# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-23T09:02:34+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'IUCrData') AND volume = 10 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
"1573580","16.752","0.0003","7.27831","0.00016","15.9369","0.0003","90","","100.013","0.0017","90","","1913.53","0.07","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chlorocurcumin","4-Chloro-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one","","- C21 H19 Cl O6 -","- C21 H19 Cl O6 -","- C84 H76 Cl4 O24 -","4","1","HB4501","Pham, Phuong-Truc T.; Bader, Mamoun M.","4-Chlorocurcumin","IUCrData","2025","10","1","x241243","","10.1107/S2414314624012434","","x-ray","1.54184","CuKα","","0.0403","0.0362","","","0.1036","0.1075","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573581","5.6911","0.0004","7.9862","0.0004","24.9303","0.0014","90","","91.008","0.003","90","","1132.91","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","","- C9 H10 Cl N O6 -","- C9 H10 Cl N O6 -","- C36 H40 Cl4 N4 O24 -","4","1","TK4114","Sadikhova, Nurlana D.; Muradova, Farida M.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Zangrando, Ennio; Belay, Alebel N.","Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","IUCrData","2025","10","1","x241242","","10.1107/S2414314624012422","","","0.71073","MoKα","","0.0337","0.0308","","","0.0802","0.0819","","","","","","1.104","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573613","8.4191","0.0003","23.1476","0.0009","9.9079","0.0003","90","","94.709","0.003","90","","1924.35","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(η^6^-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ^2^<i>N</i>,<i>N</i>']\ ruthenium(II) tetrafluoridoborate","","- C20 H16 B Cl F4 N2 Ru -","- C20 H16 B Cl F4 N2 Ru -","- C80 H64 B4 Cl4 F16 N8 Ru4 -","4","1","WM4225","Varadhan, Manikandan; Passi, Ibanpynhunlang; Chinnathangavel, Thangaraja; Rajendiran, Venugopal","(η6-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ2 N,N′]ruthenium(II) tetrafluoridoborate","IUCrData","2025","10","1","x241240","","10.1107/S2414314624012409","","","0.71073","MoKα","","0.0464","0.0396","","","0.0896","0.0931","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:15:07",""
"1573614","9.5725","0.0003","9.5725","0.0003","27.576","0.0011","90","","90","","90","","2526.86","0.15","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Tetraphenylglycolide tetrahydrofuran monosolvate","3,3,6,6-Tetraphenyl-1,4-dioxane-2,5-dione tetrahydrofuran monosolvate","","- C32 H24 O5 -","- C32 H24 O5 -","- C128 H96 O20 -","4","0.5","BV4054","Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard","Tetraphenylglycolide tetrahydrofuran monosolvate","IUCrData","2025","10","1","x241241","","10.1107/S2414314624012410","","","0.71073","MoKα","","0.0616","0.0564","","","0.1711","0.1759","","","","","","1.091","","","","has coordinates,has disorder","300370","2025-07-05","10:15:07",""
"1573615","9.6669","0.0003","11.944","0.0004","36.0164","0.0009","90","","90","","90","","4158.5","0.2","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","Di-<i>tert</i>-butyldiisothiocyanatotin(IV)","","- C10 H18 N2 S2 Sn -","- C10 H18 N2 S2 Sn -","- C120 H216 N24 S24 Sn12 -","12","1.5","HB4502","Kamrowski, Anne; Reuter, Hans","Di-tert-butyldiisothiocyanatotin(IV)","IUCrData","2025","10","1","x241244","","10.1107/S2414314624012446","","","0.71073","MoKα","","0.0492","0.0333","","","0.0618","0.0672","","","","","","1.117","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573684","8.1174","0.0003","9.5597","0.0004","10.258","0.0004","90","","109.734","0.0014","90","","749.27","0.05","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Acetyl α-<i>D</i>-2,3,4-triacetyllyxopyranoside","","- C13 H18 O9 -","- C13 H18 O9 -","- C26 H36 O18 -","2","1","HB4504","Culver, Shawn; Rhoad, Jonathan