# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-15T03:52:26+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 'IUCrData') AND volume = 9 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
"1570704","13.6947","0.0012","23.467","0.002","5.2287","0.0006","90","","90","","90","","1680.4","0.3","100","0.5","100","0.5","","","","","","","","4","P 21 21 2","P 2 2ab","18","","5,6-Dimethylbenzo[<i>d</i>][1,3]oxatellurole","","- C9 H10 O Te -","- C9 H10 O Te -","- C72 H80 O8 Te8 -","8","2","HB4459","Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas","5,6-Dimethylbenzo[d][1,3]oxatellurole","IUCrData","2024","9","1","x231076","","10.1107/S2414314623010763","","","0.56086","AgKα","","0.0424","0.033","","","0.0585","0.0609","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","x231093","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570750","7.9583","0.0002","11.2703","0.0002","16.008","0.0005","83.0428","0.0018","86.9392","0.0013","76.5236","0.0018","1385.51","0.06","223","","223","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-methylthiosemicarbazone","<i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C13 H21 N3 S -","- C13 H21 N3 S -","- C52 H84 N12 S4 -","4","2","","Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2024","9","1","x240013","","10.1107/S2414314624000130","","x-ray","0.71073","MoKα","","0.1129","0.0522","","","0.1144","0.1399","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:13:21",""
"1570778","14.7877","0.0006","9.9287","0.0004","9.523","0.0003","90","","95.233","0.004","90","","1392.36","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","","- C14 H12 Cl2 N2 O2 Zn -","- C14 H12 Cl2 N2 O2 Zn -","- C56 H48 Cl8 N8 O8 Zn4 -","4","0.5","WM4203","Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.","Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)","IUCrData","2024","9","1","x240037","","10.1107/S2414314624000373","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0768","0.0783","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","x240036","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570809","7.0419","0.0001","19.2513","0.0003","12.7175","0.0002","90","","100.513","0.002","90","","1695.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate","","- C28 H30 Mn N8 O20 -","- C28 H30 Mn N8 O20 -","- C56 H60 Mn2 N16 O40 -","2","0.5","BV4050","Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.","Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate","IUCrData","2024","9","1","x240040","","10.1107/S2414314624000403","","","1.54184","CuKα","","0.0386","0.0348","","","0.0946","0.0972","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570810","12.4019","0.0014","14.8205","0.0019","14.9762","0.0018","105.936","0.004","113.662","0.003","94.486","0.004","2368.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>':κ<i>S</i>)bis[(<i>cis</i>-1,2-diphenylethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)] dimethylformamide disolvate","","- C52 H52 Fe N3 O S4 -","- C52 H52 Fe N3 O S4 -","- C104 H104 Fe2 N6 O2 S8 -","2","1","IM4022","Selvakumar, Jayaraman; Arumugam, Kuppuswamy","Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate","IUCrData","2023","9","1","x231083","","10.1107/S2414314623010830","","","0.71073","MoKα","","0.0431","0.0328","","","0.0803","0.0901","","","","","","1.0731","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570811","11.3235","0.0008","11.3235","0.0008","11.3235","0.0008","90","","90","","90","","1451.92","0.18","296","2","296","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium dinickel carbide","","- C Ni2 Ti4 -","- C Ni2 Ti4 -","- C16 Ni32 Ti64 -","16","0.0833333","WM4205","Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Crystal structure of Ti4Ni2C","IUCrData","2024","9","1","x240043","","10.1107/S2414314624000439","","","0.71073","MoKα","","0.0259","0.0237","","","0.0508","0.051","","","","","","1.216","","","","has coordinates","300370","2025-07-05","10:13:21",""
"1570858","12.1089","0.0003","13.3568","0.0003","14.0513","0.0004","90","","98.955","0.003","90","","2244.9","0.1","100","0.13","100","0.13","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","","- C44 H36 F6 N10 Ni O7 S2 -","- C44 H36 F6 N10 Ni O7 S2 -","- C88 H72 F12 N20 Ni2 O14 S4 -","2","1","VM4063","Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.","Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate","IUCrData","2024","9","1","x240088","","10.1107/S2414314624000889","","x-ray","1.54184","CuKα","","0.0597","0.0575","","","0.1351","0.1364","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570967","9.7878","0.0001","26.2103","0.0003","12.6443","0.0001","90","","97.202","0.001","90","","3218.19","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κN)ruthenium(II) bistriflate","Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(isonicotinamide-κ<i>N</i>)ruthenium(II) bis(trifluoromethanesulfonate)","","- C28 H24 F6 N6 O8 Ru S2 -","- C28 H24 F6 N6 O8 Ru S2 -","- C112 H96 F24 N24 O32 Ru4 S8 -","4","1","BT4147","Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.","Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240114","","10.1107/S2414314624001147","","x-ray","1.54184","CuKα","","0.0729","0.0712","","","0.1574","0.1585","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:22",""
"1570968","14.434","0.0003","13.9644","0.0002","14.2126","0.0002","90","","102.536","0.0016","90","","2796.43","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(4,4'-dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) bis(trifluoromethanesulfonate)","","- C24 H20 F6 N4 O8 Pd S2 -","- C24 H20 F6 N4 O8 Pd S2 -","- C96 H80 F24 N16 O32 Pd4 S8 -","4","1","WM4206","Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.","(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)","IUCrData","2024","9","2","x240109","","10.1107/S2414314624001093","","x-ray","1.54184","CuKα","","0.0413","0.0376","","","0.0966","0.0999","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1570997","27.8745","0.0009","83.475","0.003","7.5368","0.0002","90","","90","","90","","17536.8","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-Ethyl-3,3-dimethylspiro[indoline-2,8'-phenaleno[1,9-<i>fg</i>]chromene]","","- C30 H25 N O -","- C30 H25 N O -","- C960 H800 N32 O32 -","32","2","HB4461","Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang","1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]","IUCrData","2024","9","2","x240137","","10.1107/S2414314624001378","","","1.54178","CuKα","","0.0382","0.0319","","","0.0836","0.0875","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571038","8.3549","0.0007","9.3366","0.0008","12.3971","0.0007","69.409","0.007","75.524","0.006","65.217","0.008","815.89","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)]","","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","- C30 H30 N6 O10 Zn2 -","1","0.5","ZL4065","Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.","Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]","IUCrData","2024","9","2","x240122","","10.1107/S2414314624001226","","x-ray","0.71073","MoKα","","0.0552","0.039","","","0.0896","0.0979","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571068","13.7387","0.0012","20.547","0.002","8.4283","0.0009","90","","90","","90","","2379.2","0.4","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","2","HB4463","Moodley, Cresten; Muller, Alfred; Belay, Yonas H.","Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate","IUCrData","2024","9","2","x240163","","10.1107/S2414314624001639","","","0.71073","MoKα","","0.1043","0.0518","","","0.0919","0.1106","","","","","","0.998","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571166","9.955","0.0003","10.006","0.0003","11.332","0.0004","89.415","0.0014","78.013","0.0014","78.901","0.0014","1082.99","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","4-Fluoro-2-(phenylamino)benzoic acid","","- C13 H10 F N O2 -","- C13 H10 F N O2 -","- C52 H40 F4 N4 O8 -","4","2","HB4457","Li, Jingxi; Long, Sihui","4-Fluoro-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240197","","10.1107/S2414314624001974","","","0.71073","MoKα","","0.1177","0.0503","","","0.1068","0.1314","","","","","","0.944","","","","has coordinates","300370","2025-07-05","10:13:22",""
