","","- C12 H30 N3 O16 Tb -","- C12 H30 N3 O16 Tb -","- C48 H120 N12 O64 Tb4 -","4","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.0123","0.012","","","0.0292","0.0294","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242068","8.4125","0.0016","14.492","0.003","7.4679","0.0014","90","","116.053","0.004","90","","817.9","0.3","243","2","243.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","poly[bis(mu2-dicyanoargentato(I))bis(dimethylsulfoxide)iron(II)]","Poly[tetra-μ~2~-cyanido-1:2κ^8^N:C-bis(dimethyl sulfoxide-1κO)diargentate(I)iron(II)]","","- C8 H12 Ag2 Fe N4 O2 S2 -","- C8 H12 Ag2 Fe N4 O2 S2 -","- C16 H24 Ag4 Fe2 N8 O4 S4 -","2","0.5","XU5899","Kucheriv, Olesia I.; Naumova, Dina D.; Tokmenko, Inna I.; Polunin, Ruslan A.; Terebilenko, Kateryna V.","Crystal structure of poly[tetra-μ~2~-cyanido-1:2κ^8^N:C-bis(dimethyl sulfoxide-1κO)diargentate(I)iron(II)]","Acta Crystallographica Section E","2017","73","2","270","272","10.1107/S2056989017001049","","","0.71073","MoKα","","0.0404","0.0312","","","0.0614","0.0708","","","","","","1.162","","","","has coordinates,has Fobs","193936","2020-10-21","18:00:00",""
"2242069","5.7442","0.0001","7.5022","0.0001","14.6644","0.0002","91.496","0.001","95.517","0.001","102.371","0.001","613.708","0.016","100","2","100","","","","","","","","","6","P -1","-P 1","2","","fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^S,S')rhenium(I)","","- C8 H9 N2 O3 Re S2 -","- C8 H9 N2 O3 Re S2 -","- C16 H18 N4 O6 Re2 S4 -","2","1","HB7651","Tan, Sang Loon; Lee, See Mun; Heard, Peter J.; Halcovitch, Nathan R.; Tiekink, Edward R. T.","fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ^2^S,S')rhenium(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","2","213","218","10.1107/S2056989017000755","","","0.71073","MoKα","","0.0165","0.0155","","","0.0349","0.0352","","","","","","1.087","","","","has coordinates,has Fobs","193937","2020-10-21","18:00:00",""
"2242070","11.1342","0.0002","10.233","0.0002","23.399","0.0005","90","","102.724","0.001","90","","2600.52","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Tetralone 4-ethylthiosemicarbazone","N-Ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","","- C13 H17 N3 S -","- C13 H17 N3 S -","- C104 H136 N24 S8 -","8","2","","de Oliveira, Adriano Bof; Beck, Johannes; Landvogt, Christian; de Farias, Renan Lira; Feitoza, Bárbara Regina Santos","Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","2","291","295","10.1107/S2056989017001311","","","0.71073","MoKα","","0.0627","0.0437","","","0.1069","0.1164","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","193938","2020-10-21","18:00:00",""
"2242071","6.2405","0.0004","9.9975","0.0006","20.7815","0.0013","90","","93.097","0.002","90","","1294.65","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Chalcone-Thiophene","(2E)-3-[4-(Dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","RZ5205","de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof","Crystal structure of (2E)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","4","476","480","10.1107/S2056989017003437","","","0.71073","MoKα","","0.0735","0.0676","","","0.1788","0.1823","","","","","","1.141","","","","has coordinates,has Fobs","194088","2020-10-21","18:00:00",""
"2242072","18.2743","0.0012","7.4835","0.0005","19.8021","0.0012","90","","90","","90","","2708.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","1","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.0971","0.0502","","","0.1341","0.161","","","","","","1.081","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242073","18.22","0.002","8.118","0.0012","19.628","0.002","90","","108.761","0.008","90","","2748.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","2","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.122","0.0499","","","0.1204","0.1549","","","","","","0.958","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242074","6.64","0.0005","10.8089","0.0009","12.8818","0.001","103.43","0.007","98.467","0.007","91.912","0.007","887.26","0.13","100","2","100","","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphane sulfide","Tricyclohexyl-λ^5^-phosphanethione","","- C18 H33 P S -","- C18 H33 P S -","- C36 H66 P2 S2 -","2","1","HB7665","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","493","499","10.1107/S205698901700353X","","","0.71073","MoKα","","0.0418","0.0367","","","0.0929","0.0969","","","","","","1.009","","","","has coordinates,has Fobs","194185","2020-10-21","18:00:00",""
"2242075","7.5177","0.0004","9.8339","0.0006","12.1951","0.0007","94.387","0.001","94.552","0.001","91.578","0.001","895.57","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-N-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2Z)-3-carboxyacrylate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and N-R-furfurylamines: crystal structure of 2-methyl-N-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2Z)-3-carboxyacrylate and N-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2Z)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.71073","MoKα","","0.1013","0.053","","","0.1044","0.1215","","","","","","1.004","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242076","5.7501","0.0012","28.272","0.006","9.6402","0.0019","90","","93.17","0.03","90","","1564.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[(5-Iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2Z)-3-carboxyprop-2-enoate","","- C13 H18 I N O5 -","- C13 H18 I N O5 -","- C52 H72 I4 N4 O20 -","4","1","HB7663","Kvyatkovskaya, Elisaveta A.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Interaction between maleic acid and N-R-furfurylamines: crystal structure of 2-methyl-N-[(5-phenylfuran-2-yl)methyl]propan-2-aminium (2Z)-3-carboxyacrylate and N-[(5-iodofuran-2-yl)methyl]-2-methylpropan-2-aminium (2Z)-3-carboxyprop-2-enoate","Acta Crystallographica Section E","2017","73","4","515","519","10.1107/S2056989017003541","","","0.9699","synchrotron","","0.0469","0.04","","","0.0942","0.0998","","","","","","1.019","","","","has coordinates,has Fobs","194252","2020-10-21","18:00:00",""
"2242077","3.871","0.001","6.553","0.001","15.292","0.001","92.773","0.003","94.656","0.003","99.627","0.002","380.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Pigment Red 254","3,6-Bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","- C18 H10 Cl2 N2 O2 -","1","0.5","LH5832","Ivashevskaya, Svetlana N.","Crystal structure of Pigment Red 254 from X-ray powder diffraction data","Acta Crystallographica Section E","2017","73","4","507","510","10.1107/S2056989017003309","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.149","","","","","","","has coordinates,has Fobs","194253","2020-10-21","18:00:00",""
"2242078","7.7529","0.0003","12.0281","0.0004","13.8043","0.0005","90","","97","0.002","90","","1277.69","0.08","100.02","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","0.71073","MoKα","","0.0283","0.0243","","","0.046","0.0471","","","","","","1.16","","","","has coordinates,has Fobs","194254","2020-10-21","18:00:00",""
"2242079","7.7529","","12.0281","","13.8043","","90","","97","","90","","1277.69","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tricaesium citrate monohydrate","Tricaesium citrate monohydrate","","- C6 H7 Cs3 O8 -","- C6 H7 Cs3 O8 -","- C24 H28 Cs12 O32 -","4","1","VN2126","Rammohan, Alagappa; Sarjeant, Amy A.; Kaduk, James A.","Tricaesium citrate monohydrate, Cs~3~C~6~H~5~O~7~·H~2~O: crystal structure and DFT comparison","Acta Crystallographica Section E","2017","73","4","520","523","10.1107/S205698901700367X","","","1.54184","DFTcalculation","","","","","","","","","","","","","","","","","has coordinates","194254","2020-10-21","18:00:00",""
"2242080","23.739","0.003","4.7791","0.0005","18.0722","0.0019","90","","90","","90","","2050.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (4R)-4-(4-methoxybenzoyl)-4-{[(1R)-1-phenylethyl]carbamoyl}butanoate","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","HB7652","Manchado, Alejandro; Salgado, Mateo M.; Vicente, Álvaro; Díez, David; Sanz, Francisca; Garrido, Narciso M.","Crystal structure of methyl (4R)-4-(4-methoxybenzoyl)-4-{[(1R)-1-phenylethyl]carbamoyl}butanoate","Acta Crystallographica Section E","2017","73","4","503","506","10.1107/S2056989017003607","","","1.54178","CuKα","","0.1043","0.0673","","","0.152","0.1633","","","","","","1.249","","","","has coordinates,has Fobs","194255","2020-10-21","18:00:00",""
"2242081","15.6096","0.0004","8.8817","0.0002","15.8973","0.0004","90","","98.601","0.002","90","","2179.21","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z,5Z)-3-(2-Methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","","- C24 H19 N3 O5 S -","- C24 H19 N3 O5 S -","- C96 H76 N12 O20 S4 -","4","1","XU5900","Djafri, Ahmed; Chouaih, Abdelkader; Daran, Jean-Claude; Djafri, Ayada; Hamzaoui, Fodil","Crystal and molecular structure of (2Z,5Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one","Acta Crystallographica Section E","2017","73","4","511","514","10.1107/S2056989017003218","","","0.71073","MoKα","","0.0565","0.0406","","","0.0971","0.1066","","","","","","1.025","","","","has coordinates,has Fobs","194256","2020-10-21","18:00:00",""
"2242082","15.945","0.012","8.765","0.006","16.894","0.013","90","","101.481","0.019","90","","2314","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloridobis[N-(5,5-dimethyl-4,5-dihydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate","","- C16 H32 Cl2 N4 O4 Pd -","- C16 H32 Cl2 N4 O4 Pd -","- C64 H128 Cl8 N16 O16 Pd4 -","4","1","RZ5207","Lasri, Jamal; Eltayeb, Naser Eltaher; Haukka, Matti; Babgi, Bandar A.","Crystal structure of trans-dichloridobis[N-(5,5-dimethyl-4,5-dihydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate","Acta Crystallographica Section E","2017","73","4","528","530","10.1107/S2056989017003929","","","0.71073","MoKα","","0.0447","0.0318","","","0.0648","0.0705","","","","","","1.071","","","","has coordinates,has Fobs","194321","2020-10-21","18:00:00",""
"2242083","19.1513","0.0007","11.1589","0.0004","7.5071","0.0003","90","","92.088","0.001","90","","1603.26","0.1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","","- C16 H10 Cl2 N2 O2 S -","- C16 H10 Cl2 N2 O2 S -","- C64 H40 Cl8 N8 O8 S4 -","4","1","RZ5206","Kumar, Rajesh; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone","Acta Crystallographica Section E","2017","73","4","524","527","10.1107/S2056989017003978","","","0.71073","MoKα","","0.0579","0.0452","","","0.1165","0.132","","","","","","1.118","","","","has coordinates,has Fobs","194322","2020-10-21","18:00:00",""
"2242084","5.4447","0.0007","17.18","0.002","11.7603","0.0019","90","","94.508","0.005","90","","1096.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-phenylisoxazole-3-carboxylate","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate","Acta Crystallographica Section E","2017","73","4","531","534","10.1107/S2056989017003127","","","0.71073","MoKα","","0.1108","0.0636","","","0.1526","0.1772","","","","","","1.087","","","","has coordinates,has Fobs","194323","2020-10-21","18:00:00",""
"2242085","14.3578","0.0004","13.9158","0.0002","13.222","0.0003","90","","114.08","0.003","90","","2411.86","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dicarbonylchlorido(4'-chloro-2,2':6',2''-terpyridine-κ^3^N)ruthenium(II) fac-tricarbonyltrichloridoruthenate(II)]","","- C20 H10 Cl5 N3 O5 Ru2 -","- C20 H10 Cl5 N3 O5 Ru2 -","- C80 H40 Cl20 N12 O20 Ru8 -","4","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0316","0.0244","","","0.0467","0.0499","","","","","","1.063","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242086","7.3019","0.0003","8.508","0.0003","14.7702","0.0006","101.287","0.003","91.835","0.003","98.144","0.003","889.08","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","cis-Dicarbonyl-trans-dichlorido(4'-chloro-2,2':6',2''-terpyridine-κ^2^N^1^,N^1'^)ruthenium(II)","","- C17 H10 Cl3 N3 O2 Ru -","- C17 H10 Cl3 N3 O2 Ru -","- C34 H20 Cl6 N6 O4 Ru2 -","2","1","WM5367","Tatikonda, Rajendhraprasad; Haukka, Matti","Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand","Acta Crystallographica Section E","2017","73","4","556","559","10.1107/S2056989017003917","","","0.71073","MoKα","","0.0352","0.0329","","","0.0856","0.088","","","","","","1.074","","","","has coordinates","194407","2020-10-21","18:00:00",""
"2242087","16.84","0.003","8.6112","0.0016","8.1418","0.0015","90","","103.735","0.002","90","","1146.9","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,5-Dibromophenanthrene","","- C14 H8 Br2 -","- C14 H8 Br2 -","- C56 H32 Br8 -","4","0.5","ZL2696","Kim, Nicholas S.; Thamattoor, Dasan M.","Crystal structure of 4,5-dibromophenanthrene","Acta Crystallographica Section E","2017","73","4","539","542","10.1107/S2056989017003863","","","0.71073","MoKα","","0.0341","0.0298","","","0.0796","0.0832","","","","","","1.057","","","","has coordinates,has Fobs","194408","2020-10-21","18:00:00",""
"2242088","7.7388","0.0005","5.9128","0.0004","15.7769","0.001","90","","96.39","0.002","90","","717.43","0.08","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-4-[4-(Benzyloxy)benzyl]oxazolidine-2,5-dione","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Inada, Aya; Kanazawa, Hitoshi","Crystal structure of (S)-4-[4-(benzyloxy)benzyl]oxazolidine-2,5-dione","Acta Crystallographica Section E","2017","73","4","553","555","10.1107/S2056989017004236","","","0.71075","MoKα","","0.0391","0.0312","","","0.0634","0.0677","","","","","","1.097","","","","has coordinates,has Fobs","194409","2020-10-21","18:00:00",""
"2242089","14.294","0.0011","7.0352","0.0006","11.6043","0.0009","90","","99.437","0.006","90","","1151.15","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Dinitro-[1,1'-biphenyl]-2-amine","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Faizi, Md. Serajul Haque; Haque, Ashanul; Dege, Necmi; Hasan, Syed Imran; Dege, Mustafa; Kalibabchuk, Valentina A.","Crystal structure of 4,4'-dinitro-[1,1'-biphenyl]-2-amine","Acta Crystallographica Section E","2017","73","4","550","552","10.1107/S205698901700408X","","","0.71073","MoKα","","0.1314","0.0398","","","0.0725","0.0924","","","","","","0.812","","","","has coordinates,has Fobs","194410","2020-10-21","18:00:00",""
"2242090","5.672","0.0003","12.6288","0.0007","13.469","0.0008","62.451","0.006","84.441","0.005","88.93","0.005","851","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-Methylbenzyl 2-[(E)-3-phenylallylidene]hydrazinecarbodithioate","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C36 H36 N4 S4 -","2","1","HB7666","Yusof, Enis Nadia Md; Tahir, Mohamed I. M.; Ravoof, Thahira B. S. A.; Tan, Sang Loon; Tiekink, Edward R. T.","A cinnamaldehyde Schiff base of S-(4-methylbenzyl) dithiocarbazate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2017","73","4","543","549","10.1107/S2056989017003991","","","1.5418","CuKα","","0.0404","0.0355","","","0.0937","0.0978","","","","","","1.027","","","","has coordinates,has Fobs","194411","2020-10-21","18:00:00",""
"2242091","17.522","0.003","8.9559","0.0018","8.986","0.0013","90","","90","","90","","1410.1","0.4","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Poly[μ-nitrato-[μ-N-(pyridin-2-ylmethyl-κN)pyrazine-2-\ carboxamide-κN^4^]silver(I)]","","- C11 H10 Ag N5 O4 -","- C11 H10 Ag N5 O4 -","- C44 H40 Ag4 N20 O16 -","4","1","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The silver(I) nitrate complex of the ligand N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide: a metal‒organic framework (MOF) structure","Acta Crystallographica Section E","2017","73","4","535","538","10.1107/S2056989017003930","","","0.71073","MoKα","","0.0523","0.0465","","","0.1195","0.1277","","","","","","1.1","","","","has coordinates,has Fobs","194412","2020-10-21","18:00:00",""
"2242092","8.3663","0.0002","13.0442","0.0004","12.5363","0.0002","90","","103.46","0.002","90","","1330.53","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Butyl-1-chloro-3-methyl-3H-2,1λ^4^-benzoxatellurole","","- C12 H17 Cl O Te -","- C12 H17 Cl O Te -","- C48 H68 Cl4 O4 Te4 -","4","2","HG5483","Zukerman-Schpector, Julio; Cunha, Rodrigo; Omori, Álvaro T.; Sousa Madureira, Lucas; Tiekink, Edward R. T.","1-Butyl-1-chloro-3-methyl-3H-2,1λ^4^-benzoxatellurole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","4","564","568","10.1107/S2056989017003887","","","0.71073","MoKα","","0.0282","0.0274","","","0.0742","0.0755","","","","","","1.016","","","","has coordinates,has Fobs","194502","2020-10-21","18:00:00",""
"2242093","7.4653","0.0007","15.4548","0.0014","12.2095","0.0012","90","","90.073","0.004","90","","1408.7","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-(Ammoniomethyl)pyridinium dihydrogen squarate","2-(Azaniumylmethyl)pyridinium bis(2-hydroxy-3,4-dioxocyclobutanolate)","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C56 H48 N8 O32 -","4","1","SJ5524","Salamzadeh, Nina; Demircioglu, Zeynep; Korkmaz, Ufuk; Büyükgüngör, Orhan","Crystal structure of 2-(azaniumylmethyl)pyridinium bis(hydrogen squarate)","Acta Crystallographica Section E","2017","73","4","586","589","10.1107/S2056989017004376","","","0.71073","MoKα","","0.0486","0.0421","","","0.1089","0.1181","","","","","","1.106","","","","has coordinates,has Fobs","194503","2020-10-21","18:00:00",""
"2242094","9.289","0.004","9.616","0.004","14.474","0.006","90","","90.825","0.004","90","","1292.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-Methyl-2-[1-(2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (E)-N'-[(1H-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (E)-N-methyl-2-[1-(2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.065","0.0479","","","0.1078","0.1156","","","","","","1.103","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242095","9.4692","0.0018","9.9821","0.0019","16.682","0.003","90","","90","","90","","1576.8","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-N'-[(1H-Indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (E)-N'-[(1H-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (E)-N-methyl-2-[1-(2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.0441","0.0433","","","0.1186","0.1194","","","","","","0.98","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242096","4.8211","0.0006","13.776","0.003","7.0113","0.001","90","","98.06","0.03","90","","461.06","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Formamidinium iodide","","- C H5 I N2 -","- C H5 I N2 -","- C4 H20 I4 N8 -","4","1","LH5840","Petrov, Andrey A.; Goodilin, Eugene A.; Tarasov, Alexey B.; Lazarenko, Vladimir A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Formamidinium iodide: crystal structure and phase transitions","Acta Crystallographica Section E","2017","73","4","569","572","10.1107/S205698901700425X","","","0.9699","synchrotron","","0.0402","0.0388","","","0.092","0.093","","","","","","1.061","","","","has coordinates,has Fobs","194505","2020-10-21","18:00:00",""