S.","","IUCrData","2025","10","1","x250016","","10.1107/S2414314625000161","","","1.54178","CuKα","","0.032","0.0317","","","0.0755","0.0757","","","","","","1.113","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573685","12.47742","0.00016","15.1037","0.0002","15.7031","0.0002","75.3037","0.0014","72.5571","0.0013","71.7565","0.0013","2639.28","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","Methyl 2-amino-4-(morpholin-4-yl)benzo[<i>d</i>]thiazole-6-carboxylate tetartohydrate","","- C13 H15.5 N3 O3.25 S -","- C13 H15.5 N3 O3.25 S -","- C104 H124 N24 O26 S8 -","8","4","HB4503","Uran, Erik; Cotman, Andrej Emanuel; Lozinšek, Matic","","IUCrData","2025","10","1","x241249","","10.1107/S2414314624012495","","x-ray","1.54184","CuKα","","0.0325","0.0307","","","0.0855","0.0872","","","","","","1.065","","","","has coordinates","300305","2025-07-03","09:19:29",""
"1573865","23.3025","0.0011","23.3025","0.0011","11.2648","0.0005","90","","90","","90","","6116.9","0.5","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Poly[[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')tetrakis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-hydroxido)pentanickel(II)] 2.60-hydrate]","","- C16 H31.2 Ni5 O20.6 -","- C16 H26 Ni5 O20.602 -","- C128 H208 Ni40 O164.816 -","8","0.5","BT4163","Pfeiffer, Maximilian; Stöger, Berthold; Weil, Matthias","Poly[[bis(μ4-acetato-κ4 O:O:O′:O′)tetrakis(μ3-acetato-κ3 O:O:O′)bis(μ2-acetato-κ2 O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate]","IUCrData","2025","10","2","x250082","","10.1107/S2414314625000823","","x-ray","0.71073","MoKα","","0.0926","0.0376","","","0.0626","0.0688","","","","","","0.826","","","","has coordinates,has disorder","300370","2025-07-05","10:15:08",""
"1573866","14.9741","0.0002","6.3842","0.0001","10.0741","0.0001","90","","90.435","0.001","90","","963.03","0.02","100","","100.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-(4-<i>tert</i>-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","","- C18 H28 Br N3 -","- C18 H28 Br N3 -","- C36 H56 Br2 N6 -","2","1","HB4505","Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","4-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide","IUCrData","2025","10","2","x250092","","10.1107/S2414314625000926","","","1.54184","CuKα","","0.0454","0.0428","","","0.1149","0.1354","","","","","","1.147","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573925","5.5532","0.0003","12.0594","0.0005","17.023","0.0008","86.599","0.006","83.723","0.006","82.426","0.006","1122.11","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis{4-(allyloxy)-<i>N</i>'-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","Bis(<i>N</i>'-{[4-(octyloxy)phenyl]methylidene}-4-(prop-2-en-1-yloxy)benzohydrazidato)nickel(II)","","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","- C50 H62 N4 Ni O6 -","1","0.5","BX4033","Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Bis{4-(allyloxy)-N′-[4-(octyloxy)benzylidene]benzohydrazidato}nickel(II)","IUCrData","2025","10","2","x250120","","10.1107/S2414314625001208","","","0.71075","MoKα","","0.0661","0.0441","","","0.0871","0.0944","","","","","","1.018","","","","has coordinates","300370","2025-07-05","10:15:08",""
"1573984","2.9895","0.0006","2.9895","0.0006","2.9895","0.0006","90","","90","","90","","26.717","0.009","296","2","296","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Titanium vanadium nickel","","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","- Ni0.92 Ti V0.08 -","1","0.0208333","HB4492","Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Titanium vanadium nickel, TiV0.08Ni0.92","IUCrData","2025","10","2","x250147","","10.1107/S2414314625001476","","","0.71073","MoKα","","0.0246","0.0223","","","0.0375","0.0386","","","","","","1.385","","","","has coordinates,has disorder","300370","2025-07-05","10:15:09",""