"1571167","5.3048","0.0003","5.3048","0.0003","11.4999","0.0009","90","","90","","90","","323.62","0.04","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","Neodymium(III) <i>ortho</i>-oxidotungstate(VI)","","- Nd0.67 O4 W -","- Nd0.6667 O4 W -","- Nd2.6668 O16 W4 -","4","0.25","WM4207","Knies, Benjamin; Hartenbach, Ingo","Crystal structure of defect scheelite-type Nd2/3[WO4]","IUCrData","2024","9","3","x240175","","10.1107/S2414314624001755","","","0.71073","MoKα","","0.0331","0.0224","","","0.0476","0.0499","","","","","","1.008","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571168","9.1051","0.0013","10.665","0.002","16.688","0.003","90","","102.16","0.02","90","","1584.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>erythro</i>-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","","- C16 H17 Br O2 S -","- C16 H17 Br O2 S -","- C64 H68 Br4 O8 S4 -","4","1","WM4209","Corfield, Peter W. R.","erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene","IUCrData","2024","9","3","x240189","","10.1107/S2414314624001895","","","1.5405","CuKα","","0.0505","0.0375","","","0.0948","0.1025","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571169","11.5962","0.0004","18.4606","0.0005","7.8973","0.0002","90","","106.532","0.007","90","","1620.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>S</i>-octyl 3-(2-methylpropylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]nickel(II)","","- C26 H50 N4 Ni S4 -","- C26 H50 N4 Ni S4 -","- C52 H100 N8 Ni2 S8 -","2","0.5","WM4208","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)","IUCrData","2024","9","3","x240186","","10.1107/S241431462400186X","","","0.71075","MoKα","","0.0549","0.0359","","","0.0672","0.0723","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571170","15.2054","0.0003","3.8818","0.0001","19.8109","0.0004","90","","107.039","0.001","90","","1118","0.04","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Bromo-2-(phenylamino)benzoic acid","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C52 H40 Br4 N4 O8 -","4","1","HB4456","Kang, Liping; Long, Sihui","5-Bromo-2-(phenylamino)benzoic acid","IUCrData","2024","9","3","x240198","","10.1107/S2414314624001986","","","0.71073","MoKα","","0.0472","0.0378","","","0.1163","0.1304","","","","","","1.207","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571171","8.3125","0.0001","18.9072","0.0004","15.7906","0.0003","90","","90.617","0.002","90","","2481.6","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>cis</i>,<i>cis</i>-Dichloridobis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine-κ<i>N</i>^1^)bis(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C18 H32 Cl2 N4 O2 Ru S2 -","- C18 H32 Cl2 N4 O2 Ru S2 -","- C72 H128 Cl8 N16 O8 Ru4 S8 -","4","1","BH4082","Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.","cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)","IUCrData","2024","9","3","x240191","","10.1107/S2414314624001913","","","0.71073","MoKα","","0.0623","0.0484","","","0.135","0.1481","","","","","","1.085","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","x240207","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571265","6.7236","0.0005","7.2935","0.0005","16.1649","0.0011","77.57","0.006","80.354","0.005","89.412","0.006","762.9","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","{<i>N</i>-[1-(2-Oxidophenyl)ethylidene]-<i>DL</i>-alaninato}(pentane-1,5-diyl)silicon(IV)","","- C16 H21 N O3 Si -","- C16 H21 N O3 Si -","- C32 H42 N2 O6 Si2 -","2","1","TK4102","Böhme, Uwe; Fels, Sabine","{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)","IUCrData","2024","9","3","x240228","","10.1107/S2414314624002281","","","0.71073","MoKα","","0.0563","0.0418","","","0.0982","0.1066","","","","","","1.098","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571266","10.3048","0.0002","24.114","0.0006","12.6416","0.0004","90","","100.911","0.003","90","","3084.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ^2^<i>N</i>:<i>N</i>)(2,3-diethyl-7,8-dimethylquinoxaline-κ<i>N</i>)-μ-nitrato-κ^2^<i>O</i>:<i>O</i>'-nitrato-κ^2^<i>O</i>,<i>O</i>'-disilver(I)]","","- C28 H36 Ag2 N6 O6 -","- C28 H36 Ag2 N6 O6 -","- C112 H144 Ag8 N24 O24 -","4","1","ZL4069","Crundwell, Guy; Leeds, Ashley","Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","IUCrData","2024","9","3","x240247","","10.1107/S2414314624002475","","x-ray","0.71073","MoKα","","0.0793","0.0387","","","0.0798","0.0956","","","","","","1.003","","","","has coordinates,has disorder","300370","2025-07-05","10:13:23",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","x240222","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:23",""
"1571268","7.6288","0.0003","8.753","0.0004","9.3794","0.0004","90.707","0.004","106.138","0.004","114.285","0.005","542.62","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Dibromidotetrakis(5-methyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)\ manganese(II)","","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","- C16 H24 Br2 Mn N8 -","1","0.5","ZL4064","Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan","trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)","IUCrData","2024","9","3","x240237","","10.1107/S2414314624002372","","","0.71073","MoKα","","0.0462","0.0318","","","0.061","0.064","","","","","","1.037","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571269","6.7949","0.0002","6.9491","0.0002","16.708","0.0008","89.525","0.003","82.547","0.003","82.347","0.003","775.26","0.05","125","","125","","","","","","","","","6","P -1","-P 1","2","","4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","","- C16 H12 F N3 O S2 -","- C16 H12 F N3 O S2 -","- C32 H24 F2 N6 O2 S4 -","2","1","HB4466","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","IUCrData","2024","9","3","x240235","","10.1107/S2414314624002359","","x-ray","1.54184","CuKα","","0.131","0.1056","","","0.2397","0.268","","","","","","1.003","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","x240234","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","300370","2025-07-05","10:13:24",""
"1571312","26.718","0.004","9.8834","0.0013","20.648","0.003","90","","90","","90","","5452.4","1.3","125","2","125","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","","- C50 H56 F12 N10 O3 P2 Ru -","- C50 H56 F12 N10 O3 P2 Ru -","- C200 H224 F48 N40 O12 P8 Ru4 -","4","1","BT4148","Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.","Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate","IUCrData","2024","9","3","x240269","","10.1107/S2414314624002694","","","0.71073","MoKα","","0.1046","0.092","","","0.1934","0.1987","","","","","","1.184","","","","has coordinates","300370","2025-07-05","10:13:24",""
"1571470","22.0407","0.0006","12.4642","0.0003","18.0706","0.0005","90","","107.495","0.001","90","","4734.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ethidium benzoate methanol monosolvate","8-Amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C232 H232 N24 O24 -","8","1","TK4103","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium benzoate methanol monosolvate","IUCrData","2024","9","4","x240302","","10.1107/S241431462400302X","","","0.71069","MoKα","","0.0688","0.0532","","","0.139","0.1504","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:29",""
"1571493","10.056","0.0006","21.3696","0.0009","12.5648","0.0006","90","","100.161","0.002","90","","2657.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","","- C26.33 H28.65 N8 Ni O S2 -","- C26.328 H28.656 N8 Ni O S2 -","- C105.312 H114.624 N32 Ni4 O4 S8 -","4","1","BH4083","Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti","mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate","IUCrData","2024","9","4","x240339","","10.1107/S2414314624003390","","","0.71073","MoKα","","0.0385","0.0355","","","0.0808","0.0825","","","","","","1.081","","","","has coordinates,has disorder","300370","2025-07-05","10:13:31",""
"1571494","7.08","0.0003","10.6304","0.0003","11.065","0.0003","89.715","0.002","79.711","0.003","89.598","0.002","819.37","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-EtPyBdanI","1-Ethyl-4-(1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2(3<i>H</i>)-yl)pyridin-1-ium iodide","","- C17 H17 B I N3 -","- C17 H17 B I N3 -","- C34 H34 B2 I2 N6 -","2","1","BX4026","Hashimoto, Shu; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide","IUCrData","2024","9","4","x240362","","10.1107/S2414314624003626","","x-ray","0.71073","MoKα","","0.0226","0.02","","","0.0513","0.0521","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571495","25.8993","0.0007","6.6206","0.0002","13.4938","0.0003","90","","96.425","0.002","90","","2299.23","0.11","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","(<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","","- C21 H25 Br2 N3 Pd S -","- C21 H25 Br2 N3 Pd S -","- C84 H100 Br8 N12 Pd4 S4 -","4","1","ZL4070","Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru","(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide","IUCrData","2024","9","4","x240360","","10.1107/S2414314624003602","","x-ray","1.54184","CuKα","","0.0336","0.0299","","","0.0698","0.0723","","","","","","1.036","","","","has coordinates","300370","2025-07-05","10:13:32",""
"1571496","8.8428","0.0005","9.2779","0.0006","9.9343","0.0004","79.126","0.004","82.732","0.004","67.279","0.006","736.99","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Poly[3-methylpyridinium [(μ~2~-dihydrogen phosphito)bis(μ~3~-hydrogen phosphito)dizinc]]","","- C6 H12 N O9 P3 Zn2 -","- C6 H12 N O9 P3 Zn2 -","- C12 H24 N2 O18 P6 Zn4 -","2","1","TK4104","Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.","Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]","IUCrData","2024","9","4","x240345","","10.1107/S2414314624003456","","","0.71073","MoKα","","0.0735","0.0501","","","0.1254","0.1342","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:13:33",""