"2242097","8.3187","0.0003","11.4119","0.0003","12.1012","0.0004","70.437","0.003","73.688","0.003","87.038","0.002","1037.76","0.06","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","trans-(2-Aminopyridine-κN)dichlorido{4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II)","","- C19 H24 Cl2 N2 O4 Pt -","- C19 H24 Cl2 N2 O4 Pt -","- C38 H48 Cl4 N4 O8 Pt2 -","2","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0309","0.0287","","","0.0631","0.0646","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","194506","2020-10-21","18:00:00",""
"2242098","15.1198","0.0005","10.0855","0.0002","14.1855","0.0004","90","","117.329","0.004","90","","1921.72","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-Aminopyridine-κN)chlorido{5-ethoxycarbonylmethoxy-4-methoxy-1-[(2,3-η)-prop-2-en-1-yl]phenyl-κC^1^}platinum(II)","","- C19 H23 Cl N2 O4 Pt -","- C19 H23 Cl N2 O4 Pt -","- C76 H92 Cl4 N8 O16 Pt4 -","4","1","RZ5208","Le Thi Hong, Hai; Nguyen Thu, Thao; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-aminopyridine","Acta Crystallographica Section E","2017","73","4","573","578","10.1107/S2056989017004285","","","0.71073","MoKα","","0.0178","0.0162","","","0.0375","0.0382","","","","","","1.059","","","","has coordinates,has Fobs","194506","2020-10-21","18:00:00",""
"2242099","6.9695","0.0002","8.096","0.0003","10.5316","0.0003","76.468","0.002","73.251","0.002","75.39","0.002","542.23","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Hydrazinium 2-amino-4-nitrobenzoate dihydrate","","- C7 H14 N4 O6 -","- C7 H14 N4 O6 -","- C14 H28 N8 O12 -","2","1","HB7667","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","579","585","10.1107/S2056989017004352","","","0.71073","MoKα","","0.0459","0.0386","","","0.1039","0.1095","","","","","","1.049","","","","has coordinates,has Fobs","194507","2020-10-21","18:00:00",""
"2242100","9.806","0.005","11.264","0.005","17.274","0.005","96.727","0.005","95.859","0.005","108.575","0.005","1776.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(5-tert-Butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazol-3-ium) tetrachloridomercurate(II)","","- C34 H44 Cl4 Hg N4 -","- C34 H44 Cl4 Hg N4 -","- C68 H88 Cl8 Hg2 N8 -","2","1","ZL2697","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Structure of 2,2'-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazol-3-ium) tetrachloridomercurate(II)","Acta Crystallographica Section E","2017","73","4","560","563","10.1107/S2056989017004303","","","1.54178","CuKα","","0.0196","0.0195","","","0.0478","0.0479","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","194510","2020-10-21","18:00:00",""
"2242101","11.276","0.004","11.276","0.004","11.276","0.004","90","","90","","90","","1433.7","0.9","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Antimony-doped germanium","","- Ge0.9375 Sb0.0725 -","- Ge0.9375 Sb0.072625 -","- Ge60 Sb4.648 -","64","0.666667","VN2127","Herrero, Adrian Gómez; Hammoudi, Lamia; Kars, Mohammed; Roisnel, Thierry; Otero-Diáz, L. Carlos","Une surstructure de α-Ge, type diamant, induite par un dopage d'antimoine","Acta Crystallographica Section E","2017","73","5","654","657","10.1107/S2056989017004996","","","0.71073","MoKα","","0.1","0.058","","","0.0823","0.0869","","","","","","1.79","","","","has coordinates,has Fobs","194919","2020-10-21","18:00:00",""
"2242102","6.1917","0.0005","5.5299","0.0005","17.4769","0.0012","90","","99.233","0.007","90","","590.65","0.08","296.85","0.1","296.85","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIDN","3,3'-Biisoxazole-5,5'-bis(methylene) dinitrate","","- C8 H6 N4 O8 -","- C8 H6 N4 O8 -","- C16 H12 N8 O16 -","2","0.5","PK2599","Sausa, Rosario C.; Pesce-Rodriguez, Rose A.; Wingard, Leah A.; Guzmán, Pablo E.; Sabatini, Jesse J.","Crystal structure of 3,3'-biisoxazole-5,5'-bis(methylene) dinitrate (BIDN)","Acta Crystallographica Section E","2017","73","4","644","646","10.1107/S205698901700487X","","","0.71073","MoKα","","0.0488","0.0406","","","0.0985","0.1049","","","","","","1.057","","","","has coordinates","196534","2020-10-21","18:00:00",""
"2242103","5.1628","0.0003","8.1593","0.0003","38.5755","0.0016","90","","90","","90","","1624.99","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophenyl 6-O-ethyl-β-D-galactopyranoside monohydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","ZS2376","Silva, Bruno Leonardo; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Crystal structure of 4-nitrophenyl 6-O-ethyl-β-D-galactopyranoside monohydrate","Acta Crystallographica Section E","2017","73","4","598","601","10.1107/S2056989017004595","","","0.71073","MoKα","","0.0589","0.046","","","0.0988","0.1084","","","","","","1.075","","","","has coordinates","196535","2020-10-21","18:00:00",""
"2242104","21.3157","0.0018","11.9883","0.0008","22.8642","0.0015","90","","103.729","0.002","90","","5675.8","0.7","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{[(4-Iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","","- C15 H16 N3 O3.5 -","- C15 H16 N3 O3.5 -","- C240 H256 N48 O56 -","16","2","SJ5531","Chidan Kumar, C. S.; Sim, Ai Jia; Ng, Weng Zhun; Chia, Tze Shyang; Loh, Wan-Sin; Kwong, Huey Chong; Quah, Ching Kheng; Naveen, S.; Lokanath, N. K.; Warad, Ismail","The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate","Acta Crystallographica, Section E","2017","73","7","927","931","10.1107/S2056989017007836","","","0.71073","MoKα","","0.0714","0.0465","","","0.1191","0.1362","","","","","","1.037","","","","has coordinates","198755","2020-10-21","18:00:00",""
"2242105","11.8226","0.0016","6.6305","0.0009","13.3557","0.0019","90","","114.531","0.003","90","","952.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepine","","- C11 H12 N2 -","- C11 H12 N2 -","- C44 H48 N8 -","4","1","HB7662","Nieto, Carla I.; Claramunt, Rosa M.; Torralba, M. Carmen; Torres, M. Rosario; Elguero, Jose","Crystal structure of (1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepine","Acta Crystallographica, Section E","2017","73","5","647","650","10.1107/S2056989017004972","","","0.71073","MoKα","","0.1238","0.0514","","","0.1204","0.1457","","","","","","0.993","","","","has coordinates","198756","2020-10-21","18:00:00",""
"2242106","8.2363","0.0001","12.702","0.0002","11.4038","0.0001","90","","110.391","0.002","90","","1118.28","0.03","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trans-Dichloridobis(dimethyl sulfoxide-κO)bis(4-fluorobenzyl-κC^1^)tin(IV)","","- C18 H24 Cl2 F2 O2 S2 Sn -","- C18 H24 Cl2 F2 O2 S2 Sn -","- C36 H48 Cl4 F4 O4 S4 Sn2 -","2","0.5","WM5381","Nur Adibah Binti Mohd Amin; Rusnah Syahila Duali Hussen; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","trans-Dichloridobis(dimethyl sulfoxide-κO)bis(4-fluorobenzyl-κC^1^)tin(IV): crystal structure and Hirshfeld surface analysis","Acta Crystallographica, Section E","2017","73","5","667","672","10.1107/S2056989017005072","","","1.54184","CuKα","","0.0182","0.0176","","","0.0458","0.0462","","","","","","1.078","","","","has coordinates","198757","2020-10-21","18:00:00",""
"2242107","7.9989","0.0003","8.0659","0.0003","14.6533","0.0005","104.52","0.001","98.422","0.001","98.909","0.001","887.04","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C36 H40 N4 O14 -","2","1","HB7681","Soto-Monsalve, Mónica; Romero, Elkin L.; Zuluaga, Fabio; Chaur, Manuel N.; D'Vries, Richard F.","(E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","8","1197","1201","10.1107/S2056989017010374","","","0.71073","MoKα","","0.047","0.0425","","","0.125","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","198827","2020-10-21","18:00:00",""
"2242108","15.3879","0.0002","17.8733","0.0005","22.2895","0.0006","90","","90","","90","","6130.3","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Bis(tetra-n-butylammonium) bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)oxalatomolybdate(IV)‒chloroform‒oxalic acid (1/1/1),","","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C180 H300 Cl12 F48 Mo4 N8 O32 S16 -","4","1","ZL2708","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.0895","0.048","","","0.0898","0.105","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242109","14.2347","0.0015","19.494","0.0019","14.4056","0.0014","90","","103.159","0.005","90","","3892.5","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(tetra-n-butylammonium) μ-oxalato-bis[bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)molybdate(IV)]","","- C50 H72 F24 Mo2 N2 O4 S8 -","- C50 H72 F24 Mo2 N2 O4 S8 -","- C100 H144 F48 Mo4 N4 O8 S16 -","2","0.5","","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.122","0.0652","","","0.1382","0.164","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242110","7.759","0.003","8.733","0.004","19.904","0.007","91.087","0.016","90.593","0.017","113.241","0.015","1238.8","0.9","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","4-Methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1)","","- C29 H30 N2 O6 -","- C29 H30 N2 O6 -","- C58 H60 N4 O12 -","2","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0513","0.0404","","","0.1026","0.1055","","","","","","1.069","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242111","18.354","0.006","7.4166","0.0016","16.674","0.005","90","","104.943","0.012","90","","2193","1.1","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of 4-methoxybenzoic acid‒1,3-bis(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-dicarboxylic acid‒4-methoxypyridine (1/2)","Acta Crystallographica Section E","2017","73","8","1192","1196","10.1107/S2056989017010167","","","0.71075","MoKα","","0.0453","0.0377","","","0.1033","0.1075","","","","","","1.056","","","","has coordinates,has Fobs","198829","2020-10-21","18:00:00",""
"2242112","6.044","0.0001","32.6938","0.0006","10.5679","0.0002","90","","92.266","0.002","90","","2086.6","0.07","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-tert-Butyl-2,3-dihydro-1H-benzo[c]pyrrol-1-one","","- C12 H15 N O -","- C12 H15 N O -","- C96 H120 N8 O8 -","8","2","ZS2383","Donkeng Dazie, Joel; Ludvík, Jiří; Fábry, Jan; Eigner, Václav","Crystal structure of 2-tert-butyl-2,3-dihydro-1H-benzo[c]pyrrol-1-one","Acta Crystallographica Section E","2017","73","8","1184","1188","10.1107/S2056989017010337","","","1.54184","CuKα","","0.0372","0.0318","","","0.0812","0.0832","","","","","","2.13","","","","has coordinates,has Fobs","198830","2020-10-21","18:00:00",""
"2242113","8.7344","0.0008","9.5967","0.0009","36.41","0.003","90","","90","","90","","3051.9","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(Pyren-1-yl)-1H-benzimidazole","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, S.","Crystal structure and DFT study of 2-(pyren-1-yl)-1H-benzimidazole","Acta Crystallographica Section E","2017","73","8","1180","1183","10.1107/S2056989017010271","","","0.71073","MoKα","","0.0941","0.049","","","0.097","0.1127","","","","","","1.027","","","","has coordinates,has Fobs","198831","2020-10-21","18:00:00",""
"2242114","9.1505","0.0016","11.2712","0.0019","16.379","0.003","90","","103.997","0.006","90","","1639.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","rac-2,3-Diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide","rac-2,3-Diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C80 H60 N4 O8 S4 -","4","1","ZS2384","Yennawar, Hemant P.; Fox, Ryan; Moyer, Quentin J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide","Acta Crystallographica Section E","2017","73","8","1189","1191","10.1107/S2056989017010313","","","0.71073","MoKα","","0.097","0.09","","","0.2268","0.2308","","","","","","1.652","","","","has coordinates,has Fobs","198832","2020-10-21","18:00:00",""
"2242115","15.569","0.003","16.994","0.003","17.035","0.003","111.56","0.03","114.71","0.03","96.3","0.03","3618","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate","","- C44.5 H40 N8 O4.5 Zn -","- C42.5 H40 N8 O4.5 Zn -","- C170 H160 N32 O18 Zn4 -","4","2","WM5401","Burlov, Anatoliy S.; Vlasenko, Valery G.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structure of bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction","Acta Crystallographica Section E","2017","73","8","1208","1212","10.1107/S2056989017010441","","","0.9699","synchrotron","","0.0674","0.0516","","","0.1365","0.1524","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","198833","2020-10-21","18:00:00",""
"2242116","10.336","0.003","9.171","0.003","11.87","0.003","90","","100.656","0.005","90","","1105.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl (5-chloropenta-2,4-diyn-1-yl)carbamate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0544","0.0361","","","0.0812","0.0892","","","","","","1.059","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242117","11.1587","0.0016","9.0288","0.0013","12.9899","0.0018","90","","108.731","0.002","90","","1239.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl (5-iodopenta-2,4-diyn-1-yl)carbamate","","- C10 H12 I N O2 -","- C10 H12 I N O2 -","- C40 H48 I4 N4 O8 -","4","1","MW2133","Baillargeon, Pierre; Rahem, Tarik; Caron-Duval, Édouard; Tremblay, Jacob; Fortin, Cloé; Blais, Étienne; Fan, Victor; Fortin, Daniel; Dory, Yves L.","Isomorphous crystal structures of chlorodiacetylene and iododiacetylene derivatives: simultaneous hydrogen and halogen bonds on carbonyl","Acta Crystallographica Section E","2017","73","8","1175","1179","10.1107/S2056989017010155","","","0.71073","MoKα","","0.0245","0.0219","","","0.053","0.0542","","","","","","1.076","","","","has coordinates,has Fobs","198834","2020-10-21","18:00:00",""
"2242118","5.8266","0.0006","38.743","0.004","7.5613","0.0007","90","","103.257","0.003","90","","1661.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(4-Bromobutoxy)phenyl]-3-phenylprop-2-en-1-one","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (E)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (E)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (E)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0578","0.0372","","","0.1108","0.1247","","","","","","0.996","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242119","5.7331","0.0003","41.732","0.002","7.6476","0.0004","90","","101.767","0.002","90","","1791.27","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(4-Bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H21 Br O3 -","- C20 H21 Br O3 -","- C80 H84 Br4 O12 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (E)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (E)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (E)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0579","0.0413","","","0.0986","0.1046","","","","","","1.071","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242120","9.4765","0.0004","26.0984","0.0012","7.8666","0.0004","90","","91.427","0.002","90","","1944.98","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-[4-(4-Bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C84 H92 Br4 O16 -","4","1","RZ5217","Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan","Crystal structures of three 1-[4-(4-bromobutoxy)phenyl] chalcone derivatives: (E)-1-[4-(4-bromobutoxy)phenyl]-3-phenylprop-2-en-1-one, (E)-1-[4-(4-bromobutoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one and (E)-1-[4-(4-bromobutoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2017","73","8","1232","1236","10.1107/S2056989017010052","","","0.71073","MoKα","","0.0644","0.0348","","","0.095","0.1114","","","","","","1.017","","","","has coordinates,has Fobs","198915","2020-10-21","18:00:00",""
"2242121","9.6467","0.0009","18.408","0.001","7.8076","0.0006","90","","102.071","0.008","90","","1355.79","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","HB7690","Zukerman-Schpector, Julio; Sugiyama, Fabricia H.; Garcia, Ariel L. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","8","1218","1222","10.1107/S2056989017009987","","","0.71073","MoKα","","0.1214","0.0491","","","0.1206","0.1472","","","","","","0.995","","","","has coordinates,has Fobs","198916","2020-10-21","18:00:00",""
"2242122","3.7565","0.0008","8.7002","0.0017","18.35","0.004","90","","90","","90","","599.7","0.2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Chloropyridine-2,3-diamine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","FY2122","Sulovari, Aron; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine","Acta Crystallographica Section E","2017","73","8","1213","1217","10.1107/S2056989017010489","","","0.71073","MoKα","","0.062","0.0414","","","0.0774","0.0843","","","","","","1.067","","","","has coordinates,has Fobs","198917","2020-10-21","18:00:00",""
"2242123","6.3121","0.0001","10.5611","0.0002","7.9925","0.0002","90","","112.126","0.003","90","","493.57","0.02","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol","","- C10 H18 O2 -","- C10 H18 O2 -","- C20 H36 O4 -","2","1","HG5490","Collis, Gavin E.; Unterweger, Birgit; Dumsday, Geoff J.; Forsyth, Craig M.","Structural elucidation of a hydroxy‒cineole product obtained from cytochrome P450 monooxygenase CYP101J2 catalysed transformation of 1,8-cineole","Acta Crystallographica Section E","2017","73","8","1242","1245","10.1107/S2056989017010015","","","1.54184","CuKα","","0.0294","0.0291","","","0.0755","0.0759","","","","","","1.045","","","","has coordinates,has Fobs","198918","2020-10-21","18:00:00",""
"2242124","7.27709","0.00007","7.32686","0.00006","25.5179","0.0002","90","","90","","90","","1360.57","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilenin","3-Hydroxy-13-methyl-11,12,13,14,15,16-hexahydrocyclopenta[a]phenanthren-17-one","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","SU5383","Frampton, Christopher S.; MacNicol, David D.","Structure of Equilenin at 100K: an estrone-related steroid","Acta Crystallographica Section E","2017","73","8","1223","1226","10.1107/S2056989017010532","","","1.54184","CuKα","","0.0293","0.0292","","","0.0802","0.0804","","","","","","1.008","","","","has coordinates,has Fobs","198919","2020-10-21","18:00:00",""
"2242125","9.8658","0.001","5.0979","0.0004","19.551","0.002","90","","96.033","0.008","90","","977.87","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Ethane-1,2-diyl)bis(2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine)","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","0.5","SJ5529","Rivera, Augusto; Cepeda-Santamaría, Juan E.; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 2,2'-(ethane-1,2-diyl)bis(2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine): a prospective raw material for polybenzoxazines","Acta Crystallographica Section E","2017","73","6","832","834","10.1107/S2056989017006673","","","0.71073","MoKα","","0.1138","0.0625","","","0.1126","0.1299","","","","","","0.939","","","","has coordinates,has Fobs","199105","2020-10-21","18:00:00",""