"1574036","15.37","0.003","5.4488","0.001","16.339","0.003","90","","117.426","0.007","90","","1214.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin ester","2-Oxo-2<i>H</i>-chromen-7-yl 3-methylbutanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BH4093","Abou, Akoun; Bazié, Hypolite; Akonan, Ludovic; Djandé, Abdoulaye; Francotte, Pierre","2-Oxo-2H-chromen-7-yl 3-methylbutanoate","IUCrData","2025","10","2","x250161","","10.1107/S2414314625001610","","","0.71073","MoKα","","0.0861","0.0659","","","0.1812","0.2025","","","","","","1.029","","","","has coordinates","300370","2025-07-05","10:15:09",""
"1574037","10.3372","0.0014","11.3286","0.0015","12.4559","0.0016","105.428","0.007","114.185","0.007","97.344","0.008","1235.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C27 H36 O5 -","- C27 H36 O5 -","- C54 H72 O10 -","2","1","VM4064","Suresh Babu, N.; Anbu Chudar Azhagan, S.; Loganathan, B.; Sughanya, V.; Ayyappan, J.","2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","IUCrData","2025","10","2","x250180","","10.1107/S2414314625001804","","","0.71073","MoKα","","0.1289","0.0516","","","0.11","0.1445","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:10",""
"1574038","8.4924","0.0007","9.3927","0.0007","9.7799","0.0008","71.379","0.006","86.439","0.007","74.119","0.006","710.78","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[<i>d</i>][1,2,3]selenadiazol-3-ium bromide","","- C12 H19 Br N2 O2 Se -","- C12 H19 Br N2 O2 Se -","- C24 H38 Br2 N4 O4 Se2 -","2","1","BT4164","Schollmeyer, Dieter; Detert, Heiner","3-(2-Ethoxy-2-oxoethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,2,3]selenadiazol-3-ium bromide","IUCrData","2025","10","2","x250143","","10.1107/S2414314625001439","","","0.71073","MoKα","","0.0394","0.0354","","","0.0927","0.0963","","","","","","1.098","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574065","15.4238","0.0013","16.1528","0.0014","18.2354","0.0016","90","","111.508","0.002","90","","4226.8","0.6","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^6^-toluene)ruthenium(II) hexafluoridophosphate","","- C19 H17 Cl2 F6 N2 P Ru -","- C19 H17 Cl2 F6 N2 P Ru -","- C152 H136 Cl16 F48 N16 P8 Ru8 -","8","2","BH4091","Gichumbi, Joel; Friedrich, Holger B.; Zamisa, Sizwe J.","Chlorido{2-[(4-chlorophenyl)iminomethyl]pyridine-κ2 N,N′}(η6-toluene)ruthenium(II) hexafluoridophosphate","IUCrData","2025","10","3","x250103","","10.1107/S2414314625001038","","x-ray","0.71073","MoKα","","0.0603","0.0381","","","0.0795","0.0891","","","","","","1.031","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574159","4.438","0.0002","10.5115","0.0004","17.3105","0.0006","90","","90","","90","","807.54","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(4-Amino-3-methylphenyl)sulfanyl]formonitrile","2-Methyl-4-thiocyanatoaniline","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C32 H32 N8 S4 -","4","1","BT4165","Lange, Erik de; Hosten, Eric Cyriel; Betz, Richard","2-Methyl-4-thiocyanatoaniline","IUCrData","2025","10","3","x250216","","10.1107/S2414314625002160","","","0.71073","MoKα","","0.0532","0.0425","","","0.0697","0.0749","","","","","","1.159","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574194","32.5164","0.0015","8.8531","0.0005","13.5952","0.0006","90","","90","","90","","3913.7","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II) monohydrate","","- C18 H18 Fe N10 O -","- C18 H18 Fe N10 O -","- C144 H144 Fe8 N80 O8 -","8","1","ZL4079","Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak","Bis(azido-κN)bis(quinolin-8-amine-κ2 N,N′)iron(II) monohydrate","IUCrData","2025","10","3","x250235","","10.1107/S2414314625002354","","","0.71073","MoKα","","0.0926","0.0473","","","0.09","0.0995","","","","","","0.932","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574233","7.4231","0.0004","13.2052","0.0005","12.2802","0.0007","90","","99.725","0.004","90","","1186.45","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</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>,10<i>H</i>,11<i>H</i>-Cyclodeca[<i>d</i>][1,2,3]selenadiazole-8-carboxylic acid","","- C11 H16 N2 O2 Se -","- C11 H16 N2 O2 Se -","- C44 H64 N8 O8 Se4 -","4","1","VM4065","Schollmeyer, Dieter; Detert, Heiner","rac-4H,5H,6H,7H,8H,9H,10H,11H-Cyclodeca[d][1,2,3]selenadiazole-8-carboxylic acid","IUCrData","2025","10","3","x250242","","10.1107/S2414314625002421","","","0.71073","MoKα","","0.0429","0.0317","","","0.0812","0.0853","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:15:19",""