"1571497","25.6112","0.0006","9.7565","0.0002","10.3664","0.0002","90","","95.169","0.002","90","","2579.78","0.09","100.01","0.1","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Germacrone","(3<i>E</i>,7<i>E</i>)-3,7-Dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one","","- C15 H22 O -","- C15 H22 O -","- C120 H176 O8 -","8","1","WM4211","Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan","Redetermination of germacrone type II based on single-crystal X-ray data","IUCrData","2024","9","4","x240346","","10.1107/S2414314624003468","","","1.54184","CuKα","","0.0344","0.0289","","","0.0733","0.0768","","","","","","1.0708","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571498","15.862","0.001","6.0503","0.0004","19.064","0.0012","90","","105.287","0.003","90","","1764.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,2'<i>E</i>)-1,1'-([1,1'-Biphenyl]-4,4'-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","BX4027","Minagawa, Tomohiro; Sadakiyo, Masaaki","(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]","IUCrData","2024","9","4","x240358","","10.1107/S2414314624003584","","","0.71069","MoKα","","0.0909","0.0632","","","0.1308","0.154","","","","","","1.076","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571499","6.7497","0.0009","52.478","0.007","18.832","0.003","90","","90","","90","","6670.5","1.6","130","2","130","2","","","","","","","","5","F d d 2","F 2 -2d","43","23007z","13-Nitrobenzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenoxazine","","- C22 H11 N3 O3 S -","- C22 H11 N3 O3 S -","- C352 H176 N48 O48 S16 -","16","1","NX4001","Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad","13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine","IUCrData","2024","9","4","x240299","","10.1107/S2414314624002992","","","0.71073","MoKα","","0.0366","0.0327","","","0.0841","0.087","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:13:34",""
"1571500","6.746","0.002","23.041","0.007","10.939","0.003","90","","97.616","0.005","90","","1685.3","0.9","93","2","93.35","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-2,3-Dihydronaphtho[1,8-<i>de</i>][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","","- C17 H19 B I N3 O -","- C17 H19 B I N3 O -","- C68 H76 B4 I4 N12 O4 -","4","1","HB4467","Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa","4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate","IUCrData","2024","9","4","x240369","","10.1107/S2414314624003699","","","0.71075","MoKα","","0.0318","0.0264","","","0.0529","0.0555","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571501","8.3455","0.0003","19.2331","0.0006","11.0134","0.0003","90","","102.491","0.003","90","","1725.92","0.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-<i>b</i>]pyrazine]silver(I) perchlorate methanol disolvate","","- C32 H26 Ag Cl N6 O6 S4 -","- C32 H26 Ag Cl N6 O6 S4 -","- C64 H52 Ag2 Cl2 N12 O12 S8 -","2","1","ZL4071","Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.","Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate","IUCrData","2024","9","4","x240344","","10.1107/S2414314624003444","","x-ray","0.71073","MoKα","","0.0739","0.0408","","","0.0821","0.0951","","","","","","1.014","","","","has coordinates,has disorder","300370","2025-07-05","10:13:35",""
"1571515","11.7365","0.0005","3.8149","0.0002","35.726","0.0015","90","","97.669","0.002","90","","1585.27","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","24047z","Benzo[<i>a</i>][1,4]benzothiazino[3,2-<i>c</i>]phenothiazine","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","1","OI4001","Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.","Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine","IUCrData","2024","9","4","x240357","","10.1107/S2414314624003572","","","0.71073","MoKα","","0.0564","0.0466","","","0.1111","0.1163","","","","","","1.059","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571673","4.6536","0.0003","8.2542","0.0003","13.682","0.0006","78.092","0.004","82.801","0.004","85.469","0.004","509.42","0.04","298","","298","","","","","","","","","6","P -1","-P 1","2","","<i>trans</i>-Dichloridobis(secnidazole-κ<i>N</i>^3^)copper(II)","","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","- C14 H22 Cl2 Cu N6 O6 -","1","0.5","BX4028","Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain","trans-Dichloridobis(secnidazole-κN 3)copper(II)","IUCrData","2024","9","5","x240376","","10.1107/S2414314624003766","","x-ray","0.71073","MoKα","","0.0604","0.0413","","","0.0963","0.1075","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:13:35",""
"1571674","4.3286","0.0008","21.334","0.004","9.2941","0.0016","90","","93.744","0.004","90","","856.4","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-hydroxy-4-iodobenzoate","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","1","HB4468","Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.","Methyl 2-hydroxy-4-iodobenzoate","IUCrData","2024","9","5","x240394","","10.1107/S2414314624003948","","","0.71073","MoKα","","0.0349","0.0299","","","0.0559","0.0574","","","","","","1.111","","","","has coordinates","300370","2025-07-05","10:13:36",""
"1571679","9.8065","0.0002","12.5029","0.0003","16.1592","0.0003","90","","95.599","0.002","90","","1971.82","0.07","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)zinc(II) perchlorate","","- C14 H26 Cl F N6 O6 Zn -","- C14 H26 Cl F N6 O6 Zn -","- C56 H104 Cl4 F4 N24 O24 Zn4 -","4","1","BT4149","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","IUCrData","2024","9","5","x240431","","10.1107/S2414314624004310","","x-ray","1.54184","CuKα","","0.0645","0.0635","","","0.1773","0.1785","","","","","","1.106","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571706","7.2605","0.0009","10.4221","0.0014","14.668","0.002","90","","94.366","0.012","90","","1106.7","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')copper(II)","","- C8 H18 Cl Cu N O5 -","- C8 H18 Cl Cu N O5 -","- C32 H72 Cl4 Cu4 N4 O20 -","4","1","WM4213","Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain","Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)","IUCrData","2024","9","5","x240439","","10.1107/S2414314624004395","","","0.71073","MoKα","","0.0655","0.0475","","","0.1144","0.1299","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571764","10.6769","0.0003","17.9611","0.0005","7.0266","0.0002","90","","90","","90","","1347.48","0.07","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-Oxo-2<i>H</i>-chromen-4-yl 3,3-dimethylbutanoate","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","HB4474","Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye","2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","IUCrData","2024","9","5","x240494","","10.1107/S2414314624004942","","","1.54184","CuKα","","0.032","0.0305","","","0.0823","0.0841","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:13:37",""
"1571765","13.0619","0.0017","7.6891","0.001","20.475","0.003","90","","106.809","0.014","90","","1968.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(10-Bromoanthracen-9-yl)-<i>N</i>-phenylaniline","","- C26 H18 Br N -","- C26 H18 Br N -","- C104 H72 Br4 N4 -","4","1","HB4471","Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria","2-(10-Bromoanthracen-9-yl)-N-phenylaniline","IUCrData","2024","9","5","x240475","","10.1107/S2414314624004759","","","0.71073","MoKα","","0.0677","0.0494","","","0.118","0.1293","","","","","","1.046","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571766","5.2598","0.0008","5.2598","0.0008","15.778","0.003","90","","90","","120","","378.03","0.11","300","2","300","2","","","","","","","","4","R -3 :H","-R 3","148","","Trisodium iron(III) ditellurium(VI) nonaoxide","","- Fe0.6666 Na2 O6 Te1.3333 -","- Fe0.6666 Na2 O6 Te1.3334 -","- Fe1.9998 Na6 O18 Te4.0002 -","3","0.166667","","Eder, Felix; Weil, Matthias","Ilmenite-type Na2(Fe2/3Te4/3)O6","IUCrData","2024","9","5","x240482","","10.1107/S2414314624004826","","","0.71073","MoKα","","0.0326","0.0266","","","0.0642","0.0658","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571767","4.8838","0.0002","18.3867","0.0007","5.1522","0.0002","90","","110.325","0.0016","90","","433.85","0.03","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-Carboxyethyl <i>L</i>-cysteinyl sulfone","(2<i>S</i>)-2-Azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C12 H22 N2 O12 S2 -","2","1","PK4044","Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.","(S)-2-Carboxyethyl L-cysteinyl sulfone","IUCrData","2024","9","5","x240480","","10.1107/S2414314624004802","","","0.71073","MoKα","","0.019","0.0189","","","0.0508","0.0508","","","","","","1.102","","","","has coordinates","300370","2025-07-05","10:13:38",""