"2242126","7.206","0.002","7.206","0.002","18.653","0.011","90","","90","","120","","838.8","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B18 Ba8.35 O36 Pb0.65 -","- B18 Ba8.352 O36 Pb0.648 -","- B18 Ba8.352 O36 Pb0.648 -","1","0.0555556","","Zhao, Wenwu","Crystal structure of the solid solution Ba~8.35~Pb~0.65~(B~3~O~6~)~6~","Acta Crystallographica Section E","2017","73","3","349","353","10.1107/S2056989017001864","","","0.71073","MoKα","","0.0199","0.019","","","0.0471","0.0475","","","","","","1.23","","","","has coordinates","199106","2020-10-21","18:00:00",""
"2242127","8.3465","0.0002","10.9783","0.0003","14.6583","0.0004","90","","101.056","0.001","90","","1318.22","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-Oxours-12-ene-27a,28-dioic acid","","- C30 H44 O5 -","- C30 H44 O5 -","- C60 H88 O10 -","2","1","RZ5213","Bankeu Kezetas, Jean Jules; Dietagoum Madjouka, Stéphanie; Kumar, Rajesh; Ali, Muhammad Shaiq; Lenta Njakou, Bruno; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid)","Acta Crystallographica Section E","2017","73","5","763","766","10.1107/S2056989017006077","","","1.54178","CuKα","","0.0421","0.0414","","","0.1144","0.1152","","","","","","1.055","","","","has coordinates,has Fobs","199107","2020-10-21","18:00:00",""
"2242128","8.3074","0.0004","11.1871","0.0005","11.7693","0.0006","102.384","0.002","91.106","0.002","109.581","0.002","1001.6","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","rac-6'-Bromo-3'-diethylamino-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C48 H40 Br2 N2 O6 -","2","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","1.54178","CuKα","","0.0493","0.0448","","","0.1182","0.124","","","","","","1.028","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242129","11.0772","0.0006","13.0582","0.0008","13.8966","0.0008","90","","90","","90","","2010.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S)-6'-Bromo-3'-diethylamino-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0299","0.0259","","","0.0569","0.0576","","","","","","0.985","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242130","8.1529","0.0013","18.185","0.003","26.86","0.004","90","","90","","90","","3982.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R)-6'-Bromo-3'-diethylamino-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C192 H160 Br8 N8 O24 -","8","2","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0778","0.0445","","","0.0848","0.0934","","","","","","0.968","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242131","5.8494","0.0004","12.6458","0.0008","9.5658","0.0006","90","","104.763","0.002","90","","684.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-Methyl (R,E)-4-[(2R,4R)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C20 H28 Cl6 N2 O10 -","2","1","SU5377","Oishi, Takeshi; Kidena, Mayu; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-methyl (R,E)-4-[(2R,4R)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate","Acta Crystallographica Section E","2017","73","7","983","986","10.1107/S2056989017008283","","","0.71073","MoKα","","0.0332","0.03","","","0.0573","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","199109","2020-10-21","18:00:00",""
"2242132","7.5555","0.0003","13.0278","0.0007","9.7397","0.0005","90","","91.767","0.002","90","","958.24","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","","- C9 H9 Cl N2 O -","- C9 H9 Cl N2 O -","- C36 H36 Cl4 N8 O4 -","4","1","ZQ2237","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Crystal structure of 2-chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine","Acta Crystallographica Section E","2017","73","8","1172","1174","10.1107/S2056989017010027","","","0.71073","MoKα","","0.0308","0.0272","","","0.0719","0.0738","","","","","","1.074","","","","has coordinates,has Fobs","199110","2020-10-21","18:00:00",""
"2242133","6.715","0.0013","13.504","0.003","16.757","0.003","90","","90","","90","","1519.5","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Benzyl-8-bromo-2-methyl[1,3]oxazolo[4,5-c]-1,8-naphthyridin-4(5H)-one","","- C17 H12 Br N3 O2 -","- C17 H12 Br N3 O2 -","- C68 H48 Br4 N12 O8 -","4","1","RZ5210","Vrijdag, Johannes; Van den Bogaert, An; De Borggraeve, Wim; Van Meervelt, Luc","Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one","Acta Crystallographica Section E","2017","73","5","687","690","10.1107/S2056989017005023","","","0.71073","MoKα","","0.0375","0.0274","","","0.0644","0.0687","","","","","","1.156","","","","has coordinates,has Fobs","199111","2020-10-21","18:00:00",""
"2242134","8.6885","0.0007","7.9478","0.0006","15.3417","0.001","90","","103.908","0.002","90","","1028.35","0.13","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","Naltrexone chloride ethanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride ethanol monosolvate","","- C22 H30 Cl N O5 -","- C22 H30 Cl N O5 -","- C44 H60 Cl2 N2 O10 -","2","1","JJ2196","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0531","0.0381","","","0.0769","0.0824","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242135","8.0297","0.001","15.5449","0.0017","17.56","0.004","90","","90","","90","","2191.9","0.6","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","naltrexone chloride i-propanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride propan-2-ol monosolvate","","- C23 H32 Cl N O5 -","- C23 H32 Cl N O5 -","- C92 H128 Cl4 N4 O20 -","4","1","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0632","0.0454","","","0.1052","0.1124","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242136","8.8487","0.0004","17.3281","0.0009","15.5702","0.0008","90","","92.702","0.002","90","","2384.7","0.2","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","naltrexone chloride t-butanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride 2-methylpropan-2-ol monosolvate","","- C24 H34 Cl N O5 -","- C24 H34 Cl N O5 -","- C96 H136 Cl4 N4 O20 -","4","2","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","1.54178","CuKα","","0.0387","0.0332","","","0.0763","0.0791","","","","","","1.044","","","","has coordinates,has Fobs","199113","2020-10-21","18:00:00",""
"2242137","8.3436","0.0004","9.7591","0.0005","10.8815","0.0006","97.905","0.004","98.142","0.004","101.576","0.004","846.59","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N'-[2-(Benzo[d]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S2 -","- C32 H30 N6 O6 S4 -","2","1","HG5489","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of N'-[2-(benzo[d]thiazol-2-yl)acetyl]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2017","73","7","1041","1043","10.1107/S2056989017008738","","","0.71073","MoKα","","0.0361","0.0308","","","0.0757","0.0791","","","","","","1.051","","","","has coordinates,has Fobs","199114","2020-10-21","18:00:00",""
"2242138","9.4104","0.0004","12.835","0.0004","13.0774","0.0005","90","","104.198","0.004","90","","1531.27","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Cyano-3,3-bis(ethylthio)-N-o-tolylacrylamide","2-Cyano-3,3-bis(ethylsulfanyl)-N-(2-methylphenyl)prop-2-enamide","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C60 H72 N8 O4 S8 -","4","1","HG5488","Azzam, Rasha A.; Elgemeie, Galal H.; Ramadan, Rokia; Jones, Peter G.","Crystal structure of 2-cyano-3,3-bis(ethylsulfanyl)-N-o-tolylacrylamide","Acta Crystallographica Section E","2017","73","5","752","754","10.1107/S2056989017005783","","","0.71073","MoKα","","0.0444","0.0339","","","0.076","0.0807","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","199115","2020-10-21","18:00:00",""
"2242139","7.7463","0.0015","13.235","0.003","25.642","0.005","90","","90","","90","","2628.9","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluorocytosinium picrate","","- C10 H7 F N6 O8 -","- C10 H7 F N6 O8 -","- C80 H56 F8 N48 O64 -","8","1","ZS2375","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate","Acta Crystallographica Section E","2017","73","3","361","364","10.1107/S205698901700216X","","","0.71073","MoKα","","0.0696","0.0582","","","0.1571","0.1738","","","","","","1.087","","","","has coordinates,has Fobs","199116","2020-10-21","18:00:00",""
"2242140","11.23","0.003","17.204","0.005","18.11","0.006","90","","103.248","0.007","90","","3405.8","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","(bztmpen)Ni","(Acetonitrile-κN){N-benzyl-N,N',N'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)","","- C32 H38 B2 F8 N6 Ni -","- C32 H38 B2 F8 N6 Ni -","- C128 H152 B8 F32 N24 Ni4 -","4","1","VN2128","Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge","Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is N-benzyl-N,N',N'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","6","825","828","10.1107/S2056989017006764","","","0.71073","MoKα","","0.0358","0.0346","","","0.0899","0.0918","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199117","2020-10-21","18:00:00",""
"2242141","4.8722","0.0004","12.0436","0.001","21.9803","0.0016","90","","96.353","0.008","90","","1281.86","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-Methylthiazol-2-yl)-4-oxo-4H-chromene-3-carboxamide","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of N-(5-methylthiazol-2-yl)-4-oxo-4H-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71073","MoKα","","0.1513","0.0973","","","0.2024","0.2225","","","","","","1.13","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242142","7.4646","0.0005","30.626","0.002","11.0869","0.0008","90","","93.232","0.002","90","","2530.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C112 H80 N16 O24 S8 -","8","2","HB7689","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda","Polymorphism in the structure of N-(5-methylthiazol-2-yl)-4-oxo-4H-chromene-3-carboxamide","Acta Crystallographica Section E","2017","73","8","1154","1161","10.1107/S2056989017009902","","","0.71075","MoKα","","0.1101","0.0598","","","0.1308","0.1532","","","","","","1.078","","","","has coordinates,has Fobs","199118","2020-10-21","18:00:00",""
"2242143","8.0769","0.0009","5.6076","0.0007","18.3724","0.0018","90","","100.781","0.012","90","","817.44","0.16","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^2^,N^5^-Bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0583","0.0316","","","0.0702","0.0756","","","","","","0.866","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242144","8.7271","0.0005","5.295","0.0004","20.1403","0.0013","90","","99.834","0.006","90","","917.01","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Dimethyl-N^2^,N^5^-bis(pyridin-2-ylmethyl)pyrazine-2,5-dicarboxamide","","- C20 H20 N6 O2 -","- C20 H20 N6 O2 -","- C40 H40 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","1.54186","CuKα","","0.0393","0.0354","","","0.0915","0.0946","","","","","","1.051","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242145","5.8663","0.0006","18.7539","0.0017","7.2943","0.0008","90","","101.606","0.012","90","","786.08","0.14","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^2^,N^5^-Bis(pyridin-4-ylmethyl)pyrazine-2,5-dicarboxamide","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C36 H32 N12 O4 -","2","0.5","","Cati, Dilovan S.; Stoeckli-Evans, Helen","The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures","Acta Crystallographica Section E","2017","73","5","729","734","10.1107/S2056989017005898","","","0.71073","MoKα","","0.0439","0.036","","","0.0941","0.0973","","","","","","1.081","","","","has coordinates,has Fobs","199119","2020-10-21","18:00:00",""
"2242146","12.5899","0.0005","17.5691","0.0006","11.898","0.0005","90","","101.326","0.004","90","","2580.51","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(piperidin-1-ium) sulfate‒1,3-dimethylthiourea (1/2)","","- C16 H40 N6 O4 S3 -","- C16 H40 N6 O4 S3 -","- C64 H160 N24 O16 S12 -","4","0.5","HG5484","Döring, Cindy; Lueck, Julian F. D.; Jones, Peter G.","Crystal structure of the 1:2 adduct of bis(piperidinium) sulfate and 1,3-dimethylthiourea","Acta Crystallographica Section E","2017","73","5","651","653","10.1107/S2056989017004820","","","1.54184","CuKα","","0.0435","0.0341","","","0.0791","0.0836","","","","","","1.028","","","","has coordinates,has Fobs","199120","2020-10-21","18:00:00",""
"2242147","12.734","0.003","10.685","0.003","15.498","0.005","90","","112.83","0.02","90","","1943.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trisodium rubidium heptamagnesium hexakis(orthophosphate)","","- Mg7 Na3 O24 P6 Rb -","- Mg7 Na3 O24 P6 Rb -","- Mg28 Na12 O96 P24 Rb4 -","4","0.5","BR2264","Ben Hamed, Teycir; Boukhris, Amal; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of a new magnesium phosphate Na~3~RbMg~7~(PO~4~)~6~","Acta Crystallographica Section E","2017","73","6","817","820","10.1107/S2056989017006363","","","0.71073","MoKα","","0.0469","0.036","","","0.0951","0.1003","","","","","","1.071","","","","has coordinates,has Fobs","199122","2020-10-21","18:00:00",""
"2242148","8.546","0.003","9.137","0.003","13.662","0.004","90","","95.984","0.006","90","","1061","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","HG5485","Faizi, Md. Serajul Haque; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of 8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbaldehyde","Acta Crystallographica Section E","2017","73","5","791","794","10.1107/S2056989017005886","","","0.71073","MoKα","","0.0846","0.066","","","0.1878","0.2305","","","","","","1.106","","","","has coordinates,has Fobs","199123","2020-10-21","18:00:00",""
"2242149","10.428","0.002","13.961","0.002","15.49","0.002","90","","94.671","0.003","90","","2247.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-Tetraazoniacyclotetradecane bis(dichromate) monohydrate","","- C10 H30 Cr4 N4 O15 -","- C10 H30 Cr4 N4 O15 -","- C40 H120 Cr16 N16 O60 -","4","1","WM5385","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data","Acta Crystallographica Section E","2017","73","5","755","758","10.1107/S2056989017005771","","","0.61","synchrotron","","0.0434","0.0382","","","0.1201","0.1237","","","","","","1.085","","","","has coordinates,has Fobs","199124","2020-10-21","18:00:00",""
"2242150","10.5351","0.0004","19.1686","0.0007","22.1162","0.0008","90","","102.778","0.004","90","","4355.6","0.3","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyrimethanil Form 2","4,6-Dimethyl-N-phenylpyrimidin-2-amine","","- C12 H13 N3 -","- C12 H13 N3 -","- C192 H208 N48 -","16","4","HB7679","Eberlin, Alex R.; Frampton, Christopher S.","A metastable polymorphic form of the antifungal anilinopyrimidine active pyrimethanil","Acta Crystallographica Section E","2017","73","6","886","889","10.1107/S2056989017007563","","","0.71073","MoKα","","0.1123","0.056","","","0.1174","0.1494","","","","","","1.001","","","","has coordinates,has Fobs","199125","2020-10-21","18:00:00",""
"2242151","24.1434","0.0009","10.5348","0.0004","8.9006","0.0004","90","","93.042","0.002","90","","2260.64","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2-Hydroxy-1,2-diphenylethan-1-one oxime","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","WM5397","Reuter, Hans; Okio, Coco K. Y. A.","Crystal structure of (E)-2-hydroxy-1,2-diphenylethan-1-one oxime","Acta Crystallographica Section E","2017","73","7","1062","1065","10.1107/S2056989017008866","","","0.71073","MoKα","","0.0416","0.0358","","","0.084","0.0876","","","","","","1.076","","","","has coordinates,has Fobs","199126","2020-10-21","18:00:00",""
"2242152","8.387","0.0017","10.275","0.002","14.115","0.003","87.2","0.03","77.83","0.03","72.31","0.03","1132.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9,20-Dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate","","- C21 H44 N4 O2 -","- C21 H44 N4 O2 -","- C42 H88 N8 O4 -","2","1","WM5364","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0^2,7^.0^13,18^]tricosane dihydrate from synchrotron X-ray data","Acta Crystallographica Section E","2017","73","3","387","389","10.1107/S2056989017002444","","","0.61","synchrotron","","0.0812","0.0468","","","0.1117","0.1233","","","","","","0.919","","","","has coordinates,has Fobs","199127","2020-10-21","18:00:00",""
"2242153","10.3126","0.0003","13.1138","0.0003","6.4405","0.0002","90","","90","","90","","871","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Calcium dinickel(II) iron(III) tris(orthophosphate)","","- Ca Fe Ni2 O12 P3 -","- Ca Fe Ni2 O12 P3 -","- Ca4 Fe4 Ni8 O48 P12 -","4","0.25","WM5390","Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of calcium dinickel(II) iron(III) tris(orthophosphate): CaNi~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","893","895","10.1107/S2056989017007411","","","0.71073","MoKα","","0.0169","0.0166","","","0.0442","0.0443","","","","","","1.167","","","","has coordinates,has Fobs","199128","2020-10-21","18:00:00",""
"2242154","7.282","0.001","18.445","0.003","9.144","0.002","90","","96.11","0.03","90","","1221.2","0.4","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetrahydroseselin","8,8-Dimethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-2-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","ZS2379","Bauri, A. K.; Foro, S.; Rahman, A. F. M. M.","Crystal structure of tetrahydroseselin, an angular pyranocoumarin","Acta Crystallographica Section E","2017","73","8","1117","1120","10.1107/S205698901700932X","","","1.5418","CuKα","","0.0675","0.0577","","","0.1445","0.1513","","","","","","1.057","","","","has coordinates,has Fobs","199129","2020-10-21","18:00:00",""
"2242155","3.7436","0.0003","34.146","0.003","10.7528","0.0009","90","","94.799","0.008","90","","1369.7","0.2","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Pyridin-3-ylethynyl)-2,2'-bipyridine","","- C17 H11 N3 -","- C17 H11 N3 -","- C68 H44 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0924","0.0828","","","0.2025","0.2083","","","","","","1.146","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242156","9.6951","0.0006","12.0142","0.0007","12.0376","0.0009","90","","109.552","0.008","90","","1321.28","0.16","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(Indol-4-yl)-2,2'-bipyridine","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0437","0.0375","","","0.0905","0.0947","","","","","","1.056","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242157","9.8697","0.0007","12.604","0.0007","22.8414","0.0013","90","","97.89","0.006","90","","2814.5","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-Methylphenylethynyl)-2,2'-bipyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C152 H112 N16 -","8","2","ZS2378","Luong Thi Thu, Thuy; Nguyen Bich, Ngan; Nguyen, Hien; Van Meervelt, Luc","Crystal structures of three 4-substituted-2,2'-bipyridines synthesized by Sonogashira and Suzuki‒Miyaura cross-coupling reactions","Acta Crystallographica Section E","2017","73","4","610","615","10.1107/S2056989017004662","","","0.71073","MoKα","","0.0898","0.0542","","","0.1275","0.1458","","","","","","1.044","","","","has coordinates,has Fobs","199130","2020-10-21","18:00:00",""