"1574278","22.6427","0.0003","15.6971","0.0002","20.1469","0.0003","90","","106.08","0.002","90","","6880.55","0.18","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(2-methoxyphenyl)diphenylphosphane-κ<i>P</i>](nitrito-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O4 P2 -","- C38 H34 Ag N O4 P2 -","- C304 H272 Ag8 N8 O32 P16 -","8","1","TK4116","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(2-methoxyphenyl)diphenylphosphane-κP](nitrito-κ2 O,O′)silver(I)","IUCrData","2025","10","3","x250193","","10.1107/S2414314625001932","","x-ray","0.71073","MoKα","","0.0391","0.0311","","","0.0736","0.076","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:15:19",""
"1574279","19.1096","0.0003","13.69762","0.00018","18.5399","0.0002","90","","96.4031","0.0012","90","","4822.66","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C192 H224 N32 O64 -","8","2","BT4166","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate trihydrate","IUCrData","2025","10","3","x250256","","10.1107/S2414314625002561","","x-ray","0.71073","MoKα","","0.0719","0.0492","","","0.1292","0.1452","","","","","","1.038","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574375","14.3478","0.0004","13.5179","0.0003","17.9803","0.0005","90","","111.215","0.003","90","","3250.98","0.16","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Nitrito-κ^2^<i>O</i>:<i>O</i>')bis[tris(4-fluorophenyl)phosphine-κ<i>P</i>]silver(I)","","- C36 H24 Ag F6 N O2 P2 -","- C36 H24 Ag F6 N O2 P2 -","- C144 H96 Ag4 F24 N4 O8 P8 -","4","1","WM4226","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","(Nitrito-κ2 O:O′)bis[tris(4-fluorophenyl)phosphine-κP]silver(I)","IUCrData","2025","10","4","x250296","","10.1107/S2414314625002962","","x-ray","0.71073","MoKα","","0.034","0.0263","","","0.0605","0.0635","","","","","","1.045","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574415","9.8976","0.0004","22.3449","0.001","8.6049","0.0003","90","","105.549","0.001","90","","1833.42","0.13","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Nonamagnesium diruthenium","","- Mg9 Ru2 -","- Mg9 Ru2 -","- Mg72 Ru16 -","8","1","WM4227","Li, Junhui; Liu, Huizi; Liu, Yibo; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","Nonamagnesium diruthenium, Mg9Ru2","IUCrData","2025","10","4","x250305","","10.1107/S2414314625003050","","","0.71073","MoKα","","0.0499","0.0313","","","0.0557","0.0587","","","","","","1.103","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574421","4.041","0.003","4.041","0.003","10.01","0.009","90","","90","","90","","163.5","0.2","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","Calcium copper iron disilicide","","- Ca Cu1.42 Fe0.58 Si2 -","- Ca Cu1.42 Fe0.58 Si2 -","- Ca2 Cu2.84 Fe1.16 Si4 -","2","0.0625","BT4168","Dai, Yangkun; Liu, Yibo; Mihalkovic, Marek; Wen, Bin; Zhang, Lifeng; Fan, Changzeng","CaCu1.424Fe0.576Si2","IUCrData","2025","10","4","x250325","","10.1107/S2414314625003256","","","0.71073","MoKα","","0.0944","0.0711","","","0.1472","0.1557","","","","","","1.288","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574503","10.867","0.0004","15.2671","0.0006","19.1569","0.0008","90","","97.463","0.002","90","","3151.4","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4<i>H</i>-pyran-3-carbonitrile dichloromethane hemisolvate","","- C31 H28 Cl2 F2 N4 O4 -","- C30.9999 H27.9998 Cl1.9998 F2 N4 O4 -","- C124 H111.999 Cl7.9992 F8 N16 O16 -","4","1","HB4509","Nyapola, Carren; Zamisa, Sizwe J.; Omondi, Bernard; Njogu, Eric M.","5-Acetyl-2-amino-4-(2-fluorophenyl)-6-methyl-4H-pyran-3-carbonitrile dichlomethane hemisolvate","IUCrData","2025","10","4","x250337","","10.1107/S2414314625003372","","x-ray","0.71073","MoKα","","0.0964","0.074","","","0.2132","0.2387","","","","","","1.077","","","","has coordinates,has disorder","300370","2025-07-05","10:15:20",""