"1571768","14.21628","0.00018","20.7477","0.0002","18.221","0.0002","90","","110.078","0.0015","90","","5047.74","0.11","130","0.2","130","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octakis(dibutylammonium) decamolybdate(VI)","","- C64 H160 Mo10 N8 O34 -","- C64 H160 Mo10 N8 O34 -","- C128 H320 Mo20 N16 O68 -","2","0.5","WM4210","Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu","Octakis(dibutylammonium) decamolybdate(VI)","IUCrData","2024","9","5","x240463","","10.1107/S2414314624004632","","x-ray","1.54184","CuKα","","0.0507","0.0452","","","0.1153","0.1194","","","","","","1.024","","","","has coordinates,has disorder","300370","2025-07-05","10:13:40",""
"1571769","13.7","0.0006","13.7","0.0006","8.7123","0.0005","90","","90","","90","","1635.21","0.14","170","2","170","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Tetrakis(2,4,6-trimethylanilido)tin(IV)","","- C36 H48 N4 Sn -","- C36 H48 N4 Sn -","- C72 H96 N8 Sn2 -","2","0.25","WM4214","Lämmer, Christian; Merzweiler, Kurt","Tetrakis(2,4,6-trimethylanilido)tin(IV)","IUCrData","2024","9","5","x240479","","10.1107/S2414314624004796","","","0.71073","MoKα","","0.0242","0.0224","","","0.0558","0.057","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:13:42",""
"1571777","11.2451","0.0014","14.4734","0.0017","15.232","0.002","90","","103.485","0.004","90","","2410.7","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]","","- C22.5 H23.5 Co N4.5 O6.5 S -","- C22.5 H23.5 Co N4.5 O6.5 S -","- C90 H94 Co4 N18 O26 S4 -","4","1","WM4212","Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen","Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]","IUCrData","2024","9","6","x240489","","10.1107/S2414314624004899","","","0.71073","MoKα","","0.0898","0.0531","","","0.129","0.1495","","","","","","1.036","","","","has coordinates,has disorder","300370","2025-07-05","10:13:50",""
"1571778","30.247","0.004","13.713","0.002","17.205","0.002","90","","90","","90","","7136.2","1.6","101.15","","101.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","","- C85 H62 Cl2 Mn N14 O4 -","- C85 H62 Cl2 Mn N14 O4 -","- C340 H248 Cl8 Mn4 N56 O16 -","4","1","HB4469","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","IUCrData","2024","9","6","x240497","","10.1107/S2414314624004978","","","0.71073","MoKα","","0.1065","0.0804","","","0.2106","0.2401","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:51",""
"1571779","23.1771","0.0019","12.7959","0.001","22.5404","0.0016","90","","100.332","0.003","90","","6576.5","0.9","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","","- C84 H52 Cl Fe N12 O4 -","- C84 H52 Cl Fe N12 O4 -","- C336 H208 Cl4 Fe4 N48 O16 -","4","0.5","HB4470","Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang","Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)","IUCrData","2024","9","6","x240496","","10.1107/S2414314624004966","","","0.71073","MoKα","","0.0422","0.0352","","","0.0819","0.0877","","","","","","1.074","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571806","14.1426","0.0003","12.3103","0.0003","18.8707","0.0003","90","","98.492","0.002","90","","3249.36","0.12","100","","100.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C34 H42 B F4 Ir N3 P -","- C34 H42 B F4 Ir N3 P -","- C136 H168 B4 F16 Ir4 N12 P4 -","4","2","HB4475","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","IUCrData","2024","9","6","x240501","","10.1107/S2414314624005017","","","0.71073","MoKα","","0.031","0.0272","","","0.065","0.0662","","","","","","1.083","","","","has coordinates,has disorder","300370","2025-07-05","10:13:53",""
"1571807","18.1245","0.0016","11.6689","0.001","26.067","0.002","90","","90.332","0.002","90","","5512.9","0.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","","- C63 H70 B2 Co N6 -","- C63 H70 B2 Co N6 -","- C252 H280 B8 Co4 N24 -","4","1","BX4029","Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon","Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","IUCrData","2024","9","6","x240539","","10.1107/S241431462400539X","","","0.71073","MoKα","","0.0897","0.0562","","","0.0971","0.1069","","","","","","1.142","","","","has coordinates","300370","2025-07-05","10:13:53",""
"1571941","7.55855","0.00008","12.16674","0.00013","16.00467","0.00017","90","","94.7152","0.001","90","","1466.85","0.03","290","2","290","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","","- C28 H30 N2 O12 S2 -","- C28 H30 N2 O12 S2 -","- C56 H60 N4 O24 S4 -","2","0.5","WM4216","Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudaynazarovich; Alimnazarov, Bekmurod Khurramovich; Suyunov, Jabbor Ruziboevich; Umirova, Gulnora Abdurakhmonovna; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich","Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","IUCrData","2024","9","6","x240570","","10.1107/S2414314624005704","","x-ray","1.54184","CuKα","","0.0328","0.0307","","","0.0869","0.0886","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:55",""
"1571964","7.3673","0.0003","11.2285","0.0004","12.5778","0.0005","104.974","0.004","101.964","0.004","103.46","0.004","937.1","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","6-[4-(<i>tert</i>-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","","- C19 H30 O2 Si -","- C19 H30 O2 Si -","- C38 H60 O4 Si2 -","2","1","HB4478","Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.","6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","IUCrData","2024","9","6","x240590","","10.1107/S241431462400590X","","x-ray","1.54184","CuKα","","0.0484","0.0457","","","0.1276","0.1312","","","","","","1.097","","","","has coordinates","300370","2025-07-05","10:14:04",""
"1572024","21.5659","0.0003","21.5659","0.0003","5.0863","0.0001","90","","90","","90","","2365.58","0.07","100","0.1","100","0.1","","","","","","","","4","I -4","I -4","82","3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene","2-(Pyridin-4-yl)-2,3-dihydro-1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinine","","- C15 H12 B N3 -","- C15 H12 B N3 -","- C120 H96 B8 N24 -","8","1","BX4031","Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa","2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine","IUCrData","2024","9","6","x240615","","10.1107/S2414314624006151","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0803","0.0825","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:14:16",""
"1572025","12.1954","0.0006","15.2657","0.0007","39.03","0.0016","90","","95.5629","0.0016","90","","7232","0.6","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Diaquatetrakis(tetrahydrofuran-κ<i>O</i>)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 <i>Ga</i>–<i>Fe</i>)(<i>Fe</i>–<i>Fe</i>) tetrahydrofuran tetrasolvate","","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C49 H74 Cl4 Fe5 Ga4 O27 Si -","- C196 H296 Cl16 Fe20 Ga16 O108 Si4 -","4","1","BT4151","Demmin, Mary Elizabeth; Bauer, Cary; Ruf, Michael; Harakas, George N.","trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate","IUCrData","2024","9","6","x240620","","10.1107/S2414314624006205","","","0.71073","MoKa","","0.0568","0.0406","","","0.093","0.1004","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:18",""
"1572026","3.7474","0.0002","11.6254","0.0006","13.7771","0.0008","68.407","0.005","85.779","0.004","89.843","0.004","556.37","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1,2,4,5-Tetrahydroxybenzene","Benzene-1,2,4,5-tetrol","","- C6 H6 O4 -","- C6 H6 O4 -","- C24 H24 O16 -","4","2","BX4030","Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.","Benzene-1,2,4,5-tetrol","IUCrData","2024","9","6","x240612","","10.1107/S2414314624006126","","x-ray","1.54184","CuKα","","0.0521","0.0445","","","0.1263","0.1327","","","","","","1.087","","","","has coordinates","300370","2025-07-05","10:14:27",""
"1572119","9.681","0.002","18.411","0.004","13.163","0.003","90","","90","","90","","2346.1","0.9","223","2","223.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[μ~3~-2-(benzotriazol-1-yl)acetato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>^3^]chlorido(ethanol-κ<i>O</i>)cobalt(II)]","","- C10 H12 Cl Co N3 O3 -","- C10 H12 Cl Co N3 O3 -","- C80 H96 Cl8 Co8 N24 O24 -","8","1","HB4477","Zheng, Yun-Yun; Su, De-Sen; Yao, Qing-Hua; Huang, Min-Min","Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3 O:O′:N 3]chlorido(ethanol-κO)cobalt(II)]","IUCrData","2024","9","7","x240630","","10.1107/S2414314624006308","","","0.71073","MoKα","","0.0564","0.0447","","","0.1156","0.1201","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:14:30",""
"1572122","13.1598","0.0006","9.7142","0.0004","15.3369","0.0007","90","","115.257","0.001","90","","1773.19","0.14","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-1κ^2^<i>C</i>-μ-chlorido-2:3κ^2^<i>Cl</i>:<i>Cl</i>-pentachlorido-2κ^2^<i>Cl</i>,3κ^3^<i>Cl</i>-[1(η^6^)-toluene]digallium(III)ruthenium(I)(<i>Ru</i>—<i>Ga</i>)","","- C9 H8 Cl6 Ga2 O2 Ru -","- C9 H8 Cl6 Ga2 O2 Ru -","- C36 H32 Cl24 Ga8 O8 Ru4 -","4","1","BT4152","Smith, Danielle; Harakas, George N.","Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)","IUCrData","2024","9","7","x240657","","10.1107/S2414314624006576","","","0.71073","MoKa","","0.0182","0.0163","","","0.0405","0.0411","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:34",""