"2242158","12.9905","0.0018","12.9905","0.0018","29.942","0.006","90","","90","","90","","5052.8","1.4","298","","298","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(S)-4-Acetamido-2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]isoindoline-1,3-dione ethanol hemisolvate hemihydrate","","- C23 H28 N2 O8 S -","- C23 H28 N2 O8 S -","- C184 H224 N16 O64 S8 -","8","1","WM5386","Wu, Yun-Deng; Liu, Xiao-Hong; Xu, Jian; Zhang, Si-Han; Shen, Kun; Sun, Ling; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","Crystal structure of an apremilast ethanol hemisolvate hemihydrate solvatomorph","Acta Crystallographica Section E","2017","73","6","821","824","10.1107/S2056989017006661","","","0.71073","MoKα","","0.1141","0.0661","","","0.1545","0.1831","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","199131","2020-10-21","18:00:00",""
"2242159","7.3885","0.0009","8.072","0.001","9.2976","0.0013","69.039","0.012","89.498","0.01","75.915","0.01","500.37","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(1H-Benzotriazol-1-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","ZL2702","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.0807","","","","","","1.106","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242160","5.5961","0.0011","9.3462","0.0019","10.472","0.002","109.83","0.03","90.93","0.03","97.14","0.03","510.2","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","3-(2H-Benzotriazol-2-yl)-2-methylpropanamide","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.04","0.0369","","","0.0852","0.0869","","","","","","1.085","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242161","7.1732","0.0006","7.9945","0.0006","9.5912","0.0007","83.91","0.006","86.247","0.006","81.528","0.006","540.25","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","3-(1H-Benzotriazol-1-yl)-N,N-dimethylpropanamide","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C22 H28 N8 O2 -","2","1","","Amenta, Donna S.; Liebing, Phil; Biero, Julia E.; Sherman, Robert J.; Gilje, John W.; Edelmann, Frank T.","Synthesis and crystal structures of three new benzotriazolylpropanamides","Acta Crystallographica Section E","2017","73","6","880","885","10.1107/S2056989017007472","","","0.71073","MoKα","","0.056","0.0465","","","0.1244","0.1305","","","","","","1.031","","","","has coordinates,has Fobs","199132","2020-10-21","18:00:00",""
"2242162","11.9144","0.0016","8.3755","0.0012","30.382","0.004","90","","90","","90","","3031.8","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Bromophenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}- 1-ethanone","","- C15 H10 Br N3 O2 S -","- C15 H10 Br N3 O2 S -","- C120 H80 Br8 N24 O16 S8 -","8","1","HB7660","Bano, Huma; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one","Acta Crystallographica Section E","2017","73","4","623","626","10.1107/S2056989017004819","","","0.71073","MoKα","","0.053","0.0354","","","0.093","0.1139","","","","","","1.133","","","","has coordinates,has Fobs","199133","2020-10-21","18:00:00",""
"2242163","13.2227","0.0005","17.7311","0.0006","24.0242","0.0009","79.6276","0.0012","81.2551","0.0012","89.3481","0.0012","5475.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-bis(1-{[4-(dimethylamino)phenyl]imino-κN}ethyl)pyridine-κN]nickel dichloride‒dichloromethane‒water (1/2/2)","","- C52 H66 Cl6 N10 Ni O2 -","- C52 H66 Cl6 N10 Ni O2 -","- C208 H264 Cl24 N40 Ni4 O8 -","4","2","WM5402","Matthews, Morgan; Sendzik, Madison; Bruggeman, Adrienne; Kearns, Claire; Oliver, Allen G.; Babbini, Dominic C.","Synthesis and crystal structure of a disubstituted nickel(II) bis[(dimethylaminophenylimino)ethyl]pyridine chloride complex","Acta Crystallographica Section E","2017","73","8","1167","1171","10.1107/S2056989017010088","","","0.71073","MoKα","","0.0717","0.0446","","","0.1042","0.1149","","","","","","1.039","","","","has coordinates,has Fobs","199134","2020-10-21","18:00:00",""
"2242164","40.2728","0.0008","6.9679","0.0001","16.0119","0.0003","90","","92.588","0.001","90","","4488.63","0.14","210","2","210","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,4'-Bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","","- C28 H32 N2 -","- C28 H32 N2 -","- C224 H256 N16 -","8","1","SJ5530","Walbaum, Anqi; Fifer, E. Kim; Parkin, Sean; Crooks, Peter A.","Crystal structure of 4,4'-bis[3-(piperidin-1-yl)prop-1-yn-1-yl]-1,1'-biphenyl","Acta Crystallographica Section E","2017","73","6","864","866","10.1107/S2056989017007277","","","1.54178","CuKα","","0.0419","0.038","","","0.114","0.12","","","","","","1.075","","","","has coordinates,has Fobs","199135","2020-10-21","18:00:00",""
"2242165","20.2686","0.0003","7.58016","0.00011","12.6109","0.0002","90","","107.6","0.0017","90","","1846.83","0.05","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-Benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","LH5838","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2017","73","4","602","605","10.1107/S2056989017004601","","","1.54184","CuKα","","0.0375","0.0341","","","0.089","0.0919","","","","","","1.049","","","","has coordinates,has Fobs","199136","2020-10-21","18:00:00",""
"2242166","6.5899","0.0002","17.6467","0.0004","8.5106","0.0002","90","","90","","90","","989.7","0.04","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Barium dimanganese(II) iron(III) tris(orthophosphate)","","- Ba Fe Mn2 O12 P3 -","- Ba Fe Mn2 O12 P3 -","- Ba4 Fe4 Mn8 O48 P12 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (M = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0221","0.0175","","","0.0423","0.0439","","","","","","1.052","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242167","6.4304","0.0003","17.8462","0.0007","8.4906","0.0003","90","","90","","90","","974.37","0.07","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Strontium dimanganese(II) iron(III) tris(orthophosphate)","","- Fe Mn2 O12 P3 Sr -","- Fe Mn2 O12 P3 Sr -","- Fe4 Mn8 O48 P12 Sr4 -","4","0.5","WM5384","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structures of two alkaline earth (M = Ba and Sr) dimanganese(II) iron(III) tris(orthophosphates)","Acta Crystallographica Section E","2017","73","5","767","770","10.1107/S2056989017006120","","","0.71073","MoKα","","0.0252","0.0208","","","0.0466","0.0479","","","","","","1.081","","","","has coordinates,has Fobs","199137","2020-10-21","18:00:00",""
"2242168","15.1154","0.0005","8.7269","0.0003","16.1675","0.0006","90","","108.156","0.001","90","","2026.48","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1-Dimethylhydrazinium tetraphoshonoatotrizincate(II)","","- C4 H22 N4 O12 P4 Zn3 -","- C4 H22 N4 O12 P4 Zn3 -","- C16 H88 N16 O48 P16 Zn12 -","4","0.5","SJ5526","Katinaitė, Judita; Harrison, William T. A.","The crystal structure of (C~2~H~9~N~2~)~2~[Zn~3~(HPO~3~)~4~], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation","Acta Crystallographica Section E","2017","73","5","759","762","10.1107/S2056989017005758","","","0.71073","MoKα","","0.0792","0.0679","","","0.1964","0.2392","","","","","","1.215","","","","has coordinates,has Fobs","199138","2020-10-21","18:00:00",""
"2242169","11.8581","0.0002","28.5087","0.0004","12.0272","0.0002","90","","104.934","0.0017","90","","3928.57","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido[1-(4-nitrophenyl)thiourea-κS]\ bis(triphenylphosphane-κP)silver(I)","","- C43 H37 Ag Cl N3 O2 P2 S -","- C43 H37 Ag Cl N3 O2 P2 S -","- C172 H148 Ag4 Cl4 N12 O8 P8 S4 -","4","1","LH5841","Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Wattanakanjana, Yupa","Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κS]bis(triphenylphosphane-κP)silver(I)","Acta Crystallographica Section E","2017","73","6","829","831","10.1107/S2056989017006405","","","1.54178","CuKα","","0.0272","0.0268","","","0.067","0.0675","","","","","","1.075","","","","has coordinates,has Fobs","199139","2020-10-21","18:00:00",""
"2242170","6.2584","0.0001","10.1734","0.0002","18.7183","0.0003","90","","90","","90","","1191.78","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(5-Chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Kickofel, Lisliane; de Farias, Renan Lira; de Oliveira, Adriano Bof","Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","5","702","707","10.1107/S2056989017005461","","","0.71073","MoKα","","0.021","0.0204","","","0.0556","0.0563","","","","","","1.049","","","","has coordinates,has Fobs","199140","2020-10-21","18:00:00",""
"2242171","10.3489","0.0006","14.3664","0.0008","21.4619","0.0013","90","","90","","90","","3190.9","0.3","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","({(1R,2R)-N^1^,N^2^-Bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","","- C27 H29 Cl7 Fe2 N4 O -","- C27 H29 Cl7 Fe2 N4 O -","- C108 H116 Cl28 Fe8 N16 O4 -","4","1","HB7682","Swift, Hannah; Carrig, Molly W.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of ({(1R,2R)-N,N'-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","Acta Crystallographica Section E","2017","73","7","936","940","10.1107/S2056989017007952","","","0.71073","MoKα","","0.0502","0.0369","","","0.0768","0.0816","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","199141","2020-10-21","18:00:00",""
"2242172","4.2713","0.0006","35.792","0.005","5.9516","0.0009","90","","93.326","0.002","90","","908.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(1E,1'E)-1,1'-(Pyridine-2,6-diyl)bis[N-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","","- C21 H9 F10 N3 -","- C21 H9 F10 N3 -","- C42 H18 F20 N6 -","2","0.5","SU5374","Boyle, Jenna; Breakfield, Catherine; Buck, Leah; McMahon, Catherine; Babbini, Dominic C.","Crystal structure of (1E,1'E)-1,1'-(pyridine-2,6-diyl)bis[N-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]","Acta Crystallographica Section E","2017","73","7","954","956","10.1107/S2056989017008040","","","0.71073","MoKα","","0.0397","0.0335","","","0.0826","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","199142","2020-10-21","18:00:00",""
"2242173","8.59","0.0017","10.45","0.002","20.67","0.004","90","","98.45","0.03","90","","1835.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-b]indole-2,3-dicarboxylate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","HB7645","Nguyen, Van Tuyen; Sorokina, Elena A.; Listratova, Anna V.; Voskressensky, Leonid G.; Lobanov, Nikolai N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Ring-expansion synthesis and crystal structure of dimethyl 4-ethyl-1,4,5,6,7,8-hexahydroazonino[5,6-b]indole-2,3-dicarboxylate","Acta Crystallographica Section E","2017","73","3","338","340","10.1107/S205698901700161X","","","0.9699","synchrotron","","0.0619","0.0458","","","0.1104","0.1221","","","","","","1.006","","","","has coordinates,has Fobs","199143","2020-10-21","18:00:00",""
"2242174","17.2445","0.0006","14.1398","0.0005","19.6452","0.0007","90","","93.3307","0.0012","90","","4782.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(T(N-18C6)PP)]","(5-{3-[(1,4,7,10,13-Pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}- 10,15,20-triphenylporphyrinato)cobalt(II)","","- C57 H52 Co N6 O6 -","- C57 H52 Co N6 O6 -","- C228 H208 Co4 N24 O24 -","4","1","QM2115","Wu, Qi; He, Mingrui; Li, Jianfeng","Crystal structure of (5-{3-[(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)carbonylamino]phenyl}-10,15,20-triphenylporphyrinato)cobalt(II)","Acta Crystallographica Section E","2017","73","7","963","966","10.1107/S2056989017007745","","","0.71073","MoKα","","0.0565","0.0429","","","0.0988","0.1057","","","","","","1.056","","","","has coordinates,has Fobs","199144","2020-10-21","18:00:00",""
"2242175","9.1456","0.001","10.586","0.0008","19.974","0.002","90","","97.11","0.009","90","","1918.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-Bis{(E)-[4-(dimethylamino)benzylidene]amino}propan-2-ol","","- C21 H28 N4 O -","- C21 H28 N4 O -","- C84 H112 N16 O4 -","4","2","SJ5528","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","1,3-Bis{(E)-[4-(dimethylamino)benzylidene]amino}propan-2-ol: chain structure formation via an O—H···N hydrogen bond","Acta Crystallographica Section E","2017","73","6","813","816","10.1107/S2056989017006429","","","0.71073","MoKα","","0.1216","0.0634","","","0.1322","0.1555","","","","","","0.93","","","","has coordinates,has Fobs","199145","2020-10-21","18:00:00",""
"2242176","9.514","0.002","9.87","0.003","9.883","0.003","64.609","0.006","87.539","0.007","86.66","0.007","836.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triphenylphosphoniummethylenetrifluoroborate","","- C19 H17 B F3 P -","- C19 H17 B F3 P -","- C38 H34 B2 F6 P2 -","2","1","LH5846","Bateman, Christopher M.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure of triphenylphosphoniummethylenetrifluoroborate","Acta Crystallographica Section E","2017","73","8","1140","1142","10.1107/S2056989017009884","","","0.71073","MoKα","","0.0758","0.0405","","","0.0827","0.0941","","","","","","1.023","","","","has coordinates,has Fobs","199146","2020-10-21","18:00:00",""
"2242177","7.1123","0.0002","7.7841","0.0002","13.3011","0.0005","87.604","0.003","84.299","0.003","72.447","0.003","698.57","0.04","100","2","100","","","","","","","","","5","P -1","-P 1","2","N'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate","N'-[(1E)-1-(5-Bromo-2-hydroxyphenyl)ethylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C28 H28 Br2 N6 O6 -","2","1","HB7669","Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","N'-[1-(5-Bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","4","630","636","10.1107/S2056989017004790","","","1.54184","CuKα","","0.0276","0.0268","","","0.0722","0.073","","","","","","1.059","","","","has coordinates,has Fobs","199147","2020-10-21","18:00:00",""
"2242178","18.4079","0.0007","14.0001","0.0005","19.9387","0.0007","90","","106.531","0.001","90","","4926.1","0.3","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","","- C22 H30 Cl2 Cu N4 O8 -","- C22 H30 Cl2 Cu N4 O8 -","- C176 H240 Cl16 Cu8 N32 O64 -","8","2","ZL2706","Yang, Guang; Rybak-Akimova, Elena V.; Campana, Charles","{1,1'-Bis[(pyridin-2-yl)methyl]-2,2'-bipiperidyl}(perchlorato)copper(II) perchlorate","Acta Crystallographica Section E","2017","73","7","1082","1086","10.1107/S2056989017009410","","","0.71073","MoKα","","0.0614","0.0378","","","0.0825","0.0909","","","","","","1.035","","","","has coordinates,has Fobs","199148","2020-10-21","18:00:00",""
"2242179","5.7011","0.0004","15.4836","0.001","16.2128","0.001","90","","90","","90","","1431.16","0.16","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-4-Amino-N'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","ZS2381","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (E)-4-amino-N'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2017","73","7","1029","1032","10.1107/S205698901700857X","","","0.71073","MoKα","","0.0616","0.0453","","","0.123","0.1413","","","","","","1.048","","","","has coordinates,has Fobs","199149","2020-10-21","18:00:00",""
"2242180","16.0002","0.0003","19.389","0.0002","19.1631","0.0003","90","","100.073","0.0018","90","","5853.3","0.16","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-methanolato)-μ~3~-oxido-tris[(E)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III) perchlorate‒dichloromethane‒diethyl ether (1/1.096/0.906)","","- C49.71 H56.23 Cl6.19 Mn3 N6 O11.9 -","- C49.7122 H56.2324 Cl6.1924 Mn3 N6 O11.904 -","- C198.849 H224.93 Cl24.7696 Mn12 N24 O47.616 -","4","1","ZL2705","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Tris(μ~2~-methanolato)-μ~3~-oxido-tris{[(E)-4-chloro-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]manganese(III)} perchlorate‒dichloromethane‒diethyl ether (1/1.1/0.9)","Acta Crystallographica Section E","2017","73","8","1113","1116","10.1107/S2056989017008982","","","0.71073","MoKα","","0.1258","0.0707","","","0.1433","0.1664","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","199150","2020-10-21","18:00:00",""
"2242181","5.4143","0.0002","5.4176","0.0002","11.92","0.0005","90","","90.977","0.001","90","","349.59","0.02","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4S,5R,6S)-4,5,6-Trihydroxy-3-methylcyclohex-2-enone","","- C7 H10 O4 -","- C7 H10 O4 -","- C14 H20 O8 -","2","1","RZ5209","Tibhe, Gaurao D.; Macías, Mario A.; Pandolfi, Enrique; Schapiro, Valeria; Suescun, Leopoldo","Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)","Acta Crystallographica Section E","2017","73","4","606","609","10.1107/S2056989017004509","","","1.54178","CuKα","","0.0333","0.033","","","0.0874","0.0877","","","","","","1.079","","","","has coordinates,has Fobs","199151","2020-10-21","18:00:00",""
"2242182","11.872","0.003","15.165","0.004","5.6079","0.0011","90","","91.41","0.02","90","","1009.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hydroxy-phenyl-acetic acid isopropyl ester","Isopropyl 2-hydroxy-2-phenylacetate","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Isaiev, Ivan; Shishkina, Svitlana; Ukrainets, Igor; Bevz, Elena","Crystal structure of isopropyl 2-hydroxy-2-phenylacetate: a pharmacopoeia reference standard","Acta Crystallographica Section E","2017","73","5","771","773","10.1107/S2056989017005862","","","0.71073","MoKα","","0.1599","0.09","","","0.2243","0.2545","","","","","","1.033","","","","has coordinates,has Fobs","199152","2020-10-21","18:00:00",""
"2242183","7.1975","0.001","11.448","0.002","9.645","0.002","90","","96.39","0.03","90","","789.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione","2,4-Bis(dimethylamino)-1,3-diethyl-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-dithione","","- C8 H22 N4 P2 S2 -","- C8 H22 N4 P2 S2 -","- C16 H44 N8 P4 S4 -","2","0.5","PK2598","Issaoui, Chokri; Chebbi, Hammouda; Alouani, Khaled; Guesmi, Abderrahmen","Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe~2~]~2~","Acta Crystallographica Section E","2017","73","5","682","686","10.1107/S2056989017005187","","","0.71073","MoKα","","0.0479","0.0405","","","0.1194","0.1267","","","","","","1.084","","","","has coordinates,has Fobs","199153","2020-10-21","18:00:00",""
"2242184","30.6365","0.0016","5.0149","0.0003","8.9393","0.0005","90","","93.98","0.003","90","","1370.11","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-Didecylpyromellitic diimide","2,6-Didecylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","0.5","","Im, Hansu; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of N,N'-didecylpyromellitic diimide","Acta Crystallographica Section E","2017","73","6","838","841","10.1107/S2056989017006867","","","0.71073","MoKα","","0.0461","0.0409","","","0.1098","0.1133","","","","","","1.092","","","","has coordinates,has Fobs","199154","2020-10-21","18:00:00",""
"2242185","8.9901","0.0005","12.0059","0.0007","14.957","0.0009","90","","91.719","0.003","90","","1613.65","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) tetrachloridocuprate(II)","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C32 H96 Cl16 Cu4 N8 -","4","1","IS5469","Seck, Gorgui Awa; Diop, Libasse; Oliver, Allen G.","Crystal structure of the monoclinic phase (phase IV) of bis(tetramethylammonium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2017","73","3","358","360","10.1107/S2056989017002146","","","0.71073","MoKα","","0.0988","0.0657","","","0.1309","0.1408","","","","","","1.117","","","","has coordinates,has Fobs","199155","2020-10-21","18:00:00",""