"1574504","9.43","0.003","9.997","0.004","10.203","0.004","99.833","0.014","107.559","0.014","106.866","0.014","841.7","0.6","297","2","297","2","","","","","","","","4","P -1","-P 1","2","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-<i>kl</i>]acridin-1(2<i>H</i>)-one","11,11-Dimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.0^2,7^.0^13,16^]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","HB4513","Islam, Izarul; Kanti Roy, Pijush; Zangrando, Ennio; Gopal Karmaker, Pran; Nath Roy, Harendra","4,4-Dimethyl-2-phenyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one","IUCrData","2025","10","4","x250361","","10.1107/S241431462500361X","","","0.71073","MoKα","","0.0629","0.0532","","","0.1325","0.1378","","","","","","1.118","","","","has coordinates","300370","2025-07-05","10:15:20",""
"1574552","5.4485","0.0013","20.347","0.005","7.486","0.0017","90","","102.123","0.004","90","","811.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Chloropropiophenone","3-Chloro-1-phenylpropan-1-one","","- C9 H9 Cl O -","- C9 H9 Cl O -","- C36 H36 Cl4 O4 -","4","1","BT4169","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","3-Chloropropiophenone","IUCrData","2025","10","4","x250349","","10.1107/S2414314625003499","","","0.71073","MoKα","","0.0505","0.038","","","0.0895","0.0953","","","","","","1.077","","","","has coordinates","300370","2025-07-05","10:15:21",""
"1574629","13.271","0.003","13.904","0.003","11.206","0.002","90","","105.547","0.006","90","","1992.1","0.7","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>tert</i>-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","","- C18 H23 F N2 O6 S -","- C18 H23 F N2 O6 S -","- C72 H92 F4 N8 O24 S4 -","4","1","VM4067","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.","tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate","IUCrData","2025","10","5","x250385","","10.1107/S2414314625003852","","x-ray","0.71073","MoKα","","0.0634","0.0423","","","0.0823","0.0902","","","","","","1.015","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574630","9.5469","0.0004","8.983","0.0003","21.8191","0.0007","90","","90","","90","","1871.2","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1<i>Z</i>)-Cyclodec-5-yn-1-ylidene]hydroxylamine","","- C10 H15 N O -","- C10 H15 N O -","- C80 H120 N8 O8 -","8","1","BT4170","Detert, Heiner; Schollmeyer, Dieter","N-[(1Z)-Cyclodec-5-yn-1-ylidene]hydroxylamine","IUCrData","2025","10","5","x250414","","10.1107/S2414314625004146","","","0.71073","MoKα","","0.0492","0.0422","","","0.1056","0.1112","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:15:22",""
"1574631","5.5676","0.0005","33.185","0.003","7.6949","0.0005","90","","90.325","0.002","90","","1421.7","0.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[Oxybis(benzene-4,1-diyl)]diacetamide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","HB4515","Uppu, Rao M.; Agu, Ogad A.; Babu, Sainath; Mensah, Patrick F.; Fronczek, Frank R.","N,N′-[Oxybis(benzene-4,1-diyl)]diacetamide","IUCrData","2025","10","5","x250384","","10.1107/S2414314625003840","","","0.56086","AgKα","","0.0778","0.0652","","","0.1682","0.1792","","","","","","1.049","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574632","5.5734","0.0009","8.1618","0.0013","10.6194","0.0016","98.577","0.002","96.441","0.002","102.546","0.002","461","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(4-Bromophenyl)but-2-en-1-one","","- C10 H9 Br O -","- C10 H9 Br O -","- C20 H18 Br2 O2 -","2","1","WM4228","Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian; Peppel, Tim","(E)-1-(4-Bromophenyl)but-2-en-1-one","IUCrData","2025","10","5","x250415","","10.1107/S2414314625004158","","","0.71073","MoKα","","0.0221","0.0194","","","0.0497","0.0511","","","","","","1.048","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574633","7.2217","0.0004","15.6664","0.0008","8.4925","0.0005","90","","90.11","0.004","90","","960.82","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.0^3,7^]tetradeca-1(11),3(7),5,13-tetraene","","- C8 