"1572128","15.9086","0.0001","7.8088","0.0001","19.5342","0.0002","90","","106.157","0.001","90","","2330.83","0.04","92.95","","92.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","","- C23 H30 Cl N5 O3 Zn -","- C23 H30 Cl N5 O3 Zn -","- C92 H120 Cl4 N20 O12 Zn4 -","4","1","WM4217","Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa","[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","IUCrData","2024","9","7","x240665","","10.1107/S2414314624006655","","","1.54184","CuKα","","0.0427","0.0414","","","0.1093","0.1101","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:14:36",""
"1572129","22.5897","0.0014","7.51","0.0004","16.3743","0.001","90","","94.716","0.002","90","","2768.5","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^3^<i>O</i>'',<i>N</i>',<i>O</i>'''-bis[trioxidomolybdate(VI)] tetrahydrate","","- C14 H40 Mo2 N6 O18 -","- C14 H40 Mo2 N6 O18 -","- C56 H160 Mo8 N24 O72 -","4","0.5","BH4085","Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir","Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate","IUCrData","2024","9","7","x240667","","10.1107/S2414314624006679","","","0.71073","MoKα","","0.0254","0.0223","","","0.0575","0.0597","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572135","10.2505","0.0004","18.6165","0.0009","10.6345","0.0005","90","","96.388","0.004","90","","2016.77","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H42 Cl2 N2 O2 Pd -","- C44 H42 Cl2 N2 O2 Pd -","- C88 H84 Cl4 N4 O4 Pd2 -","2","1","BX4025","Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.","Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)","IUCrData","2024","9","7","x240555","","10.1107/S2414314624005558","","","0.71073","MoKα","","0.081","0.0405","","","0.0643","0.0766","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572159","9.6253","0.0001","13.6771","0.0002","13.7938","0.0002","76.41","0.001","83.455","0.001","80.345","0.001","1734.78","0.04","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","","- C16 H27 Cl N3 Rh -","- C16 H27 Cl N3 Rh -","- C64 H108 Cl4 N12 Rh4 -","4","2","BT4153","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2024","9","7","x240704","","10.1107/S2414314624007041","","","0.71073","MoKα","","0.0284","0.0252","","","0.0648","0.0663","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572202","6.5669","0.0018","9.414","0.003","27.57","0.009","90","","90","","90","","1704.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^6^-Benzene)chlorido[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","","- C18 H20 Cl N O2 Ru -","- C18 H20 Cl N O2 Ru -","- C72 H80 Cl4 N4 O8 Ru4 -","4","1","ZL4075","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)","IUCrData","2024","9","7","x240720","","10.1107/S241431462400720X","","","0.71073","MoKα","","0.0712","0.0447","","","0.0793","0.0888","","","","","","0.975","","","","has coordinates","300370","2025-07-05","10:14:37",""
"1572246","10.0296","0.0003","10.3718","0.0003","18.1424","0.0004","99.27","0.002","93.906","0.002","118.766","0.003","1609.45","0.09","100","","100","0.3","","","","","","","","7","P 1","P 1","1","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H42 B F4 N3 P Rh -","- C34 H42 B F4 N3 P Rh -","- C68 H84 B2 F8 N6 P2 Rh2 -","2","2","TK4108","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2024","9","8","x240745","","10.1107/S2414314624007454","","","0.71073","MoKα","","0.0549","0.0487","","","0.1209","0.124","","","","","","1.032","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572306","14.7698","0.0007","6.673","0.0003","26.2392","0.0012","90","","102.231","0.005","90","","2527.4","0.2","305","","305","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(2-Phenylethyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","2","HB4476","Zhang, Kexin; Long, Sihui","4-[(2-Phenylethyl)amino]benzoic acid","IUCrData","2024","9","8","x240753","","10.1107/S2414314624007533","","x-ray","0.71073","MoKα","","0.0995","0.0582","","","0.1552","0.1754","","","","","","1.034","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572307","16.4966","0.0006","8.8166","0.0003","18.9475","0.0007","90","","99.265","0.002","90","","2719.85","0.17","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Pinaverium bromide","4-[(2-Bromo-4,5-dimethoxyphenyl)methyl]-4-{2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl}morpholin-4-ium bromide","","- C26 H41 Br2 N O4 -","- C26 H41 Br2 N O4 -","- C104 H164 Br8 N4 O16 -","4","2","BH4086","Rousselin, Yoann; Clavel, Alexandre","Pinaverium bromide","IUCrData","2024","9","8","x240653","","10.1107/S2414314624006539","","x-ray","1.54178","CuKα","","0.0258","0.0251","","","0.0623","0.0627","","","","","","1.039","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572308","10.0564","0.0005","3.9985","0.0002","28.2235","0.0014","90","","97.744","0.005","90","","1124.53","0.1","304.55","0.1","304.55","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Benzyloxy)benzoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","HB4473","Song, Qiuyi; Long, Sihui","Redetermined structure of 4-(benzyloxy)benzoic acid","IUCrData","2024","9","8","x240752","","10.1107/S2414314624007521","","x-ray","0.71073","MoKα","","0.0627","0.0442","","","0.1223","0.1352","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:38",""
"1572357","10.4032","0.0001","18.8988","0.0003","14.8277","0.0002","90","","101.382","0.001","90","","2857.91","0.07","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisobutylammonium triphenyl(2-thiolatoacetato-κ^2^<i>O</i>,<i>S</i>)stannate(IV)","","- C28 H37 N O2 S Sn -","- C28 H37 N O2 S Sn -","- C112 H148 N4 O8 S4 Sn4 -","4","1","TK4107","Song, Xueqing; Yeibyo, Woldegebriel; Li, William; Pike, Robert D.","Diisobutylammonium triphenyl(2-thiolatoacetato-κ2 O,S)stannate(IV)","IUCrData","2024","9","8","x240742","","10.1107/S2414314624007429","","","1.54178","CuKα","","0.0361","0.0317","","","0.0792","0.0819","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:14:38",""
"1572358","11.4514","0.0005","12.1629","0.0005","12.692","0.0005","67.9946","0.0013","67.3255","0.0014","65.8759","0.0014","1438.34","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridotetrakis(3-methoxyaniline)nickel(II)","","- C28 H36 Cl2 N4 Ni O4 -","- C28 H36 Cl2 N4 Ni O4 -","- C56 H72 Cl4 N8 Ni2 O8 -","2","1","","Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.","Dichloridotetrakis(3-methoxyaniline)nickel(II)","IUCrData","2024","9","8","x240776","","10.1107/S2414314624007764","","","0.71073","MoKα","","0.0722","0.0376","","","0.0765","0.0887","","","","","","1.006","","","","has coordinates","300370","2025-07-05","10:14:39",""
"1572377","6.6331","0.0003","7.5726","0.0003","24.6985","0.001","90","","97.141","0.004","90","","1230.98","0.09","125","","125","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl 2-[(<i>Z</i>)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C10 H8 Br N3 O S2 -","- C10 H8 Br N3 O S2 -","- C40 H32 Br4 N12 O4 S8 -","4","1","HB4481","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","8","x240787","","10.1107/S2414314624007879","","x-ray","1.54184","CuKα","","0.1143","0.0927","","","0.264","0.2933","","","","","","1.136","","","","has coordinates","300370","2025-07-05","10:14:40",""
"1572440","6.6241","0.0001","19.1629","0.0003","12.6062","0.0002","90","","93.136","0.001","90","","1597.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Norfloxacinium nitrate","4-(3-Carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium nitrate","","- C16 H19 F N4 O6 -","- C16 H19 F N4 O6 -","- C64 H76 F4 N16 O24 -","4","1","HB4480","Rasulov, Abdusamat; Torambetov, Batirbay; Alimnazarov, Bekmurod; Kadirova, Shakhnoza; Suyunov, Jabbor; Nazarov, Yusufjon; Ashurov, Jamshid","Norfloxacinium nitrate","IUCrData","2024","9","8","x240813","","10.1107/S2414314624008137","","x-ray","1.54184","CuKα","","0.0522","0.0455","","","0.12","0.1262","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:14:41",""
"1572441","11.1008","0.0002","14.9561","0.0003","12.7221","0.0002","90","","91.486","0.001","90","","2111.47","0.07","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","","- C26 H57 Cu6 N11 O7 -","- C26 H57 Cu6 N11 O7 -","- C52 H114 Cu12 N22 O14 -","2","1","BH4088","Corfield, Peter W. R.; Salvi, Paul","Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","IUCrData","2024","9","8","x240845","","10.1107/S2414314624008459","","","0.7107","MoKα","","0.0641","0.0303","","","0.0747","0.0938","","","","","","1.126","","","","has coordinates,has disorder","300370","2025-07-05","10:14:44",""