"2242186","7.119","0.001","8.519","0.001","13.366","0.002","105.34","0.02","90.45","0.01","103.38","0.02","758.4","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","Dibromo Methoxy Seselin (DBMS)","rac-(9S,10R)-3,9-Dibromo-10-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2(8H)-one","","- C15 H14 Br2 O4 -","- C15 H14 Br2 O4 -","- C30 H28 Br4 O8 -","2","1","LH5842","Bauri, A. K.; Foro, Sabine; Rahman, A. F. M. M.","Crystal structure of dibromomethoxyseselin (DBMS), a photobiologically active pyranocoumarin","Acta Crystallographica Section E","2017","73","5","774","776","10.1107/S2056989017006132","","","0.71073","MoKα","","0.0535","0.0347","","","0.1024","0.1162","","","","","","0.849","","","","has coordinates,has Fobs","199156","2020-10-21","18:00:00",""
"2242187","9.6205","0.0003","10.8252","0.0003","11.5073","0.0003","97.836","0.002","102.72","0.002","95.047","0.002","1149.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","","- C9 H8 N2 O2 S3 -","- C9 H8 N2 O2 S3 -","- C36 H32 N8 O8 S12 -","4","2","HB7673","Vu Quoc, Trung; Nguyen Ngoc, Linh; Nguyen Tien, Cong; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide","Acta Crystallographica Section E","2017","73","6","901","904","10.1107/S2056989017007629","","","0.71073","MoKα","","0.0453","0.0318","","","0.0711","0.077","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","199157","2020-10-21","18:00:00",""
"2242188","7.3036","0.001","7.2045","0.001","14.009","0.002","90","","94.736","0.004","90","","734.62","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluoroisatin-3-oxime","(3Z)-5-Fluoro-3-(hydroxyimino)indolin-2-one","","- C8 H5 F N2 O2 -","- C8 H5 F N2 O2 -","- C32 H20 F4 N8 O8 -","4","1","RZ5215","Martins, Bianca Barreto; Bresolin, Leandro; de Farias, Renan Lira; de Oliveira, Adriano Bof; Gervini, Vanessa Carratu","Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3Z)-5-fluoro-3-(hydroxyimino)indolin-2-one","Acta Crystallographica Section E","2017","73","7","987","992","10.1107/S2056989017008301","","","0.71073","MoKα","","0.0567","0.0404","","","0.0963","0.1082","","","","","","1.053","","","","has coordinates,has Fobs","199158","2020-10-21","18:00:00",""
"2242189","7.8555","0.0003","10.2748","0.0005","14.939","0.0007","90","","92.397","0.002","90","","1204.73","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(3-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H10 F N3 O2 -","- C13 H10 F N3 O2 -","- C52 H40 F4 N12 O8 -","4","1","SU5379","Jiajaroen, Suwadee; Chainok, Kittipong; Kielar, Filip","Crystal structure of (E)-N'-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2017","73","8","1151","1153","10.1107/S2056989017009926","","","0.71073","MoKα","","0.0623","0.0378","","","0.0885","0.1001","","","","","","1.043","","","","has coordinates,has Fobs","199159","2020-10-21","18:00:00",""
"2242190","9.8002","0.0004","10.6791","0.0005","10.6986","0.0004","111.364","0.004","102.346","0.003","111.311","0.004","890.75","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","1-(2-Hydroxybenzyl)-2-(2-hydroxyphenyl)-1H-benzimidazol-3-ium chloride","","- C20 H17 Cl N2 O2 -","- C20 H17 Cl N2 O2 -","- C40 H34 Cl2 N4 O4 -","2","1","YK2108","Khan, Tuhin; Mishra, Navneet; Mhatre, Darshan S.; Datta, Anindya","Crystal structure and UV spectra of a 1,2-disubstituted benzimidazolium chloride","Acta Crystallographica Section E","2017","73","8","1143","1147","10.1107/S205698901700977X","","","0.71073","MoKα","","0.0492","0.0392","","","0.0971","0.1048","","","","","","1.044","","","","has coordinates,has Fobs","199160","2020-10-21","18:00:00",""
"2242191","13.2246","0.001","10.304","0.0008","11.7402","0.0009","90","","101.703","0.001","90","","1566.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Aminopyridinium 1'-carboxyferrocene-1-carboxylate","","- C17 H16 Fe N2 O4 -","- C17 H16 Fe N2 O4 -","- C68 H64 Fe4 N8 O16 -","4","1","WM5388","Medved'ko, Aleksei V.; Churakov, Andrei V.; Yu, Haojie; Li, Wang; Vatsadze, Sergey Z.","Crystal structure of 3-aminopyridinium 1'-carboxyferrocene-1-carboxylate","Acta Crystallographica Section E","2017","73","6","856","858","10.1107/S2056989017007058","","","0.71073","MoKα","","0.0366","0.0271","","","0.0676","0.0726","","","","","","1.026","","","","has coordinates,has Fobs","199161","2020-10-21","18:00:00",""
"2242192","8.7203","0.0012","20.124","0.003","19.526","0.003","90","","100.405","0.002","90","","3370.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-(N-{2-[2,6-bis(propan-2-yl)phenylimino]pentan-3-ylidene}-\ 2,6-bis(propan-2-yl)aniline)dichloridopalladium(II) 1,2-dichloroethane monosolvate","","- C31 H46 Cl4 N2 Pd -","- C31 H46 Cl4 N2 Pd -","- C124 H184 Cl16 N8 Pd4 -","4","1","NK2238","Ellandula, Shravan Kumar; Opoku Amoako, Cosmos; Mague, Joel T.; Chandrasekaran, Perumalreddy","Crystal structure of unsymmetrical α-diimine palladium(II) complex cis-[{ArN=C(Me)‒(Et)C=NAr}PdCl~2~] [Ar = 2,6-(iPr)~2~C~6~H~3~]","Acta Crystallographica Section E","2017","73","8","1148","1150","10.1107/S2056989017009616","","","0.71073","MoKα","","0.0526","0.0362","","","0.0763","0.0841","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","199162","2020-10-21","18:00:00",""
"2242193","6.364","0.0017","9.627","0.003","6.8627","0.0018","90","","101.805","0.004","90","","411.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis[(1H-tetrazol-5-yl)methyl]nitramide","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C8 H12 N20 O4 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1H-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1H-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.042","0.0362","","","0.0965","0.1022","","","","","","1.144","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242194","6.5312","0.0011","12.682","0.002","16.183","0.003","90","","97.118","0.003","90","","1330.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaminoguanidinium 5-({[(1H-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide","","- C5 H14 N16 O2 -","- C5 H14 N16 O2 -","- C20 H56 N64 O8 -","4","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1H-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1H-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0541","0.037","","","0.0841","0.0932","","","","","","0.996","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242195","7.5893","0.0011","7.6077","0.0011","11.2319","0.0015","85.564","0.004","85.555","0.004","65.007","0.004","585.29","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","","- C4 H14 N12 O3 -","- C4 H14 N12 O3 -","- C8 H28 N24 O6 -","2","1","LH5843","Mitchell, Lauren A.; Imler, Gregory H.; Parrish, Damon A.; Deschamps, Jeffrey R.; Leonard, Philip W.; Chavez, David E.","Crystal structures of the three closely related compounds: bis[(1H-tetrazol-5-yl)methyl]nitramide, triaminoguanidinium 5-({[(1H-tetrazol-5-yl)methyl](nitro)amino}methyl)tetrazol-1-ide, and diammonium bis[(tetrazol-1-id-5-yl)methyl]nitramide monohydrate","Acta Crystallographica Section E","2017","73","7","1056","1061","10.1107/S2056989017008817","","","0.71073","MoKα","","0.0373","0.0359","","","0.1042","0.1056","","","","","","1.115","","","","has coordinates,has Fobs","199163","2020-10-21","18:00:00",""
"2242196","10.9732","0.0002","19.4127","0.0003","22.1186","0.0002","114.172","0.0011","90.2641","0.0014","92.5256","0.0013","4293.07","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[1,2-Bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-triangulo-triruthenium","","- C46 H37 O7 P3 Ru3 -","- C46 H37 O7 P3 Ru3 -","- C184 H148 O28 P12 Ru12 -","4","2","IS5476","Kakizawa, Taeko","Crystal structure of [1,2-bis(diphenylphosphanyl)benzene]heptacarbonyldi-μ-hydrido-(μ~3~-2,4,6-trimethylphenylphosphinidene)-triangulo-triruthenium","Acta Crystallographica Section E","2017","73","7","945","948","10.1107/S2056989017007770","","","0.71069","MoKα","","0.0659","0.0571","","","0.1385","0.1461","","","","","","1.146","","","","has coordinates,has Fobs","199164","2020-10-21","18:00:00",""
"2242197","8.2223","0.0003","14.1546","0.0005","12.7933","0.0004","90","","91.188","0.001","90","","1488.61","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-Dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.058","0.0572","","","0.16","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242198","8.4817","0.0015","8.6149","0.0015","12.167","0.002","109.875","0.005","91.9","0.005","114.19","0.005","747.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,5-Dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C28 H26 Cl4 N2 O4 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.1489","0.074","","","0.2218","0.2325","","","","","","1.018","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242199","12.2268","0.0006","7.0399","0.0003","17.313","0.0008","90","","100.409","0.001","90","","1465.7","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2017","73","5","673","677","10.1107/S2056989017005230","","","1.54178","CuKα","","0.0578","0.0575","","","0.1517","0.1521","","","","","","0.993","","","","has coordinates,has Fobs","199165","2020-10-21","18:00:00",""
"2242200","10.351","0.007","11.894","0.008","19.07","0.013","76.33","0.01","88.582","0.012","67.077","0.011","2095","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(furan-2-yl)-2,2':6',2''-terpyridine]nickel(II) dichloride decahydrate","","- C38 H46 Cl2 N6 Ni O12 -","- C38 H46 Cl2 N6 Ni O12 -","- C76 H92 Cl4 N12 Ni2 O24 -","2","1","LH5845","Fu, Wei-Wei; Li, Ya-Qian; Liu, Yang; Chen, Man-Sheng; Li, Wei; Yang, Ying-Qun","An infinite two-dimensional hybrid water‒chloride network in a 4'-(furan-2-yl)-2,2':6',2''-terpyridine nickel(II) matrix","Acta Crystallographica Section E","2017","73","6","871","875","10.1107/S2056989017007095","","","0.71073","MoKα","","0.0714","0.0499","","","0.1314","0.1439","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199168","2020-10-21","18:00:00",""
"2242201","5.6993","0.0007","12.0762","0.0013","16.6839","0.0019","90","","90","","90","","1148.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzoic acid‒L-proline (1/1)","Benzoic acid‒pyrrolidin-1-ium-2-carboxylate (1/1)","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","LH5828","Chesna, Aaron M.; Cox, Jordan M.; Basso, Sanjukta; Benedict, Jason B.","Hydrogen-bonded co-crystal structure of benzoic acid and zwitterionic L-proline","Acta Crystallographica Section E","2017","73","3","369","371","10.1107/S2056989017001785","","","0.71073","MoKα","","0.0611","0.0433","","","0.0806","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","199169","2020-10-21","18:00:00",""
"2242202","9.5008","0.0015","13.22","0.002","13.584","0.002","90","","90","","90","","1706.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[taxodione]","(4bS)-4-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-3,9-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","XU5903","Ke, Rui-Fang; Xu, Shi-Cheng; Song, Ping; Deng, Shi-Hao; Ma, Xin-Hua; Yang, Xin-Zhou","Crystal structure of taxodione isolated from Taxodium ascendens (B.)","Acta Crystallographica Section E","2017","73","7","1102","1104","10.1107/S205698901700946X","","","0.71073","MoKα","","0.0389","0.0343","","","0.0839","0.0875","","","","","","1.051","","","","has coordinates,has Fobs","199170","2020-10-21","18:00:00",""
"2242203","19.984","0.003","6.6328","0.0011","20.14","0.003","90","","106.818","0.002","90","","2555.4","0.7","104","2","104","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","","- C26 H38 Cl N2 O P -","- C26 H38 Cl N2 O P -","- C104 H152 Cl4 N8 O4 P4 -","4","1","HB7671","Veinot, Alex J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure of 2-chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-oxide","Acta Crystallographica Section E","2017","73","5","735","737","10.1107/S2056989017005825","","","0.71073","MoKα","","0.068","0.0432","","","0.0965","0.1086","","","","","","1.04","","","","has coordinates,has Fobs","199171","2020-10-21","18:00:00",""
"2242204","9.8262","0.0005","13.4434","0.0007","9.4251","0.0008","90","","109.897","0.002","90","","1170.71","0.13","115","","115","","","","","","","","","3","C 1 c 1","C -2yc","9","","2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","SU5360","Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène","Crystal structure of the diglycidyl ether of eugenol","Acta Crystallographica Section E","2017","73","5","694","697","10.1107/S2056989017005370","","","0.71073","MoKα","","0.0456","0.0439","","","0.1191","0.1208","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","199172","2020-10-21","18:00:00",""
"2242205","11.4321","0.0017","6.6263","0.001","12.4819","0.0019","90","","110.788","0.003","90","","884","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,9-Dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0655","0.0618","","","0.1812","0.1839","","","","","","1.059","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242206","12.8058","0.0006","11.485","0.0006","6.9058","0.0003","90","","90","","90","","1015.67","0.08","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,7-Diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","0.5","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0539","0.0425","","","0.1114","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242207","7.7876","0.0005","19.4656","0.0012","21.7879","0.0013","90","","90","","90","","3302.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C136 H152 N24 O40 -","8","1","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0992","0.0509","","","0.1015","0.1243","","","","","","1.01","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242208","9.50481","0.00018","13.3872","0.0002","20.3322","0.0004","90","","93.0955","0.0019","90","","2583.35","0.08","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[dichloridomercury(II)]-μ-2,2'-(2-bromo-5-tert-butyl-1,3-phenylene)bis(1-methyl-1H-benzimidazole)-κ^2^N^3^:N^3'^]","","- C26 H25 Br Cl2 Hg N4 -","- C26 H25 Br Cl2 Hg N4 -","- C104 H100 Br4 Cl8 Hg4 N16 -","4","1","ZL2694","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of the mercury chloride complex of 2,2'-(2-bromo-5-tert-butyl-1,3-phenylene)bis(1-methyl-1H-benzimidazole)","Acta Crystallographica Section E","2017","73","3","341","344","10.1107/S2056989017001888","","","1.54184","CuKα","","0.0438","0.0376","","","0.098","0.1039","","","","","","1.074","","","","has coordinates,has Fobs","199174","2020-10-21","18:00:00",""
"2242209","6.9774","0.0005","6.8273","0.0005","19.4895","0.0014","90","","95.804","0.003","90","","923.66","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","FF2148","Elkin, Igor; Maris, Thierry; Hildgen, Patrice","Synthesis and characterization of 3-methyl-6-[(propynyloxy)methyl]-1,4-dioxane-2,5-dione","Acta Crystallographica Section E","2017","73","7","1044","1047","10.1107/S2056989017008581","","","1.34139","GaKα","","0.0773","0.063","","","0.168","0.1831","","","","","","1.046","","","","has coordinates,has Fobs","199175","2020-10-21","18:00:00",""
"2242210","11.0758","0.0008","12.4989","0.0011","14.2425","0.0013","98.088","0.003","96.537","0.003","102.151","0.003","1887.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","(E)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","2","FF2149","Al-Rubaye, Baidaa K.; Brink, Alice; Miller, Gary J.; Potgieter, Herman; Al-Jeboori, Mohamad J.","Crystal structure of (E)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine","Acta Crystallographica Section E","2017","73","7","1092","1096","10.1107/S2056989017009537","","","0.71073","MoKα","","0.0808","0.0489","","","0.113","0.1312","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","199176","2020-10-21","18:00:00",""
"2242211","14.807","0.003","5.8216","0.0012","4.0217","0.0009","90","","104.321","0.005","90","","335.9","0.12","270","","270","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","0.5","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0452","0.0291","","","0.0608","0.0658","","","","","","1.26","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242212","14.945","0.003","5.8212","0.0009","3.9699","0.0006","89.343","0.004","104.096","0.004","92.748","0.009","334.59","0.1","200","","200","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C H O3 Rb -","- C H O3 Rb -","- C4 H4 O12 Rb4 -","4","","PK2601","Larvor, Carla; Stöger, Berthold","The phase transition of rubidium hydrogen carbonate, RbHCO~3~","Acta Crystallographica Section E","2017","73","7","975","979","10.1107/S2056989017008271","","","0.71073","MoKα","","0.0466","0.0375","","","0.0733","0.075","","","","","","1.5","","","","has coordinates,has Fobs","199177","2020-10-21","18:00:00",""
"2242213","14.3568","0.0008","27.0628","0.0013","5.5212","0.0002","90","","90","","90","","2145.18","0.18","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","catena-Poly[[[bis(ethylenediamine)platinum(II)]-μ-bromido-[bis(ethylenediamine)platinum(IV)]-μ-bromido] tetrakis(2-bromoethanesulfonate) dihydrate]","","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C16 H52 Br6 N8 O14 Pt2 S4 -","- C32 H104 Br12 N16 O28 Pt4 S8 -","2","0.5","WM5394","Matsushita, Nobuyuki; Taira, Ayako; Taoka, Yoshiya","A one-dimensional bromide-bridged Pt^II^/Pt^IV^ mixed-valence complex with a 2-bromoethanesulfonate counter-ion","Acta Crystallographica Section E","2017","73","8","1108","1112","10.1107/S2056989017009598","","","0.71069","MoKα","","0.0654","0.0424","","","0.0941","0.1026","","","","","","1.03","","","","has coordinates,has Fobs","199178","2020-10-21","18:00:00",""
"2242214","10.0148","0.0012","17.343","0.002","15.627","0.0019","90","","105.948","0.002","90","","2609.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","","- C26 H38 N5 P -","- C26 H38 N5 P -","- C104 H152 N20 P4 -","4","1","HB7680","Veinot, Alex J.; Blair, Amber D.; Masuda, Jason D.","Crystal structure of 2-azido-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine","Acta Crystallographica Section E","2017","73","6","905","907","10.1107/S2056989017007642","","","0.71073","MoKα","","0.065","0.0462","","","0.1123","0.1232","","","","","","1.023","","","","has coordinates,has Fobs","199179","2020-10-21","18:00:00",""
"2242215","21.613","0.004","3.8867","0.0004","25.081","0.005","90","","115.37","0.02","90","","1903.7","0.6","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-hydroxyquinoline-2-carboxamide monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","XU5902","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Iryna V.; Shyshkina, Svitlana V.","Crystal structure of N-hydroxyquinoline-2-carboxamide monohydrate","Acta Crystallographica Section E","2017","73","5","795","797","10.1107/S2056989017005618","","","0.71073","MoKα","","0.075","0.0395","","","0.0851","0.0979","","","","","","0.969","","","","has coordinates,has Fobs","199180","2020-10-21","18:00:00",""