H8 N4 Se2 -","- C8 H8 N4 Se2 -","- C32 H32 N16 Se8 -","4","1","VM4066","Schollmeyer, Dieter; Detert, Heiner","4,12-Diselena-5,6,13,14-tetraazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),5,13-tetraene","IUCrData","2025","10","5","x250324","","10.1107/S2414314625003244","","","0.71073","MoKα","","0.0357","0.0293","","","0.0672","0.0709","","","","","","1.171","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574634","7.4809","0.0002","10.5655","0.0002","12.0412","0.0003","97.593","0.002","104.947","0.002","94.357","0.002","905.43","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2'-Amino-5'-benzoyl-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carbonitrile","","- C21 H14 Br N3 O3 -","- C21 H14 Br N3 O3 -","- C42 H28 Br2 N6 O6 -","2","1","HB4511","Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Khalilov, Ali N.; Belay, Alebel N.","2′-Amino-5′-benzoyl-5-bromo-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-3′-carbonitrile","IUCrData","2025","10","5","x250374","","10.1107/S2414314625003748","","","1.54184","CuKα","","0.0416","0.0403","","","0.1157","0.1173","","","","","","1.069","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574635","14.0683","0.0002","18.4885","0.0002","17.7569","0.0002","90","","93.407","0.001","90","","4610.44","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","","- C48 H64 Cl4 N6 Zn -","- C48 H64 Cl4 N6 Zn -","- C192 H256 Cl16 N24 Zn4 -","4","1","BX4034","Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa","Bis[5-(anthracen-9-ylmethyl)-1,5,9-triazacyclododecan-1-ium] tetrachloridozincate","IUCrData","2025","10","5","x250356","","10.1107/S2414314625003566","","","1.54184","CuKα","","0.0522","0.0495","","","0.1348","0.1377","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574718","14.5669","0.0008","10.8981","0.0006","19.4595","0.0009","90","","98.782","0.005","90","","3053","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-bipyridin-1-ium) <i>cis</i>-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ^2^<i>S</i>,<i>S</i>')platinate(2-)","","- C28 H18 N8 O4 Pt S4 -","- C28 H18 N8 O4 Pt S4 -","- C112 H72 N32 O16 Pt4 S16 -","4","0.5","BH4095","Welton, Claire E.; Reinheimer, Eric W.; Smucker, Bradley W.","Bis(4,4′-bipyridin-1-ium) cis-bis(1,2-dicyano-2-sulfidoethene-1-sulfinato-κ2 S,S′)platinate(2−)","IUCrData","2025","10","5","x250383","","10.1107/S2414314625003839","","x-ray","0.71073","MoKα","","0.0505","0.0306","","","0.0612","0.0663","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574765","8.58301","0.00008","7.87355","0.00007","26.1616","0.0002","90","","93.6036","0.0008","90","","1764.47","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{(<i>E</i>)-<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","","- C15 H16 Cd Cl2 N4 S -","- C15 H16 Cd Cl2 N4 S -","- C60 H64 Cd4 Cl8 N16 S4 -","4","1","BT4171","Parry, Christian S.; Kwabi-Addo, Bernard; Ramadhar, Timothy R.; Butcher, Raymond J.","Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)","IUCrData","2025","10","5","x250464","","10.1107/S241431462500464X","","x-ray","1.54184","CuKα","","0.0297","0.0266","","","0.0694","0.071","","","","","","1.05","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574766","9.1997","0.0006","15.1692","0.0008","16.7138","0.0009","110.129","0.0013","100.749","0.0016","94.2372","0.0015","2127.