"1572442","5.8868","0.0002","8.8927","0.0004","22.8226","0.0009","90","","90","","90","","1194.75","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pyridinium tosylate","Pyridinium 4-methylbenzenesulfonate","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","HB4482","Hosten, Eric Cyriel; Betz, Richard","Pyridinium tosylate","IUCrData","2024","9","8","x240831","","10.1107/S2414314624008319","","","0.71073","MoKα","","0.0275","0.0266","","","0.0706","0.0715","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572443","11.1045","0.0007","9.1489","0.0006","15.8088","0.0011","90","","92.21","0.001","90","","1604.88","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","nickel-3(pyridin-2-ylpyrazolyl)3,5-dimethylpyrazole acetate","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1<i>H</i>-pyrazole)nickel(II)]","","- C30 H34 N10 Ni2 O4 -","- C30 H34 N10 Ni2 O4 -","- C60 H68 N20 Ni4 O8 -","2","0.5","ZL4073","Pilavadi, Thangamuniyandi; Krishnan, Soundararajan; Loganathan, Nagarajan","Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]","IUCrData","2024","9","8","x240810","","10.1107/S2414314624008101","","","0.71073","MoKα","","0.0327","0.03","","","0.0778","0.0794","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:14:44",""
"1572444","8.322","0.0004","9.2704","0.0004","9.4248","0.0004","108.101","0.002","99.515","0.002","99.749","0.002","662.46","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","- C20 H20 Cl6 N2 O6 Sn -","1","0.5","WM4218","Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine","Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate","IUCrData","2024","9","8","x240826","","10.1107/S2414314624008265","","","0.71073","MoKα","","0.0132","0.0127","","","0.0325","0.033","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572540","7.3526","0.001","8.3354","0.0013","10.4053","0.0017","97.221","0.006","102.413","0.006","111.334","0.005","565.36","0.15","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-[(8-aminoquinoline)cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","","- C9 H8 Co N8 -","- C9 H8 Co N8 -","- C18 H16 Co2 N16 -","2","1","BT4154","Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak","catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]","IUCrData","2024","9","9","x240849","","10.1107/S2414314624008496","","","0.71073","MoKα","","0.0361","0.0314","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572541","9.342","0.003","10.524","0.003","11.967","0.004","73.831","0.01","79.643","0.011","72.648","0.01","1072.6","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)prop-2-en-1-one","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","HB4483","Sung, Jiha","(E)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one","IUCrData","2024","9","9","x240866","","10.1107/S2414314624008666","","","0.71073","MoKα","","0.0595","0.0443","","","0.1065","0.1154","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:14:45",""
"1572564","12.7605","0.0002","22.4142","0.0004","25.0233","0.0004","90","","93.055","0.001","90","","7146.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylideneκ<i>C</i>]silver(I)} chloride 1,2-dichloroethane hemisolvate","","- C77 H82 Ag2 Cl3 N8 -","- C77 H82 Ag2 Cl3 N8 -","- C308 H328 Ag8 Cl12 N32 -","4","1","ZL4077","Malek, Kotiba; Arumugam, Kuppuswamy","μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","IUCrData","2024","9","9","x240861","","10.1107/S2414314624008617","","","1.54178","CuKα","","0.039","0.0365","","","0.0903","0.0929","","","","","","1.059","","","","has coordinates,has disorder","300370","2025-07-05","10:14:45",""
"1572653","15.3094","0.0013","15.3094","0.0013","15.315","0.002","90","","90","","90","","3589.5","0.6","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","Δ-Bis[(<i>S</i>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>^1^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(III) hexafluoridophosphate","","- C36 H36 F6 N4 O4 P Ru -","- C36 H36 F6 N4 O4 P Ru -","- C144 H144 F24 N16 O16 P4 Ru4 -","4","0.5","WM4221","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate","IUCrData","2024","9","9","x240893","","10.1107/S2414314624008939","","","0.71073","MoKα","","0.0569","0.038","","","0.0968","0.1073","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572654","7.341","0.0001","7.341","0.0001","64.8549","0.0013","90","","90","","90","","3495.05","0.1","150","0.1","150","0.1","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","(1<i>R</i>,2<i>S</i>,4a<i>R</i>,6<i>S</i>,8<i>R</i>,8a<i>S</i>)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","1","BV4052","Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.","(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid","IUCrData","2024","9","9","x240885","","10.1107/S241431462400885X","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.0966","0.0973","","","","","","1.131","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572655","8.2105","0.0003","14.4478","0.0006","15.2042","0.0008","90","","101.694","0.002","90","","1766.14","0.14","302","2","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis[(2,2'-dipyridylamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] trihydrate","Di-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^6^,<i>O</i>^6'^-bis{[<i>N</i>-(pyridin-2-yl-κ<i>N</i>)pyridin-2-amine-κ<i>N</i>^1^]zinc(II)} trihydrate","","- C32 H40 N6 O11 Zn2 -","- C32 H40 N6 O11 Zn2 -","- C64 H80 N12 O22 Zn4 -","2","0.5","WM4220","Setifi, Fatima; Setifi, Zouaoui; Pham Chien, Thang; Al-Douh, Mohammad Hadi; Addala, Abderezak","Di-μ-adipato-κ4 O 1,O 1′:O 6,O 6′-bis[(2,2′-dipyridylamine-κ2 N,N′)zinc(II)] trihydrate","IUCrData","2024","9","9","x240906","","10.1107/S2414314624009064","","","0.71073","MoKα","","0.0856","0.0435","","","0.0883","0.1023","","","","","","1.02","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572656","6.9208","0.0004","13.2576","0.0008","14.5513","0.0009","110.068","0.003","90.497","0.003","100.082","0.003","1231.29","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diytterbium enneaoxidotritellurate(IV)","","- O9 Te3 Yb2 -","- O9 Te3 Yb2 -","- O54 Te18 Yb12 -","6","3","WM4219","Höss, Patrick; Chou, Sheng-Chun; Russ, Philip L.; Locke, Ralf J. C.; Schleid, Thomas","C-type Yb2Te3O9","IUCrData","2024","9","9","x240888","","10.1107/S2414314624008885","","","0.71069","MoKα","","0.0419","0.0325","","","0.0618","0.0651","","","","","","1.055","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572657","11.9299","0.0008","21.6278","0.0017","8.2665","0.0006","90","","108.251","0.006","90","","2025.6","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-[2'(2''-Methoxycarbonylethyl)-1',3',5',7'-tetramethyl-4',4'-difluoro-4'-bora-3a',4a'-diaza-s-indacen-6'-yl]propionic acid methyl ester","Methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-<i>s</i>-indacen-6-yl}propionate","","- C21 H27 B F2 N2 O4 -","- C21 H27 B F2 N2 O4 -","- C84 H108 B4 F8 N8 O16 -","4","1","HB4485","Schollmeyer, Dieter; Jochen, Matthias; Detert, Heiner","Redetermined structure of methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacen-6-yl}propionate","IUCrData","2024","9","9","x240884","","10.1107/S2414314624008848","","","0.71073","MoKα","","0.1757","0.0895","","","0.1824","0.2379","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572725","11.323","0.004","11.323","0.004","11.323","0.004","90","","90","","90","","1451.7","0.9","296","2","296","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Tetratitanium diiron carbide oxide","","- C0.82 Fe2 O0.18 Ti4 -","- C0.82 Fe2 O0.18 Ti4 -","- C13.12 Fe32 O2.88 Ti64 -","16","0.0833333","WM5714","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Ti4Fe2C0.82O0.18","IUCrData","2024","9","9","x240890","","10.1107/S2414314624008903","","","0.71073","MoKα","","0.0399","0.0218","","","0.0371","0.0399","","","","","","1.142","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572726","13.19118","0.00017","13.558","0.0002","38.8216","0.0007","90","","91.4236","0.0014","90","","6940.95","0.18","100","","100","0.4","","","","","","","","8","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","","- C34.5 H43 B Cl F4 Ir N3 P -","- C34.5 H43 B Cl F4 Ir N3 P -","- C276 H344 B8 Cl8 F32 Ir8 N24 P8 -","8","2","TK4109","Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","IUCrData","2024","9","9","x240941","","10.1107/S2414314624009416","","","0.71073","MoKα","","0.0532","0.0506","","","0.1316","0.1331","","","","","","1.078","","","","has coordinates,has disorder","300370","2025-07-05","10:14:46",""