"2242216","7.9147","0.0005","16.2171","0.0011","22.5254","0.0016","90","","90","","90","","2891.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4H-chromen-4-one","","- C17 H11 F3 O4 -","- C17 H11 F3 O4 -","- C136 H88 F24 O32 -","8","1","HB7688","Low, John Nicolson; Gomes, Ligia R.; Gaspar, Alexandra; Borges, Fernanda","Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4H-chromen-4-one","Acta Crystallographica Section E","2017","73","8","1130","1134","10.1107/S2056989017009896","","","0.71075","MoKα","","0.0446","0.0355","","","0.0947","0.103","","","","","","1.018","","","","has coordinates,has Fobs","199181","2020-10-21","18:00:00",""
"2242217","8.4709","0.0003","9.8287","0.0003","22.4299","0.0006","90","","90","","90","","1867.47","0.1","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","erioflorin","(1aR,3S,4Z,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl methacrylate","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","ZL2693","Paz, Cristian; Ortiz, Leandro; Schilde, Uwe","Crystal structure of erioflorin isolated from Podanthus mitiqui (L.)","Acta Crystallographica Section E","2017","73","3","334","337","10.1107/S2056989017001700","","","0.71073","MoKα","","0.0497","0.0454","","","0.1134","0.1159","","","","","","1.086","","","","has coordinates,has Fobs","199182","2020-10-21","18:00:00",""
"2242218","9.4677","0.0006","25.7169","0.0013","9.5704","0.0005","90","","103.681","0.002","90","","2264.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-Ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde","","- C29 H24 N2 O S -","- C29 H24 N2 O S -","- C116 H96 N8 O4 S4 -","4","1","SU5357","Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2017","73","5","726","728","10.1107/S2056989017005540","","","0.71073","MoKα","","0.0623","0.0404","","","0.093","0.1071","","","","","","1.032","","","","has coordinates,has Fobs","199183","2020-10-21","18:00:00",""
"2242219","20.42","0.0009","5.9477","0.0002","17.8414","0.0008","90","","123.607","0.003","90","","1804.69","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-(Ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2H-1,3-benzoxazine)","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C72 H72 I8 N8 O8 -","4","0.5","HB7668","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","C—I···N short contacts as tools for the construction of the crystal packing in the crystal structure of 3,3'-(ethane-1,2-diyl)bis(6-iodo-3,4-dihydro-2H-1,3-benzoxazine)","Acta Crystallographica Section E","2017","73","5","664","666","10.1107/S2056989017005047","","","0.71073","MoKα","","0.0312","0.0299","","","0.0747","0.0755","","","","","","1.222","","","","has coordinates,has Fobs","199184","2020-10-21","18:00:00",""
"2242220","5.7574","0.0001","12.5703","0.0003","20.1888","0.0004","90","","90","","90","","1461.11","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-O-Benzoyl-2,3-O-isopropylidene-D-ribono-1,4-lactone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M.","Crystal structure of 5-O-benzoyl-2,3-O-isopropylidene-D-ribono-1,4-lactone","Acta Crystallographica Section E","2017","73","3","407","409","10.1107/S2056989017002043","","","1.54178","CuKα","","0.0238","0.0236","","","0.0676","0.0681","","","","","","1.021","","","","has coordinates,has Fobs","199185","2020-10-21","18:00:00",""
"2242221","11.868","0.0003","12.5514","0.0003","6.4386","0.0002","90","","114.012","0.001","90","","876.09","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver cobalt iron tris(orthophosphate)","","- Ag6.62 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","- Ag6.6152 Co6.56 Fe5.44 O48 P12 -","1","0.125","HP2074","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag~1.655~Co~1.64~Fe~1.36~(PO~4~)~3~","Acta Crystallographica Section E","2017","73","6","890","892","10.1107/S205698901700740X","","","0.71073","MoKα","","0.0203","0.0195","","","0.0462","0.0466","","","","","","1.192","","","","has coordinates,has Fobs","199186","2020-10-21","18:00:00",""
"2242222","32.44","0.003","10.3197","0.0008","29.869","0.002","90","","110.629","0.008","90","","9358.1","1.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","{2-[(Bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate)","","- C11 H27 Co F12 N4 P2 S3 -","- C11 H27 Co F12 N4 P2 S3 -","- C176 H432 Co16 F192 N64 P32 S48 -","16","2","IS5473","Fukuda, Yosuke; Yoshinari, Nobuto; Konno, Takumi","Synthesis and crystallographic characterization of a mononuclear cobalt(III) complex possessing both thiolate and thioether donors: reactivity of an thiolate-bridged pentanuclear Co~2~Ag~3~ complex with iodomethane","Acta Crystallographica Section E","2017","73","5","678","681","10.1107/S2056989017005229","","","0.71075","MoKα","","0.0754","0.0556","","","0.1409","0.1523","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","199187","2020-10-21","18:00:00",""
"2242223","9.2867","0.0002","10.8741","0.0002","14.3038","0.0003","90","","90","","90","","1444.46","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzylcarbamoyl-1-methylpyridin-1-ium iodide","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","RK2435","Drebushchak, T. N.; Kryukov, Yu.A.; Rogova, A. I.; Boldyreva, E. V.","Crystal structure of 4-benzylcarbamoyl-1-methylpyridin-1-ium iodide: an efficient multimodal antiviral drug","Acta Crystallographica Section E","2017","73","7","967","970","10.1107/S2056989017008155","","","0.71073","MoKα","","0.0288","0.0237","","","0.0512","0.0534","","","","","","1.077","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2242224","7.8956","0.0003","8.9627","0.0003","15.0311","0.0004","102.263","0.007","93.97","0.007","114.219","0.008","933.23","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalrestat tetrahydrofuran monosolvate","(5Z)-5-[(2E)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid tetrahydrofuran monosolvate","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C38 H42 N2 O8 S4 -","2","1","SU5372","Umeda, Daiki; Putra, Okky Dwichandra; Gunji, Mihoko; Fukuzawa, Kaori; Yonemochi, Etsuo","Epalrestat tetrahydrofuran monosolvate: crystal structure and phase transition","Acta Crystallographica Section E","2017","73","7","941","944","10.1107/S2056989017007976","","","1.54187","CuKα","","0.0377","0.0364","","","0.0961","0.097","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","199189","2020-10-21","18:00:00",""
"2242225","9.4938","0.0007","11.5325","0.0008","11.3739","0.0009","90","","109.557","0.002","90","","1173.45","0.15","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-s-indacene","","- C28 H32 B N3 -","- C28 H32 B N3 -","- C56 H64 B2 N6 -","2","1","SJ5520","Yang, Lijing; Drew, Brett; Yalagala, Ravi Shekar; Chaviwala, Rameez; Simionescu, Razvan; Lough, Alan J.; Yan, Hongbin","Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-s-indacene","Acta Crystallographica Section E","2017","73","3","378","382","10.1107/S2056989017002213","","","0.71073","MoKα","","0.0638","0.0455","","","0.0947","0.1041","","","","","","1.026","","","","has coordinates,has Fobs","199190","2020-10-21","18:00:00",""
"2242226","5.0968","0.0001","8.8153","0.0001","25.6052","0.0003","90","","90","","90","","1150.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","","- C11 H18 O4 -","- C11 H18 O4 -","- C44 H72 O16 -","4","1","","Morales-Rivera, Keyla F.; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(S)-4-[(2S,3S,4S,Z)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","Acta Crystallographica Section E","2017","73","7","1070","1072","10.1107/S2056989017009318","","","1.54184","CuKα","","0.033","0.0323","","","0.0934","0.0938","","","","","","1.256","","","","has coordinates,has Fobs","199191","2020-10-21","18:00:00",""
"2242227","5.6805","0.0003","8.3846","0.0005","21.4864","0.0012","99.191","0.001","92.719","0.001","91.701","0.001","1008.37","0.1","150","","150","","","","","","","","","3","P -1","-P 1","2","4-metacryloxyphenyl 4-n-hexyloxybenzoate","4-[(3-Methylbut-3-enoyl)oxy]phenyl 4-n-hexyloxybenzoate","","- C23 H26 O5 -","- C23 H26 O5 -","- C46 H52 O10 -","2","1","RK2436","Kuz'mina, Lyudmila G.; Konstantinov, Ivan I.; Churakov, Andrei V.; Navasardyan, Mger A.","Crystal structure of 4-[(3-methylbut-3-enoyl)oxy]phenyl 4-n-hexyloxybenzoate","Acta Crystallographica Section E","2017","73","7","1052","1055","10.1107/S2056989017008568","","","0.71073","MoKα","","0.0659","0.0445","","","0.1068","0.1173","","","","","","1.043","","","","has coordinates,has Fobs","199192","2020-10-21","18:00:00",""
"2242228","6.835","0.0006","6.835","0.0006","5.8318","0.0005","90","","90","","120","","235.94","0.04","297","2","297","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Barium copper(II) tantalum(V) trisulfide","","- Ba Cu0.34 S3 Ta0.66 -","- Ba Cu0.3334 S3 Ta0.6666 -","- Ba2 Cu0.6668 S6 Ta1.3332 -","2","0.0833333","WM5362","Bu, Kejun; He, Jianqiao; Wang, Dong; Zheng, Chong; Huang, Fuqiang","Crystal structure of the mixed-metal trisulfide BaCu~1/3~Ta~2/3~S~3~","Acta Crystallographica Section E","2017","73","5","713","715","10.1107/S2056989017005266","","","0.71073","MoKα","","0.0507","0.0425","","","0.1071","0.1126","","","","","","1.248","","","","has coordinates,has Fobs","199193","2020-10-21","18:00:00",""
"2242229","10.0304","0.0006","8.3355","0.0004","18.2581","0.0012","90","","90.547","0.008","90","","1526.46","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetonitrile-κN)bis(4-benzoylpyridine-κN)bis(thiocyanato-\ κN)cobalt(II)","","- C30 H24 Co N6 O2 S2 -","- C30 H24 Co N6 O2 S2 -","- C60 H48 Co2 N12 O4 S4 -","2","0.5","WM5365","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(acetonitrile-κN)bis(4-benzoylpyridine-κN)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2017","73","3","365","368","10.1107/S2056989017002201","","","0.71073","MoKα","","0.0423","0.0363","","","0.0923","0.0957","","","","","","1.044","","","","has coordinates,has Fobs","199194","2020-10-21","18:00:00",""
"2242230","28.2529","0.0011","28.2529","0.0011","4.2504","0.0003","90","","90","","90","","3392.8","0.3","123","2","123","2","","","","","","","","4","P 4/n","-P 4a","85","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-g]quinoxaline-6,11-dione","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-g]quinoxaline-6,11-dione","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C160 H128 N16 O32 -","8","","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-g]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","1.54184","CuKα","","0.0504","0.0381","","","0.0947","0.1049","","","","","","1.034","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242231","11.6144","0.0006","11.8249","0.0005","19.0526","0.0009","75.102","0.002","77.31","0.002","83.321","0.002","2462","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-g]quinoxaline-6,11-dione","2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-g]quinoxaline-6,11-dione","","- C30 H34 N4 O2 -","- C30 H34 N4 O2 -","- C120 H136 N16 O8 -","4","2","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-g]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","0.71073","MoKα","","0.0819","0.0467","","","0.0967","0.113","","","","","","1.027","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"2242232","5.6955","0.0014","3.8408","0.0005","14.592","0.004","90","","91.631","0.019","90","","319.07","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N'-Aminopyridine-2-carboximidamide","","- C6 H8 N4 -","- C6 H8 N4 -","- C12 H16 N8 -","2","1","NK2236","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of N'-aminopyridine-2-carboximidamide and N'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.1019","0.072","","","0.1784","0.1928","","","","","","0.874","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242233","6.6899","0.0005","18.93","0.002","9.6561","0.0011","90","","90","","90","","1222.8","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","N'-{[1-(Pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of N'-aminopyridine-2-carboximidamide and N'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.083","0.0399","","","0.0753","0.0847","","","","","","0.828","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242234","9.4257","0.0004","12.2054","0.0005","13.2067","0.0006","62.979","0.003","82.329","0.003","87.145","0.003","1341.29","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl N-(3,5-dimethylphenyl)carbamate","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","2","SU5370","AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A.","Crystal structure of phenyl N-(3,5-dimethylphenyl)carbamate","Acta Crystallographica Section E","2017","73","6","849","852","10.1107/S2056989017006922","","","0.71073","MoKα","","0.0737","0.0462","","","0.1145","0.1431","","","","","","1.09","","","","has coordinates,has Fobs","199197","2020-10-21","18:00:00",""
"2242235","6.664","0.003","8.754","0.004","8.925","0.004","103.065","0.004","110.14","0.004","92.776","0.005","471.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","- C18 H10 Ca2 Cu O14 -","1","0.5","XU5901","Zhang, Feng; Zhang, Bing-Guang","Crystal structure of a heterometallic coordination polymer: poly[diaquabis(μ~7~-benzene-1,3,5-tricarboxylato)dicalcium(II)copper(II)]","Acta Crystallographica Section E","2017","73","6","835","837","10.1107/S205698901700665X","","","0.71073","MoKα","","0.0295","0.0287","","","0.0823","0.0836","","","","","","1.038","","","","has coordinates,has Fobs","199198","2020-10-21","18:00:00",""
"2242236","4.5787","0.0002","14.7986","0.0007","22.3732","0.0012","90","","92.13","0.005","90","","1514.92","0.13","123.01","0.11","123.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(5-Acetyl-2-methylphenyl)quinoline-2-carboxamide","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three N-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0438","0.0382","","","0.1006","0.1056","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242237","4.29848","0.00012","11.6353","0.0003","15.5888","0.0004","103.788","0.002","95.515","0.002","96.195","0.002","746.76","0.04","123.1","0.4","123.1","0.4","","","","","","","","5","P -1","-P 1","2","","N-(5-Acetyl-2-bromophenyl)quinoline-2-carboxamide","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C36 H26 Br2 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three N-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","1.54184","CuKα","","0.0245","0.0238","","","0.0641","0.0648","","","","","","1.046","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242238","7.3075","0.0006","8.2605","0.0004","13.8196","0.0009","92.734","0.005","100.608","0.006","108.989","0.006","770.11","0.1","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","N-(5-Acetyl-2-ethynylphenyl)quinoline-2-carboxamide","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","LH5839","Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian","Crystal structures of three N-(3-acetylphenyl)quinoline-2-carboxamides","Acta Crystallographica Section E","2017","73","6","804","808","10.1107/S2056989017006272","","","0.71073","MoKα","","0.0802","0.0558","","","0.1369","0.1507","","","","","","1.044","","","","has coordinates,has Fobs","199199","2020-10-21","18:00:00",""
"2242239","18.67","0.002","12.8309","0.0015","14.0146","0.0016","90","","107.193","0.002","90","","3207.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuTMPEN","{N,N,N',N'-Tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ^6^N}copper(II) bis(tetrafluoridoborate)","","- C30 H36 B2 Cu F8 N6 -","- C30 H36 B2 Cu F8 N6 -","- C120 H144 B8 Cu4 F32 N24 -","4","0.5","PJ2042","Chen, Lin; Guo, Yakun; Ren, Gan; Sang, Ge","Crystal structure of [Cu(tmpen)](BF~4~)~2~ {tmpen is N,N,N',N'-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}","Acta Crystallographica Section E","2017","73","4","640","643","10.1107/S2056989017004492","","","0.71073","MoKα","","0.0385","0.0339","","","0.0933","0.0966","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","199200","2020-10-21","18:00:00",""
"2242240","7.3757","0.0003","13.7306","0.0005","16.4473","0.0006","90","","100.002","0.001","90","","1640.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione","","- C19 H13 Cl O3 Se -","- C19 H13 Cl O3 Se -","- C76 H52 Cl4 O12 Se4 -","4","1","WM5392","Zukerman-Schpector, Julio; Prado, Karinne E.; Name, Luccas L.; Cella, Rodrigo; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2017","73","6","918","924","10.1107/S2056989017007605","","","0.71073","MoKα","","0.0303","0.0257","","","0.0658","0.0684","","","","","","1.032","","","","has coordinates,has Fobs","199201","2020-10-21","18:00:00",""
"2242241","6.243","0.003","6.349","0.003","8.153","0.004","96.57","0.02","104.45","0.03","103.08","0.04","299.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Potassium chromium aluminium diarsenate, KCr~1/4~Al~3/4~As~2~O~7~","","- Al0.75 As2 Cr0.25 K O7 -","- Al0.745 As2 Cr0.255 K O7 -","- Al1.49 As4 Cr0.51 K2 O14 -","2","1","PJ2041","Bouhassine, Mohamad Alem; Boughzala, Habib","New mixed aluminium‒chromium diarsenate","Acta Crystallographica Section E","2017","73","3","345","348","10.1107/S2056989017001797","","","0.71073","MoKα","","0.0286","0.023","","","0.0566","0.0586","","","","","","1.081","","","","has coordinates,has Fobs","199202","2020-10-21","18:00:00",""
"2242242","7.551","0.0004","17.8689","0.0009","12.6834","0.0006","90","","109.95","0.0014","90","","1608.65","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[2-({2-[(2-Aminobenzylidene)amino]benzylidene}amino)-4-chlorophenolate]nickel(II)","","- C20 H14 Cl N3 Ni O -","- C20 H14 Cl N3 Ni O -","- C80 H56 Cl4 N12 Ni4 O4 -","4","1","IS5472","Kobayashi, Fumiya; Koga, Atsushi; Ohtani, Ryo; Hayami, Shinya; Nakamura, Masaaki","Crystal structure of [2-({2-[(2-azanidylbenzylidene)amino]benzylidene}amino)-4-chlorophenolato]nickel(II)","Acta Crystallographica Section E","2017","73","4","637","639","10.1107/S2056989017004613","","","0.71075","MoKα","","0.048","0.0417","","","0.1003","0.1031","","","","","","1.04","","","","has coordinates,has Fobs","199203","2020-10-21","18:00:00",""
"2242243","11.0921","0.001","14.8876","0.0014","7.207","0.0007","90","","90","","90","","1190.13","0.19","125","2","125.12","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(S)-sec-Butylammonium L-tartrate monohydrate","","- C8 H19 N O7 -","- C8 H19 N O7 -","- C32 H76 N4 O28 -","4","1","","Publicover, Ernlie A.; Kolwich, Jennifer; Stack, Darcie L.; Doué, Alyssa J.; Ylijoki, Kai E. O.","Crystal structure of (S)-sec-butylammonium L-tartrate monohydrate","Acta Crystallographica Section E","2017","73","5","716","719","10.1107/S2056989017005448","","","0.71073","MoKα","","0.0468","0.0403","","","0.0984","0.1036","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199204","2020-10-21","18:00:00",""
"2242244","8.4849","0.0011","15.407","0.003","14.157","0.002","90","","102.598","0.016","90","","1806.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3S*,4R*)-4-Fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-\ tetrahydroisoquinoline-4-carboxylic acid","","- C23 H18 F N O4 -","- C23 H18 F N O4 -","- C92 H72 F4 N4 O16 -","4","1","SU5371","Lehmann, Anna; Lechner, Lisa; Radacki, Krzysztof; Braunschweig, Holger; Holzgrabe, Ulrike","Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid","Acta Crystallographica Section E","2017","73","6","867","870","10.1107/S2056989017007186","","","0.71073","MoKα","","0.0331","0.0318","","","0.0795","0.0807","","","","","","1.047","","","","has coordinates,has Fobs","199205","2020-10-21","18:00:00",""