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(3<i>Z</i>)-4-Methyl-9-(4-methylbenzenesulfonyl)-<i>N</i>-phenyl-3<i>H</i>,9<i>H</i>-thiopyrano[3,4-<i>b</i>]indol-3-imine","","- C25 H20 N2 O2 S2 -","- C25 H20 N2 O2 S2 -","- C100 H80 N8 O8 S8 -","4","2","BT4173","Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter","(3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine","IUCrData","2025","10","5","x250475","","10.1107/S2414314625004754","","","0.71073","MoKα","","0.0704","0.0442","","","0.1063","0.1201","","","","","","1.014","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574767","9.9236","0.0003","10.3042","0.0004","12.9748","0.0005","66.684","0.004","80.942","0.003","66.66","0.003","1118.69","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[tetraaqua(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)di-μ~2~-oxalato-dipraseodymium(III)] 4.29-hydrate]","","- C11 H17 N O21.294 Pr2 -","- C11 H17 N O21.294 Pr2 -","- C22 H34 N2 O42.588 Pr4 -","2","1","ZL4083","Khurshid, Aaqib; Rujiwatra, Apinpus; Chuasaard, Thammanoon","Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]","IUCrData","2025","10","5","x250456","","10.1107/S2414314625004560","","","0.71073","MoKα","","0.0509","0.0357","","","0.0749","0.0851","","","","","","1.048","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574768","9.244","0.0004","10.3415","0.0004","11.0093","0.0005","65.358","0.003","66.714","0.002","81.236","0.002","878.59","0.07","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile monohydrate","","- C20 H20 Fe N2 O3 -","- C20 H20 Fe N2 O3 -","- C40 H40 Fe2 N4 O6 -","2","1","ZL4082","Nyapola, Carren; Juma, David O.; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard","2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate","IUCrData","2025","10","5","x250468","","10.1107/S2414314625004687","","x-ray","0.71073","MoKα","","0.0472","0.039","","","0.0989","0.1051","","","","","","1.055","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574769","16.418","0.0005","9.9205","0.0003","15.2137","0.0005","90","","95.722","0.003","90","","2465.58","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","HB4493","He, Fang; Long, Sihui","2-Methyl-4-[(4-methylphenyl)amino]benzoic acid","IUCrData","2025","10","5","x250455","","10.1107/S2414314625004559","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1299","0.1332","","","","","","1.095","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574770","7.8421","0.0003","12.3037","0.0005","16.0821","0.0006","90","","96.081","0.003","90","","1542.98","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","","- C14 H11 N3 O8 S2 -","- C14 H11 N3 O8 S2 -","- C56 H44 N12 O32 S8 -","4","1","HB4518","Tsemeugne, Joseph; Djossu, Didier Forest Kouganou; Schollmeyer, Dieter; Mkounga, Pierre","2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate","IUCrData","2025","10","5","x250478","","10.1107/S241431462500478X","","","0.71073","MoKα","","0.0841","0.0602","","","0.1298","0.1467","","","","","","1.155","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574819","14.2323","0.0006","7.6198","0.0003","19.8463","0.0008","90","","90","","90","","2152.28","0.15","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","1","HB4520","Uppu, Rao M.; Fronczek, Frank R.","N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide","IUCrData","2025","10","6","x250470","","10.1107/S2414314625004705","","","1.54184","CuKα","","0.0954","0.0534","","","0.1273","0.1364","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:15:23",""
"1574928","9.5548","0.0002","10.702","0.0003","18.4654","0.0005","74.0508","0.001","86.9998","0.001","76.0888","0.0009","1762.06","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(α,α'-Bis[(<i>tert</i>-butyl)(6-methoxypyridin-2-yl)phosphino]-<i>o</i>-xylene}(η^2^-<i>N</i>-methylmaleinimide)palladium(0) toluene hemisolvate","","- C36.5 H47 N3 O4 P2 Pd -","- C36.5 H47 N3 O4 P2 Pd -","- C73 H94 N6 O8 P4 Pd2 -","2","1","HB4516","Müller, Stefan; Spannenberg, Anke; Neumann, Helfried; Franke, Robert; Beller, Matthias","{α,α′-Bis[(tert-butyl)(6-methoxypyridin-2-yl)phosphino]-o-xylene}(η2-N-methylmaleinimide)palladium(0) toluene hemisolvate","IUCrData","2025","10","6","x250508","","10.1107/S2414314625005085","","","1.54178","CuKα","","0.0231","0.0219","","","0.056","0.0568","","","","","","1.064","","","","has coordinates,has disorder","300370","2025-07-05","10:15:23",""