"1572727","10.373","0.004","5.1899","0.0014","7.557","0.003","90","","99.94","0.03","90","","400.7","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromoacetamide","","- C2 H4 Br N O -","- C2 H4 Br N O -","- C8 H16 Br4 N4 O4 -","4","1","BH4089","Schwarzer, Anke; Stapf, Manuel","2-Bromoacetamide","IUCrData","2024","9","9","x240863","","10.1107/S2414314624008630","","x-ray","0.71073","MoKα","","0.0362","0.0275","","","0.0654","0.0682","","","","","","1.044","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572816","4.9897","0.0004","21.8014","0.0019","11.3394","0.0009","90","","92.995","0.008","90","","1231.84","0.18","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","HB4486","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate","IUCrData","2024","9","10","x240967","","10.1107/S2414314624009672","","x-ray","1.54184","CuKα","","0.1403","0.0788","","","0.1493","0.1853","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572817","7.3781","0.0006","8.005","0.0006","12.1306","0.0008","90","","99.767","0.007","90","","706.07","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dimethylpiperazine-2,3-dione","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","HB4484","Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","1,4-Dimethylpiperazine-2,3-dione","IUCrData","2024","9","10","x240936","","10.1107/S2414314624009362","","","0.71073","MoKα","","0.0849","0.0634","","","0.1646","0.1814","","","","","","1.065","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572818","17.7036","0.0016","5.8468","0.0006","31.418","0.003","90","","90","","90","","3252.1","0.5","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","HB4487","Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.","4-Bromo-N,N′-diphenylbenzimidamide N′-oxide","IUCrData","2024","9","10","x240968","","10.1107/S2414314624009684","","x-ray","1.34139","GaKα","","0.078","0.055","","","0.1396","0.1581","","","","","","1.071","","","","has coordinates","300370","2025-07-05","10:14:46",""
"1572954","6.5088","0.0006","5.1758","0.0005","12.2175","0.0014","90","","101.649","0.01","90","","403.11","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Chloro-<i>N</i>-(4-hydroxyphenyl)acetamide","","- C8 H8 Cl N O2 -","- C8 H8 Cl N O2 -","- C16 H16 Cl2 N2 O4 -","2","1","TK4111","El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef","","IUCrData","2024","9","10","x241015","","10.1107/S2414314624010150","","","0.71073","MoKα","","0.06","0.039","","","0.0694","0.0809","","","","","","1.061","","","","has coordinates","300305","2025-07-03","09:18:37",""
"1572955","16.565","0.002","9.7051","0.0013","19.708","0.003","90","","99.376","0.007","90","","3126","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>meso</i>-5,15-Bis[3-(isopropylidenegalactopyranoxy)phenyl]-\ 10,20-bis(4-methylphenyl)porphyrin","<i>meso</i>-5,15-Bis{4-[{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl)methoxy]phenyl}-10,20-bis(4-methylphenyl)porphyrin","","- C70 H70 N4 O12 -","- C70 H70 N4 O12 -","- C140 H140 N8 O24 -","2","1","BT4156","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","","IUCrData","2024","9","10","x241028","","10.1107/S2414314624010289","","","0.71075","MoKα","","0.235","0.0823","","","0.139","0.186","","","","","","0.93","","","","has coordinates","300305","2025-07-03","09:18:39",""
"1572956","10.1243","0.0004","23.941","0.001","7.5053","0.0003","90","","91.315","0.003","90","","1818.7","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-1-[(2-methoxyphenyl)amino]methanimine oxide","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","TK4110","Juma, David O.; Omondi, Bernard; Zamisa, Sizwe J.; Munzeiwa, Wisdom","","IUCrData","2024","9","10","x240988","","10.1107/S241431462400988X","","","0.71073","MoKα","","0.0747","0.0436","","","0.0954","0.1077","","","","","","1.033","","","","has coordinates","300305","2025-07-03","09:18:41",""
"1572990","20.5205","0.0009","8.1626","0.0003","9.4732","0.0004","90","","90.788","0.004","90","","1586.62","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","","- C14 H20 Cl N O5 -","- C14 H20 Cl N O5 -","- C56 H80 Cl4 N4 O20 -","4","1","BT4157","Schollmeyer, Dieter; Proz, Igor; Detert, Heiner","1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride","IUCrData","2024","9","10","x241032","","10.1107/S2414314624010320","","","0.71073","MoKα","","0.045","0.0375","","","0.0927","0.0995","","","","","","1.069","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572991","7.929","0.0007","15.3027","0.0015","10.0486","0.0006","90","","90","","90","","1219.25","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine","","- C12 H17 N3 -","- C12 H17 N3 -","- C48 H68 N12 -","4","1","HB4488","Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham","(1H-Benzodiazol-2-ylmethyl)diethylamine","IUCrData","2024","9","10","x241006","","10.1107/S241431462401006X","","","0.71073","MoKα","","0.139","0.0657","","","0.1101","0.1296","","","","","","1.181","","","","has coordinates,has disorder","300370","2025-07-05","10:14:47",""
"1572992","24.8929","0.0009","8.5889","0.0004","11.2678","0.0004","90","","103.026","0.0012","90","","2347.09","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzilic acid","2,2-Diphenyl-2-hydroxyethanoic acid","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","2","BT4158","Prinsloo, Petrus; Hosten, Eric Cyriel; Betz, Richard","Benzilic acid: a monoclinic polymorph","IUCrData","2024","9","10","x241039","","10.1107/S2414314624010393","","","0.71073","MoKα","","0.0973","0.0808","","","0.1571","0.1748","","","","","","1.267","","","","has coordinates","300370","2025-07-05","10:14:48",""
"1573077","7.5555","0.0009","15.7119","0.0017","7.4892","0.0008","90","","90","","90","","889.05","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3a<i>H</i>,4<i>H</i>,5<i>H</i>,8<i>H</i>,9<i>H</i>,9a<i>H</i>-Cycloocta[<i>d</i>][1,3]dioxole-2-thione","","- C9 H12 O2 S -","- C9 H12 O2 S -","- C36 H48 O8 S4 -","4","1","BT4155","Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner","3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione","IUCrData","2024","9","11","x241019","","10.1107/S2414314624010198","","","0.71073","MoKα","","0.1109","0.0698","","","0.1361","0.1594","","","","","","1.096","","","","has coordinates,has disorder","300370","2025-07-05","10:14:56",""
"1573078","8.6822","0.0002","10.0623","0.0002","16.5504","0.0004","77.201","0.001","84.053","0.001","73.839","0.001","1352.89","0.05","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","2","BH4090","Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","IUCrData","2024","9","11","x241049","","10.1107/S2414314624010496","","x-ray","0.71073","MoKα","","0.0611","0.0438","","","0.1147","0.1271","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:14:57",""
"1573079","7.5771","0.0005","21.128","0.0014","11.2665","0.0007","90","","95.835","0.002","90","","1794.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(4-chlorophenyl) phosphate","Tris(4-chlorophenyl) phosphate","","- C18 H12 Cl3 O4 P -","- C18 H12 Cl3 O4 P -","- C72 H48 Cl12 O16 P4 -","4","1","HB4490","Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard","Tris(4-chlorophenyl) phosphate","IUCrData","2024","9","11","x241061","","10.1107/S2414314624010617","","","0.71073","MoKα","","0.0443","0.0376","","","0.0912","0.0969","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:14:59",""
"1573080","47.848","0.005","14.2452","0.0014","27.679","0.002","90","","90","","90","","18866","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,4-Bis(neopentyloxy)pillar[5]arene","","- C95 H140 N2 O10 -","- C95 H140 N2 O10 -","- C760 H1120 N16 O80 -","8","0.5","BT4159","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system","IUCrData","2024","9","11","x241073","","10.1107/S2414314624010733","","","0.71075","MoKα","","0.1504","0.0678","","","0.1548","0.1921","","","","","","0.993","","","","has coordinates,has disorder","300370","2025-07-05","10:15:00",""
"1573175","7.8436","0.0003","13.8612","0.0004","25.8433","0.0007","90","","90","","90","","2809.73","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","","- C14 H8 Cl2 F3 N O -","- C14 H8 Cl2 F3 N O -","- C112 H64 Cl16 F24 N8 O8 -","8","1","PK4045","Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop","2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","IUCrData","2024","9","11","x241074","","10.1107/S2414314624010745","","","0.71073","MoKα","","0.0467","0.0362","","","0.1024","0.1112","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:15:01",""
"1573207","11.15335","0.00007","17.41068","0.00009","14.0624","0.00009","90","","108.155","0.0007","90","","2594.8","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>RS</i>,3<i>SR</i>,4<i>RS</i>)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C104 H136 N8 O40 -","8","2","HB4491","Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.","Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate","IUCrData","2024","9","11","x241088","","10.1107/S2414314624010885","","x-ray","1.54184","CuKα","","0.0385","0.0361","","","0.1051","0.107","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573208","9.4438","0.0004","7.9296","0.0003","18.6153","0.0008","90","","90","","90","","1394.02","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]","","- C14 H10 N2 S2 Sn -","- C14 H10 N2 S2 Sn -","- C56 H40 N8 S8 Sn4 -","4","0.5","TK4112","Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans","catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands","IUCrData","2024","9","11","x241093","","10.1107/S2414314624010939","","","0.71073","MoKα","","0.0252","0.0208","","","0.0516","0.0553","","","","","","1.08","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573209","7.9646","0.0006","17.083","0.0015","8.0572","0.0006","90","","111.425","0.006","90","","1020.5","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(10<i>Z</i>)-4<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>,8<i>H</i>,9<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole","","- C10 H14 N2 Se -","- C10 H14 N2 Se -","- C40 H56 N8 Se4 -","4","1","BT4160","Schollmeyer, Dieter; Detert, Heiner","(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole","IUCrData","2024","9","11","x241107","","10.1107/S2414314624011076","","","0.71073","MoKα","","0.0406","0.03","","","0.0624","0.0674","","","","","","1.124","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573262","11.1017","0.0005","12.6011","0.0007","30.7804","0.0017","90","","96.1058","0.0018","90","","4281.6","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triphenylphosphonium trichloridotriphenylphosphanecobaltate(II) benzene solvate","Triphenylphosphonium trichlorido(triphenylphosphane-κ<i>P</i>)cobaltate(II) benzene disolvate","","- C48 H43 Cl3 Co P2 -","- C48 H43 Cl3 Co P2 -","- C192 H172 Cl12 Co4 P8 -","4","1","WM4224","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Triphenylphosphonium trichlorido(triphenylphosphane-κP)cobaltate(II) benzene disolvate","IUCrData","2024","9","11","x241121","","10.1107/S2414314624011210","","","0.71073","MoKα","","0.0419","0.0318","","","0.0709","0.0807","","","","","","1.104","","","","has coordinates,has disorder","300370","2025-07-05","10:15:06",""