"2242245","7.4736","0.0012","10.8091","0.0016","9.4065","0.0014","90","","111.098","0.012","90","","708.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilead(II) oxochromate(VI) oxotellurate(IV)","","- Cr O7 Pb2 Te -","- Cr O7 Pb2 Te -","- Cr4 O28 Pb8 Te4 -","4","1","HB7677","Weil, Matthias","Crystal structure of dilead(II) oxochromate(VI) oxotellurate(IV)","Acta Crystallographica Section E","2017","73","6","853","855","10.1107/S2056989017006995","","","0.71073","MoKα","","0.0478","0.0309","","","0.0644","0.0697","","","","","","1.062","","","","has coordinates,has Fobs","199206","2020-10-21","18:00:00",""
"2242246","10.65854","0.00019","8.16642","0.00014","18.0595","0.0003","90","","96.4701","0.0015","90","","1561.93","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Co N10 O12 S2 -","- C18 H36 Co N10 O12 S2 -","- C36 H72 Co2 N20 O24 S4 -","2","0.5","RZ5216","El Hamdani, H.; El Amane, M.; Duhayon, C.","Crystal structure of the tetraaquabis(thiocyanato-κN)cobalt(II)‒caffeine‒water (1/2/4) co-crystal","Acta Crystallographica Section E","2017","73","7","980","982","10.1107/S2056989017008180","","","0.71073","MoKα","","0.0265","0.0232","","0.0247","0.0223","0.0219","","","","","","1.1285","","","","has coordinates,has Fobs","199207","2020-10-21","18:00:00",""
"2242247","17.5509","0.00012","4.85939","0.00003","22.83423","0.00016","90","","106.743","0.0007","90","","1864.9","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-1,4-dihydronaphthalene-1,4-dione‒1,8-dihydroxy-9,10-dihydroanthracene-9,10-dione (1/1)","","- C24 H13 Br O6 -","- C24 H13 Br O6 -","- C96 H52 Br4 O24 -","4","1","WM5383","Tonin, Marlon D. L.; Garden, Simon J.; Jotani, Mukesh M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","The 1:1 co-crystal of 2-bromonaphthalene-1,4-dione and 1,8-dihydroxyanthracene-9,10-dione: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2017","73","5","738","745","10.1107/S2056989017005667","","","1.54184","CuKα","","0.0248","0.0247","","","0.0748","0.0749","","","","","","1.024","","","","has coordinates","199208","2020-10-21","18:00:00",""
"2242248","23.7716","0.0006","7.0073","0.0002","9.0909","0.0002","90","","90.086","0.002","90","","1514.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide","","- C14 H17 N5 O S -","- C14 H17 N5 O S -","- C56 H68 N20 O4 S4 -","4","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.058","0.0399","","","0.1082","0.1193","","","","","","1.056","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242249","8.014","0.005","8.724","0.005","12.068","0.005","106.561","0.005","97.888","0.005","110.461","0.005","730.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C26 H30 N10 O4 S2 -","2","1","SU5373","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide","Acta Crystallographica Section E","2017","73","7","996","1000","10.1107/S2056989017008143","","","0.71073","MoKα","","0.0417","0.0365","","","0.1037","0.1102","","","","","","0.814","","","","has coordinates,has Fobs","199209","2020-10-21","18:00:00",""
"2242250","11.75","0.004","13.805","0.001","14.737","0.002","68.622","0.011","67.78","0.019","88.557","0.015","2043","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","rac-(2S,2'S,5'R)-2-Methyl-5'-[(1R,2R,5S,5'R)-1,4,4,5'-tetramethyldihydro-3'H-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2H)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","2","RZ5214","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of a new spiro-polytetrahydrofuran compound with translational pseudosymmetry: rac-(2S,2'S,5'R)-2-methyl-5'-[(1R,2R,5S,5'R)-1,4,4,5'-tetramethyldihydro-3'H-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro[2,2'-bifuran]-5(2H)-one","Acta Crystallographica Section E","2017","73","5","780","784","10.1107/S2056989017006065","","","0.71073","MoKα","","0.1092","0.0523","","","0.1002","0.1231","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","199210","2020-10-21","18:00:00",""
"2242251","16.6868","0.0005","4.96","0.0001","17.2353","0.0006","90","","105.909","0.003","90","","1371.87","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[2-(9H-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","MW2132","Simpson, Jim; Mohamed, Shaaban K.; El-Emary, Talaat I.; Albayati, Mustafa R.","Crystal structure of 5-[2-(9H-carbazol-9-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione","Acta Crystallographica Section E","2017","73","7","1066","1069","10.1107/S2056989017009252","","","1.54184","CuKα","","0.0479","0.045","","","0.1213","0.1254","","","","","","1.062","","","","has coordinates,has Fobs","199211","2020-10-21","18:00:00",""
"2242252","16.4313","0.0007","7.1909","0.0003","24.7345","0.0011","90","","90","","90","","2922.5","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis[(E)-benzylideneamino)propan-2-ol","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","1","SJ5523","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(E)-benzylideneamino]propan-2-ol","Acta Crystallographica Section E","2017","73","4","627","629","10.1107/S2056989017004741","","","0.71073","MoKα","","0.0582","0.0464","","","0.1049","0.1106","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","199212","2020-10-21","18:00:00",""
"2242253","10.4173","0.0005","10.9849","0.0005","12.0002","0.0006","72.769","0.002","84.623","0.002","89.244","0.002","1305.66","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione","","- C29 H34 F N5 S -","- C29 H34 F N5 S -","- C58 H68 F2 N10 S2 -","2","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione N-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1175","0.0606","","","0.1377","0.1628","","","","","","1.03","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242254","11.3074","0.0007","12.1576","0.0008","20.4976","0.0013","90","","101.328","0.002","90","","2762.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(Adamantan-1-yl)-4-(4-fluorophenyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1H-1,2,4-triazole-5-thione","","- C30 H36 F N5 O S -","- C30 H36 F N5 O S -","- C120 H144 F4 N20 O4 S4 -","4","1","SU5368","Al-Alshaikh, Monirah A.; Al-Mutairi, Aamal A.; Ghabbour, Hazem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione N-Mannich bases","Acta Crystallographica Section E","2017","73","8","1135","1139","10.1107/S2056989017009756","","","0.71073","MoKα","","0.1405","0.0548","","","0.1067","0.1327","","","","","","1.01","","","","has coordinates,has Fobs","199213","2020-10-21","18:00:00",""
"2242255","6.819","0.0003","7.7062","0.0003","21.7492","0.0009","90","","90","","90","","1142.89","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-1-phenylindoline-2,3-dione","","- C14 H8 Cl N O2 -","- C14 H8 Cl N O2 -","- C56 H32 Cl4 N4 O8 -","4","1","HB7661","Wang, Bing; Lu, Qing; Fang, Qi; Zhang, Ting-ting; Jin, Ying-ying","6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties","Acta Crystallographica Section E","2017","73","6","908","912","10.1107/S2056989017007630","","","0.71073","MoKα","","0.0348","0.0317","","","0.0877","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","199214","2020-10-21","18:00:00",""
"2242256","5.2945","0.0002","5.2945","0.0002","11.747","0.0005","90","","90","","90","","329.29","0.02","100","2","100","2","","","","","","","","3","I 41/a","-I 4ad","88","sodium pertechnetate","Sodium pertechnetate","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0098","0.0092","","","0.0166","0.0168","","","","","","1.31","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242257","5.3325","0.0001","5.3325","0.0001","11.8503","0.0003","90","","90","","90","","336.97","0.012","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","sodium pertechnetate","Sodium tetraoxidotechnetate(VII)","","- Na O4 Tc -","- Na O4 Tc -","- Na4 O16 Tc4 -","4","0.25","WM5391","German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.","Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data","Acta Crystallographica Section E","2017","73","7","1037","1040","10.1107/S2056989017008362","","","0.71073","MoKα","","0.0087","0.0081","","","0.0184","0.0186","","","","","","1.161","","","","has coordinates,has Fobs","199215","2020-10-21","18:00:00",""
"2242258","13.412","0.003","11.421","0.002","15.441","0.003","90","","110.5","0.03","90","","2215.4","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","","- C20 H18 Co N6 O8 S -","- C20 H18 Co N6 O8 S -","- C80 H72 Co4 N24 O32 S4 -","4","1","WM5395","Li, Guo-Ling; Sato, Osamu","A compressed octahedral cobalt(II) complex in the crystal structure of diaqua[6,6'-sulfanediylbis(2,2'-bipyridine)]cobalt(II) dinitrate","Acta Crystallographica Section E","2017","73","7","993","995","10.1107/S2056989017008428","","","0.71073","MoKα","","0.059","0.0417","","","0.0828","0.0898","","","","","","1.061","","","","has coordinates,has Fobs","199216","2020-10-21","18:00:00",""
"2242259","5.1833","0.0007","30.341","0.004","10.6339","0.0015","90","","97.91","0.009","90","","1656.4","0.4","91","2","91","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,5-Dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0758","0.0518","","","0.1238","0.1382","","","","","","1.03","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242260","4.4096","0.0002","11.8425","0.0006","28.2511","0.0016","90","","93.495","0.003","90","","1472.55","0.13","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-(2,4,5-Trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HG5486","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structures of the polymer precursors 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propyl methacrylate and 3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)propyl methacrylate","Acta Crystallographica Section E","2017","73","5","658","663","10.1107/S2056989017004959","","","0.71073","MoKα","","0.0772","0.0491","","","0.1202","0.1379","","","","","","1.037","","","","has coordinates,has Fobs","199217","2020-10-21","18:00:00",""
"2242261","7.5941","0.0006","10.0703","0.0006","7.8286","0.0006","90","","112.402","0.009","90","","553.51","0.08","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Murray N-oxide catalyst","1-Methylimidazole 3-N-oxide monohydrate","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","2","HB7643","Frampton, Christopher S.; Murray, James I.; Spivey, Alan C.","Crystal structure of 1-methylimidazole 3-oxide monohydrate","Acta Crystallographica Section E","2017","73","3","372","374","10.1107/S2056989017002079","","","1.54184","CuKα","","0.0461","0.0415","","","0.1143","0.1192","","","","","","1.013","","","","has coordinates,has Fobs","199218","2020-10-21","18:00:00",""
"2242262","12.0367","0.001","7.2497","0.0004","16.1396","0.0013","90","","94.404","0.01","90","","1404.22","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(methanol-κO)bis(4-benzoylpyridine-κN)bis(thiocyanato-\ κN)cobalt(II)","","- C28 H26 Co N4 O4 S2 -","- C28 H26 Co N4 O4 S2 -","- C56 H52 Co2 N8 O8 S4 -","2","0.5","WM5377","Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Crystal structure of bis(4-benzoylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2017","73","4","616","619","10.1107/S2056989017004765","","","0.71073","MoKα","","0.0592","0.0519","","","0.1421","0.1489","","","","","","1.076","","","","has coordinates,has Fobs","199219","2020-10-21","18:00:00",""
"2242263","9.0447","0.0012","6.8764","0.0009","10.9021","0.0014","90","","92.959","0.002","90","","677.15","0.15","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","MIAN","(E)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","0.5","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0487","0.039","","","0.0914","0.0974","","","","","","1.044","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242264","9.0764","0.001","6.8187","0.0008","10.745","0.0012","90.88","0.002","92.78","0.002","96.259","0.002","660.12","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","MIAN","(E)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one","","- C18 H10 Cl N O -","- C18 H10 Cl N O -","- C36 H20 Cl2 N2 O2 -","2","1","","Bao, Lipiao; Olmstead, Marilyn M.","A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one","Acta Crystallographica Section E","2017","73","8","1255","1258","10.1107/S2056989017010659","","","0.71073","MoKα","","0.0341","0.0311","","","0.0897","0.0919","","","","","","1.078","","","","has coordinates,has Fobs","199343","2020-10-21","18:00:00",""
"2242265","11.4012","0.0004","13.8443","0.0005","17.0264","0.0008","99.134","0.003","95.917","0.003","103.941","0.003","2547.07","0.18","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","Hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","","- C48 H42 N3 O18 P3 -","- C48 H42 N3 O18 P3 -","- C96 H84 N6 O36 P6 -","2","1","RZ5218","Zhu, Jing; Hou, Guo Hui; Li, Qian; Zheng, Fu Wei; Wei, Hong Liang; Chu, Hui Juan; Wang, Gang; He, Juan; Qu, Ling Bo","Crystal structure of hexamethyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate","Acta Crystallographica Section E","2017","73","8","1252","1254","10.1107/S2056989017010325","","","1.54184","CuKα","","0.0753","0.0575","","","0.1661","0.1813","","","","","","1.026","","","","has coordinates,has Fobs","199344","2020-10-21","18:00:00",""
"2242266","10.656","0.006","14.765","0.008","20.757","0.011","90","","98.378","0.008","90","","3231","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3,5-Dimethyl-1H-pyrrol-2-yl)diphenylphosphine oxide","","- C18 H18 N O P -","- C18 H18 N O P -","- C144 H144 N8 O8 P8 -","8","1","WM5405","Kang, Sung Kwon; Choi, Eung Man; Son, Kyung-sun","Crystal structure of (3,5-dimethyl-1H-pyrrol-2-yl)diphenylphosphine oxide","Acta Crystallographica Section E","2017","73","8","1268","1270","10.1107/S2056989017010994","","","0.71073","MoKα","","0.059","0.0461","","","0.1265","0.1358","","","","","","1.065","","","","has coordinates,has Fobs","199408","2020-10-21","18:00:00",""
"2242267","7.9623","0.0001","8.1806","0.0002","15.6919","0.0003","97.852","0.007","99.837","0.007","113.206","0.008","901.83","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat acetone monosolvate","(5Z)-5-[(2E)-2-Methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidine-3-acetic acid acetone monosolvate","","- C18 H19 N O4 S2 -","- C18 H19 N O4 S2 -","- C36 H38 N2 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Fukuzawa, Kaori; Gunji, Mihoko; Yonemochi, Etsuo","A new solvate of epalerstat, a drug for diabetic neuropathy","Acta Crystallographica Section E","2017","73","8","1264","1267","10.1107/S2056989017010751","","","1.54187","CuKα","","0.0542","0.0504","","","0.1346","0.1373","","","","","","1.105","","","","has coordinates,has Fobs","199409","2020-10-21","18:00:00",""
"2242268","13.709","0.002","14.198","0.002","23.339","0.002","72.878","0.01","82.765","0.015","77.051","0.014","4222.2","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","rac-(2R,2'R,5'S)-2-Methyl-5'-[(1R,2R,5S,5'S)-1,4,4,5'-tetramethyldihydro-3'H-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2H)-one","","- C22 H34 O6 -","- C22 H34 O6 -","- C176 H272 O48 -","8","4","ZQ2238","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Pseudosymmetry and high Z' structures: the case of rac-(2R,2'R,5'S)-2-methyl-5'-[(1R,2R,5S,5'S)-1,4,4,5'-tetramethyldihydro-3'H-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2H)-one","Acta Crystallographica Section E","2017","73","9","1282","1286","10.1107/S2056989017010805","","","0.71073","MoKα","","0.1745","0.0667","","","0.1256","0.1569","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","199458","2020-10-21","18:00:00",""
"2242269","7.6995","0.0006","9.2634","0.0008","17.9198","0.0014","90.97","0.004","92.039","0.004","110.902","0.004","1192.64","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4,4'-{[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate","","- C22 H14.5 O6.25 S6 -","- C22 H14.5 O6.25 S6 -","- C44 H29 O12.5 S12 -","2","1","IS5477","Zhang, Yuanyuan; He, Qiqian; Bao, Huijie; Wang, Lejia; Xiao, Xunwen","Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate","Acta Crystallographica Section E","2017","73","9","1275","1278","10.1107/S2056989017011070","","","0.71073","MoKα","","","0.045","","","0.1062","0.119","","","","","","1.083","","","","has coordinates,has Fobs","199459","2020-10-21","18:00:00",""
"2242270","7.712","0.002","8.554","0.002","10.461","0.002","88.58","0.03","89.82","0.03","73.97","0.03","663.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","potassium indium diarsenate","Potassium indium diarsenate(V)","","- As2 In K O7 -","- As2 In K O7 -","- As8 In4 K4 O28 -","4","2","PK2604","Schwendtner, Karolina; Kolitsch, Uwe","KInAs~2~O~7~, a new diarsenate with the TlInAs~2~O~7~ structure type","Acta Crystallographica Section E","2017","73","9","1294","1297","10.1107/S2056989017011318","","","0.71073","MoKα","","0.0212","0.019","","","0.0425","0.0431","","","","","","1.157","","","","has coordinates,has Fobs","199557","2020-10-21","18:00:00",""
"2242271","7.3948","0.0011","9.4609","0.0013","13.5183","0.0019","90","","95.771","0.002","90","","941","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(E)-Styryl]-1,3,4-oxathiazol-2-one","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","HB7694","Nason, Trevor R.; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","Crystal structure determination as part of an ongoing undergraduate organic laboratory project: 5-[(E)-styryl]-1,3,4-oxathiazol-2-one","Acta Crystallographica Section E","2017","73","9","1298","1301","10.1107/S2056989017011264","","","0.71073","MoKα","","0.0474","0.0398","","","0.0977","0.1067","","","","","","1.065","","","","has coordinates,has Fobs","199558","2020-10-21","18:00:00",""
"2242272","13.637","0.002","6.8965","0.0016","11.817","0.003","90","","109.28","0.02","90","","1049","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","0.5","FF2150","Castro Agudelo, Brian; Cárdenas, Juan C.; Macías, Mario A.; Ochoa-Puentes, Cristian; Sierra, Cesar A.","Crystal structure of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder","Acta Crystallographica Section E","2017","73","9","1287","1289","10.1107/S2056989017010799","","","0.71073","MoKα","","0.0511","0.0468","","","0.1215","0.1259","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","199559","2020-10-21","18:00:00",""
"2242273","5.6859","0.0003","5.6859","0.0003","5.6099","0.0003","90","","90","","120","","157.067","0.014","293.15","","293.15","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Cerium(IV) bis(phosphite)","","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","- Ce H2 O6 P2 -","1","0.0833333","WM5407","Byer, Stefano H.; Villa, Eric M.","Synthesis and crystal structure of cerium(IV) bis(phosphite)","Acta Crystallographica Section E","2017","73","9","1290","1293","10.1107/S205698901701115X","","","0.71073","MoKα","","0.0098","0.0098","","","0.0293","0.0293","","","","","","1.258","","","","has coordinates","199560","2020-10-21","18:00:00",""