"1573263","6.1616","0.0003","22.3074","0.001","5.0396","0.0002","90","","99.356","0.001","90","","683.47","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5,6-Trichloropyridin-2-ol","","- C5 H2 Cl3 N O -","- C5 H2 Cl3 N O -","- C20 H8 Cl12 N4 O4 -","4","1","HB4494","Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.","3,5,6-Trichloropyridin-2-ol","IUCrData","2024","9","11","x241126","","10.1107/S241431462401126X","","","0.56086","AgKα","","0.0362","0.0343","","","0.0719","0.0725","","","","","","1.325","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573264","7.7496","0.0005","9.3778","0.0006","16.6178","0.001","79.516","0.003","83.962","0.003","69.52","0.003","1111.33","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate","","- C20 H20 Fe N12 O -","- C20 H20 Fe N12 O -","- C40 H40 Fe2 N24 O2 -","2","1","WM4222","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate","IUCrData","2024","9","11","x241116","","10.1107/S2414314624011167","","","0.71073","MoKα","","0.0736","0.0373","","","0.0854","0.1085","","","","","","1.094","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573366","6.4352","0.0004","12.2697","0.0011","15.5936","0.001","90","","90.29","0.003","90","","1231.22","0.16","100","2","100.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H12 Br N3 O3 -","- C11 H12 Br N3 O3 -","- C44 H48 Br4 N12 O12 -","4","1","TK4113","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide","IUCrData","2024","9","11","x241138","","10.1107/S2414314624011386","","","0.71073","MoKα","","0.0182","0.017","","","0.0366","0.0369","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:06",""
"1573367","7.7366","0.0003","29.5787","0.001","7.3852","0.0003","90","","91.962","0.002","90","","1689.03","0.11","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-(2-Methoxyphenyl)-2,2':6',2''-terpyridine","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4497","Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.","4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine","IUCrData","2024","9","11","x241143","","10.1107/S241431462401143X","","x-ray","0.71073","MoKα","","0.047","0.041","","","0.1141","0.1189","","","","","","1.028","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573386","9.8411","0.0004","12.3319","0.0005","21.0912","0.001","90","","94.254","0.004","90","","2552.56","0.19","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","BT4161","Schollmeyer, Dieter; Jirsch, Paul; Detert, Heiner","rac-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid","IUCrData","2024","9","12","x241144","","10.1107/S2414314624011441","","","0.71073","MoKα","","0.048","0.0403","","","0.1029","0.1095","","","","","","1.031","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573387","8.8768","0.0003","18.3002","0.0007","10.5053","0.0003","90","","95.942","0.003","90","","1697.39","0.1","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-[(2-Chlorophenyl)diphenylmethyl]-1<i>H</i>-pyrazole","","- C22 H17 Cl N2 -","- C22 H17 Cl N2 -","- C88 H68 Cl4 N8 -","4","1","HB4496","Koch, Pierre; Schollmeyer, Dieter","1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole","IUCrData","2024","9","12","x241152","","10.1107/S2414314624011520","","","0.71073","MoKα","","0.0627","0.0369","","","0.0805","0.089","","","","","","0.996","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573530","8.3617","0.0005","9.8067","0.0006","10.1251","0.0005","100.206","0.003","90.276","0.003","90.5","0.003","817.08","0.08","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis(quinoline-8-amine-κ^2^<i>N</i>,<i>N</i>')bis(1,1,3,3-tetracyano-2-methoxypropenido-κ<i>N</i>)iron(II)","","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","- C34 H22 Fe N12 O2 -","1","0.5","ZL4078","Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak","trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)","IUCrData","2024","9","12","x241219","","10.1107/S2414314624012197","","","0.71073","MoKα","","0.0495","0.0385","","","0.0955","0.1037","","","","","","1.058","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573531","10.17216","0.00008","9.2432","0.00006","17.64603","0.00014","90","","101.511","0.0008","90","","1625.77","0.02","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","1","HB4500","Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.","Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate","IUCrData","2024","9","12","x241222","","10.1107/S2414314624012227","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.104","0.1064","","","","","","1.057","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573532","12.7044","0.0014","10.5123","0.0017","18.2491","0.0019","90","","105.372","0.012","90","","2350","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Bromo-9,9-diethyl-<i>N</i>,<i>N</i>-diphenylfluoren-2-amine","","- C29 H26 Br N -","- C29 H26 Br N -","- C116 H104 Br4 N4 -","4","1","HB4495","Khamrang, Themmila; Kannan, A.; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham","6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine","IUCrData","2024","9","12","x241176","","10.1107/S2414314624011763","","","0.71073","MoKα","","0.0944","0.0479","","","0.0964","0.1168","","","","","","1.021","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573539","5.0748","0.0003","12.9872","0.0008","20.6243","0.0012","90","","90","","90","","1359.29","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Iodoaniline","3-Iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C48 H48 I8 N8 -","8","2","BX4032","Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard","3-Iodoaniline","IUCrData","2024","9","12","x241226","","10.1107/S2414314624012264","","","0.71073","MoKα","","0.0549","0.0481","","","0.0772","0.0794","","","","","","1.25","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573540","8.792","0.005","11.674","0.007","24.976","0.014","90","","92.06","0.02","90","","2562","3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~2~-1,4-bis(pyridin-3-ylmethyl)piperazine][μ~2~-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","","- C26 H32 Co N4 O6 -","- C26 H32 Co N4 O6 -","- C104 H128 Co4 N16 O24 -","4","1","PK4046","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[diaqua[μ2-1,4-bis(pyridin-3-ylmethyl)piperazine][μ2-4-(2-carboxylatoethyl)benzoato]cobalt(II)]","IUCrData","2024","9","12","x241225","","10.1107/S2414314624012252","","","0.71073","MoKα","","0.1128","0.0639","","","0.1238","0.1427","","","","","","1.019","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573568","7.03475","0.00005","5.65165","0.00005","9.70464","0.00007","90","","106.852","0.0004","90","","369.267","0.005","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) sulfate dihydrate","","- H4 O10 S2 Sn -","- H4 O10 S2 Sn -","- H8 O20 S4 Sn2 -","2","0.5","WM4223","Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer","Sn(SO4)2·2H2O from synchrotron powder data","IUCrData","2024","9","12","x241179","","10.1107/S2414314624011799","powder diffraction","x-ray","1.00098","Synchrotron","","0.0454","0.0429","","0.0473","0.0471","","","","1.9474","","","","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573569","6.7708","0.0001","17.2107","0.0002","12.3465","0.0002","90","","98.184","0.001","90","","1424.09","0.04","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-1,3-benzodiazol-3-ium bromide","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium bromide","","- C15 H14 Br N3 O3 -","- C15 H14 Br N3 O3 -","- C60 H56 Br4 N12 O12 -","4","1","HB4498","Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.","3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide","IUCrData","2024","9","12","x241168","","10.1107/S2414314624011684","","","0.71073","MoKα","","0.0299","0.0219","","","0.0539","0.0569","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:07",""