"2242274","10.6089","0.0003","22.7141","0.0005","8.8959","0.0002","90","","122.211","0.001","90","","1813.73","0.08","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate","","- C18 H24 N2 O2 S -","- C18 H24 N2 O2 S -","- C72 H96 N8 O8 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0285","0.0276","","","0.0714","0.0722","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242275","10.7928","0.0002","6.9591","0.0001","28.0176","0.0005","90","","97.408","0.001","90","","2086.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 2,4,6-trinitrophenolate","","- C17 H21 N5 O7 S -","- C17 H21 N5 O7 S -","- C68 H84 N20 O28 S4 -","4","1","LH5849","Sagar, Belakavadi K.; Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate","Acta Crystallographica Section E","2017","73","9","1320","1325","10.1107/S2056989017011446","","","1.54178","CuKα","","0.0731","0.0525","","","0.1264","0.1388","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","199668","2020-10-21","18:00:00",""
"2242276","13.5654","0.0004","20.0993","0.0006","14.3329","0.0004","90","","99.658","0.003","90","","3852.5","0.2","293.57","0.1","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium chloride‒1,1'-(1,2-phenylene)bis(3-m-tolylurea) (1/1)","","- C38 H58 Cl N5 O2 -","- C38 H58 Cl N5 O2 -","- C152 H232 Cl4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-m-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0941","0.0815","","","0.2262","0.2518","","","","","","1.0504","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242277","10.5879","0.0002","20.3165","0.0005","18.0828","0.0003","90","","91.0672","0.0017","90","","3889.1","0.14","293.57","0.1","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium bromide‒1,1'-(1,2-phenylene)bis(3-m-tolylurea) (1/1)","","- C38 H58 Br N5 O2 -","- C38 H58 Br N5 O2 -","- C152 H232 Br4 N20 O8 -","4","1","IM2480","Huang, Chao; Wang, Ruyu; Shu, Xi; Fan, Yu; Qi, Yue; Li, Shoujian; Xia, Chuanqin","Crystal structures of the 2:2 complex of 1,1'-(1,2-phenylene)bis(3-m-tolylurea) and tetrabutylammonium chloride or bromide","Acta Crystallographica Section E","2017","73","9","1316","1319","10.1107/S2056989017009951","","","1.54184","CuKα","","0.0726","0.0625","","","0.1701","0.1849","","","","","","1.0325","","","","has coordinates,has Fobs","199669","2020-10-21","18:00:00",""
"2242278","8.1945","0.0003","8.3733","0.0003","28.3277","0.0009","82.698","0.002","84.183","0.002","81.814","0.002","1901.42","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","penoxsulam","2-(2,2-Difluoroethoxy)-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide","","- C16 H14 F5 N5 O5 S -","- C16 H14 F5 N5 O5 S -","- C64 H56 F20 N20 O20 S4 -","4","2","","Park, Hyunjin; Kim, Jineun; Chiang, Hojae; Kim, Tae Ho","Crystal structure of penoxsulam","Acta Crystallographica Section E","2017","73","9","1312","1315","10.1107/S2056989017011458","","","0.71073","MoKα","","0.0541","0.044","","","0.1014","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","199670","2020-10-21","18:00:00",""
"2242279","6.3414","0.0003","9.1268","0.0005","18.1423","0.0009","90","","95.634","0.002","90","","1044.94","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-furan-2-carbaldehyde O-benzoyloxime","(E)-(Furan-2-ylmethylidene)amino benzoate","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","GW2156","Hijji, Yousef M.; Rajan, Rajeesha; Mansour, Said; Ben Yahia, Hamdi","Crystal structure of (E)-furan-2-carbaldehyde O-benzoyloxime","Acta Crystallographica Section E","2017","73","9","1326","1328","10.1107/S2056989017011562","","","0.71069","MoKα","","0.1013","0.0368","","","0.078","0.1009","","","","","","1.05","","","","has coordinates,has Fobs","199671","2020-10-21","18:00:00",""
"2242280","9.4291","0.0012","15.062","0.0019","12.1595","0.0011","90","","128.252","0.006","90","","1356.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","HB7693","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate","Acta Crystallographica Section E","2017","73","9","1305","1307","10.1107/S2056989017011252","","","0.71073","MoKα","","0.1027","0.0557","","","0.1359","0.1639","","","","","","1.024","","","","has coordinates,has Fobs","199672","2020-10-21","18:00:00",""
"2242281","8.7525","0.0016","10.691","0.002","11.22","0.002","79.953","0.008","69.969","0.005","87.796","0.007","971","0.3","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","rac-4-[2-(tert-Butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Liu, Wenju; Chen, Qiliang; Yu, Linda","Crystal structure of rac-4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate","Acta Crystallographica Section E","2017","73","9","1333","1335","10.1107/S2056989017011513","","","0.71073","MoKα","","0.0533","0.0422","","","0.1059","0.1123","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","199732","2020-10-21","18:00:00",""
"2242282","6.0044","0.0003","16.4721","0.0007","17.8957","0.0009","90","","90","","90","","1769.98","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-N-[2-(1H-Indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, Sergey; Sliva, Tetyana Yu.","Crystal structure and DFT study of (E)-N-[2-(1H-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","Acta Crystallographica Section E","2017","73","9","1329","1332","10.1107/S2056989017011483","","","0.71073","MoKα","","0.0589","0.0412","","","0.0863","0.0926","","","","","","1.043","","","","has coordinates,has Fobs","199733","2020-10-21","18:00:00",""
"2242283","7.507","0.003","12.247","0.005","13.634","0.005","90","","99.278","0.005","90","","1237.1","0.8","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Bis(anilinium) azide","μ-Hydrido-bis(4-aminopyridinium) azide","","- C10 H13 N7 -","- C10 H13 N7 -","- C40 H52 N28 -","4","0.5","HB7695","Fábry, Jan","A long symmetric N···H···N hydrogen bond in bis(4-aminopyridinium)(1+) azide(1{-}): redetermination from the original data","Acta Crystallographica Section E","2017","73","9","1344","1347","10.1107/S2056989017011537","","","0.71073","MoKα","","0.0471","0.034","","","0.0807","0.0852","","","","","","1.48","","","","has coordinates,has Fobs","199794","2020-10-21","18:00:00",""
"2242284","25.7608","0.0018","11.0507","0.0005","12.2709","0.001","90","","90.955","0.006","90","","3492.7","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one‒3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one (1/7)","","- C20 H11.88 Br Cl0.12 N5 O -","- C20 H11.875 Br Cl0.125 N5 O -","- C160 H95 Br8 Cl N40 O8 -","8","1","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1095","0.0507","","","0.1153","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","199795","2020-10-21","18:00:00",""
"2242285","7.1074","0.0007","32.754","0.003","16.1505","0.0015","90","","98.914","0.003","90","","3714.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one","","- C20 H11 Br Cl N5 O -","- C20 H11 Br Cl N5 O -","- C160 H88 Br8 Cl8 N40 O8 -","8","2","BT6995","Wahedy, Kanan; Abu Thaher, Bassam; Schollmeyer, Dieter; Almasri, Ihab; Morjan, Rami; Qeshta, Basem; Deigner, Hans-Peter","Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one","Acta Crystallographica Section E","2017","73","9","1341","1343","10.1107/S2056989017011732","","","0.71073","MoKα","","0.1483","0.0471","","","0.0702","0.0893","","","","","","0.716","","","","has coordinates,has Fobs","199795","2020-10-21","18:00:00",""
"2242287","16.148","0.013","8.631","0.009","7.674","0.01","90","","90","","90","","1070","2","297","2","297","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Potassium trans-bicyclo[5.1.0]octane-4-carboxylate monohydrate","","- C9 H15 K O3 -","- C9 H15 K O3 -","- C36 H60 K4 O12 -","4","0.5","PK2603","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium trans-bicyclo[5.1.0]octane-4-carboxylate monohydrate and cis-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","0.7107","MoKα","","0.0562","0.0341","","","0.0856","0.096","","","","","","1.004","","","","has coordinates,has disorder","199898","2020-10-21","18:00:00",""
"2242288","12.829","0.001","9.759","0.001","11.73","0.002","90","","95.74","0.01","90","","1461.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-Bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","","Corfield, Peter W. R.; Kershaw, Richard A.","Crystal structures of two bicyclo[5.1.0]octanes: potassium trans-bicyclo[5.1.0]octane-4-carboxylate monohydrate and cis-bicyclo[5.1.0]octan-4-yl 4-bromobenzenesulfonate","Acta Crystallographica Section E","2017","73","9","1357","1362","10.1107/S2056989017011756","","","1.5418","CuKα","","0.0309","0.0274","","","0.0887","0.0905","","","","","","1.08","","","","has coordinates,has Fobs","199898","2020-10-21","18:00:00",""
"2242289","5.4258","0.0002","8.9491","0.0003","11.4365","0.0003","90","","94.092","0.003","90","","553.9","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hibiscus acid dimethyl sulfoxide monosolvate","(2S,3R)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H12 O8 S -","- C8 H12 O8 S -","- C16 H24 O16 S2 -","2","1","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0569","0.0473","","","0.1079","0.1132","","","","","","1.045","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242290","9.3057","0.0006","7.6934","0.0006","13.4012","0.0011","90","","96.243","0.007","90","","953.74","0.12","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","hibiscus acid dimethyl ester","Dimethyl (2S,3R)-3-Hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylate","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","2","ZS2386","Zheoat, Ahmed M.; Gray, Alexander I.; Igoli, John O.; Kennedy, Alan R.; Ferro, Valerie A.","Crystal structures of hibiscus acid and hibiscus acid dimethyl ester isolated from Hibiscus sabdariffa (Malvaceae)","Acta Crystallographica Section E","2017","73","9","1368","1371","10.1107/S2056989017011902","","","1.5418","CuKα","","0.0545","0.0437","","","0.1073","0.121","","","","","","1.096","","","","has coordinates,has Fobs","199899","2020-10-21","18:00:00",""
"2242291","8.0872","0.0002","9.4146","0.0002","13.0721","0.0003","75.858","0.001","78.46","0.001","77.488","0.001","930.75","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-N,N-diallyldithiocarbamato)bis[(N,N-diallyldithiocarbamato)cadmium]","","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","- C28 H40 Cd2 N4 S8 -","1","0.5","ZL2710","Onwudiwe, Damian C.; Hrubaru, Madalina; Hosten, Eric C.; Arderne, Charmaine","Bis(μ-N,N-diallyldithiocarbamato)bis[(N,N-diallyldithiocarbamato)cadmium]","Acta Crystallographica Section E","2017","73","9","1353","1356","10.1107/S2056989017011616","","","0.71073","MoKα","","0.0168","0.015","","","0.0356","0.0371","","","","","","1.152","","","","has coordinates,has Fobs","199900","2020-10-21","18:00:00",""
"2242293","7.17","0.0003","8.9723","0.0004","19.8379","0.0007","90","","90","","90","","1276.2","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tri-μ-aqua-(μ-2-carboxylatopyrrolidine-1-carbodithioato)dipotassium]","","- C6 H13 K2 N O5 S2 -","- C6 H13 K2 N O5 S2 -","- C24 H52 K8 N4 O20 S8 -","4","1","ZL2712","Liebing, Phil","Crystal structure of dipotassium N-carbodithioato-L-prolinate trihydrate","Acta Crystallographica Section E","2017","73","9","1375","1378","10.1107/S2056989017011999","","","0.71073","MoKα","","0.0293","0.0229","","","0.0409","0.0418","","","","","","0.965","","","","has coordinates,has Fobs","199967","2020-10-21","18:00:00",""
"2242294","6.8571","0.0004","4.7724","0.0003","32.001","0.0017","90","","95.916","0.004","90","","1041.65","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-\ tetrathione","","- C24 H16 N2 S4 -","- C24 H16 N2 S4 -","- C48 H32 N4 S8 -","2","0.5","","Im, Hansu; Park, Hyunjin; Kim, Tae Ho; Woo, Chang Hwa","Crystal structure of 2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrathione","Acta Crystallographica Section E","2017","73","9","1379","1381","10.1107/S2056989017012154","","","0.71073","MoKα","","0.044","0.0381","","","0.0862","0.0885","","","","","","1.046","","","","has coordinates,has Fobs","199968","2020-10-21","18:00:00",""
"2242295","8.2799","0.0008","8.9169","0.0009","9.7451","0.001","104.597","0.003","112.569","0.003","105.22","0.003","588.7","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","N-(4-Hydroxybenzyl)acetone thiosemicarbazone","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C22 H30 N6 O2 S2 -","2","1","ZS2385","Argibay-Otero, Saray; Vázquez-López, Ezequiel M.","Crystal structure of N-(4-hydroxybenzyl)acetone thiosemicarbazone","Acta Crystallographica Section E","2017","73","9","1382","1384","10.1107/S2056989017012129","","","0.71073","MoKα","","0.0398","0.0322","","","0.0781","0.0824","","","","","","1","","","","has coordinates,has Fobs","199969","2020-10-21","18:00:00",""
"2242296","5.5322","0.0002","7.8707","0.0003","32.9092","0.0014","90","","90","","90","","1432.94","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-[2-(Cyclohexylsulfanyl)ethyl]quinolinic acid imide","6-[2-(Cyclohexylsulfanyl)ethyl]-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Park, Hyunjin; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of N-[2-(cyclohexylsulfanyl)ethyl]quinolinic acid imide","Acta Crystallographica Section E","2017","73","9","1372","1374","10.1107/S2056989017012142","","","0.71073","MoKα","","0.0392","0.0341","","","0.0697","0.072","","","","","","1.042","","","","has coordinates,has Fobs","199970","2020-10-21","18:00:00",""
"2242297","9.1532","0.0006","8.7029","0.0008","8.7336","0.0005","90","","90","","90","","695.71","0.09","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","7-Azabicyclo[2.2.1]heptane hydrochloride","7-Azabicyclo[2.2.1]heptan-7-ium chloride","","- C6 H12 Cl N -","- C6 H12 Cl N -","- C24 H48 Cl4 N4 -","4","0.5","ZL2713","Britvin, Sergey N.; Rumyantsev, Andrey M.","The 7-azanorbornane nucleus of epibatidine: 7-azabicyclo[2.2.1]heptan-7-ium chloride","Acta Crystallographica Section E","2017","73","9","1385","1388","10.1107/S2056989017012105","","","0.71073","MoKα","","0.0177","0.0174","","","0.0474","0.0476","","","","","","1.152","","","","has coordinates,has Fobs","200061","2020-10-21","18:00:00",""
"2242298","12.307","0.0004","13.2871","0.0004","13.8499","0.0003","90.907","0.002","100.748","0.002","109.938","0.003","2083.95","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(4-Nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","2","HG5491","Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Albayati, Mustafa R.","Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol","Acta Crystallographica Section E","2017","73","9","1398","1401","10.1107/S2056989017011057","","","1.54184","CuKα","","0.0819","0.0724","","","0.2041","0.2157","","","","","","1.09","","","","has coordinates,has Fobs","200062","2020-10-21","18:00:00",""
"2242299","7.6904","0.0004","13.0429","0.0007","9.022","0.0004","90","","90.081","0.002","90","","904.95","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione","","- C7 H8 N4 S2 -","- C7 H8 N4 S2 -","- C28 H32 N16 S8 -","4","1","ZP2023","Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Truc, Vy; Duong Khanh, Linh; Ha Manh, Hung; Thang Pham, Chien; Van Meervelt, Luc","Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione","Acta Crystallographica Section E","2017","73","9","1389","1392","10.1107/S2056989017012191","","","0.71073","MoKα","","0.0313","0.0274","","","0.0693","0.0713","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","200063","2020-10-21","18:00:00",""
"2242300","10.8863","0.001","7.6256","0.0007","16.53","0.0015","90","","106.31","0.004","90","","1317","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(7-Bromomethyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate","","- C13 H14 Br N3 O2 -","- C13 H14 Br N3 O2 -","- C52 H56 Br4 N12 O8 -","4","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of N-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.0682","0.0512","","","0.1337","0.1436","","","","","","1.031","","","","has coordinates,has Fobs","200203","2020-10-21","18:00:00",""
"2242301","9.4065","0.0005","9.5271","0.0005","16.6464","0.001","88.777","0.003","81.057","0.002","64.928","0.002","1333.15","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis[N-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate","","- C24 H22 Br4 N6 O3 -","- C24 H22 Br4 N6 O3 -","- C48 H44 Br8 N12 O6 -","2","1","","Rosin, Robert; Seichter, Wilhelm; Mazik, Monika","Crystal structures of the dioxane hemisolvates of N-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]","Acta Crystallographica Section E","2017","73","10","1409","1413","10.1107/S2056989017012208","","","0.71073","MoKα","","0.032","0.0294","","","0.0728","0.074","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","200203","2020-10-21","18:00:00",""
"2242302","5.2243","0.0003","6.7414","0.0004","11.2772","0.0006","90","","94.82","0.002","90","","395.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl sulfoxide","","- C2 H6 O S -","- C2 H6 O S -","- C8 H24 O4 S4 -","4","1","WM5409","Reuter, Hans","Structural parameters of dimethyl sulfoxide, DMSO, at 100K, based on a redetermination by use of high-quality single-crystal X-ray data","Acta Crystallographica Section E","2017","73","10","1405","1408","10.1107/S2056989017012464","","","0.71073","MoKα","","0.0322","0.0242","","","0.0577","0.0615","","","","","","1.126","","","","has coordinates,has Fobs","200204","2020-10-21","18:00:00",""
"2242303","12.872","0.006","10.139","0.005","13.46","0.006","90","","103.104","0.009","90","","1710.9","1.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1S,2S,5R)-5-(acetylamino)-4-oxo-2,3-diphenyl-1,3-\ thiazinan-1-ium-1-olate","(1S,2S,5R)-5-Acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","2","ZS2387","Yennawar, Hemant P.; Noble, Duncan J.; Silverberg, Lee J.","Crystal structure of (1S,2S,5R)-5-acetylamino-4-oxo-2,3-diphenyl-1,3-thiazinan-1-ium-1-olate","Acta Crystallographica Section E","2017","73","10","1417","1420","10.1107/S2056989017012488","","","0.71073","MoKα","","0.0562","0.0489","","","0.1204","0.1276","","","","","","1.024","","","","has coordinates,has Fobs","200205","2020-10-21","18:00:00",""
"2242304","10.257","0.0018","7.6151","0.0013","11.503","0.002","90","","101.11","0.003","90","","881.6","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","7-hydroxyroyleanone","(4bS,8aS,10S)-3,10-Dihydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Xu, Shicheng; Ma, Xinhua; Ke, Ruifang; Deng, Shihao; Yang, Xinzhou; Song, Ping","Crystal structure of 7β-hydroxyroyleanone isolated from Taxodium ascendens (B.)","Acta Crystallographica Section E","2017","73","10","1414","1416","10.1107/S2056989017011987","","","0.71073","MoKα","","0.0322","0.0303","","","0.0812","0.083","","","","","","1.029","","","","has coordinates,has Fobs","200206","2020-10-21","18:00:00",""