"1574929","8.84082","0.00017","9.48683","0.00018","11.6797","0.0002","95.3496","0.0016","91.0661","0.0016","103.592","0.0017","947.18","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1<i>H</i>-pyrazole; 1-(triphenylmethyl)-3-(trifluoromethyl)-1<i>H</i>-pyrazole","","- C23 H16.36 Br0.64 F3 N2 -","- C23 H16.362 Br0.638 F3 N2 -","- C46 H32.724 Br1.276 F6 N4 -","2","1","HB4519","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)","IUCrData","2025","10","6","x250466","","10.1107/S2414314625004663","","","1.54184","CuKα","","0.0377","0.0371","","","0.0948","0.0952","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574930","8.97833","0.00009","10.13609","0.00009","12.85096","0.00015","90","","110.357","0.0013","90","","1096.46","0.02","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(4-Fluorophenyl)imidazo[1,2-<i>a</i>]pyridine-2-carbaldehyde","","- C14 H9 F N2 O -","- C14 H9 F N2 O -","- C56 H36 F4 N8 O4 -","4","1","HB4525","Guseinov, Firudin I.; Samigullina, Aida I.; Hökelek, Tuncer; Hamidov, Sahil Z.; Lasri, Jamal; Hasanov, Khudayar I.; Guliyeva, Narmina A.; Belay, Alebel N.","3-(4-Fluorophenyl)imidazo[1,2-a]pyridine-2-carbaldehyde","IUCrData","2025","10","6","x250553","","10.1107/S241431462500553X","","x-ray","1.54184","CuKα","","0.0363","0.0355","","","0.0954","0.0961","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574931","9.1504","0.0013","11.6521","0.0016","24.868","0.004","95.453","0.003","98.296","0.003","90.372","0.003","2611.3","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","(η^4^-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","(η^4^-2-Methylidenepropane-1,3-diyl)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","","- C53 H62 O6.5 P3 Ru -","- C53 H62 O6.5 P3 Ru -","- C106 H124 O13 P6 Ru2 -","2","1","HB4517","Stein, Carolin A. M.; Alberico, Elisabetta; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","(η4-Trimethylenemethane)(1,1,1-tris{[bis(4-methoxyphenyl)phosphanyl]methyl}ethane)ruthenium(II) diethyl ether hemisolvate","IUCrData","2025","10","6","x250524","","10.1107/S2414314625005243","","","0.71073","MoKα","","0.0382","0.0343","","","0.0819","0.0841","","","","","","1.099","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574932","17.0276","0.0003","17.0276","0.0003","21.6388","0.0005","90","","90","","120","","5433.39","0.18","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(2,2'-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C240 H144 Fe6 N72 -","6","0.333333","BT4174","Messalti, Said Abdelghafour; Setifi, Fatima; Böhme, Uwe; Setifi, Zouaoui; Al-Douh, Mohammad Hadi","Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide","IUCrData","2025","10","6","x250503","","10.1107/S2414314625005036","","","0.71073","MoKα","","0.0447","0.0329","","","0.0817","0.0913","","","","","","1.052","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574933","7.28265","0.0001","8.6472","0.00015","34.8789","0.0003","90","","90","","90","","2196.48","0.05","100","2","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-<i>D</i>-galactopyranose","","- C17 H25 N O9 S2 -","- C17 H25 N O9 S2 -","- C68 H100 N4 O36 S8 -","4","1","BT4175","Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose","IUCrData","2025","10","6","x250544","","10.1107/S2414314625005449","","x-ray","0.71073","MoKα","","0.0333","0.0306","","","0.0813","0.0825","","","","","","1.119","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574934","10.944","0.003","11.234","0.003","11.377","0.003","90","","112.481","0.004","90","","1292.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","HB4522","Ponmagaram, Murugesan; Saranraj, Krishnan; Raja, Karuppiah Muruga Poopathi","Methyl 3-[(tert-butoxycarbonyl)amino]benzoate","IUCrData","2025","10","6","x250542","","10.1107/S2414314625005425","","","0.71073","MoKα","","0.0999","0.0497","","","0.103","0.1212","","","","","","1.009","","","","has coordinates","300370","2025-07-05","10:15:24",""
"1574935","11.519","0.0002","12.4798","0.0002","19.5537","0.0003","90","","90","","90","","2810.94","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-Diiodido{3,3'-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","","- C21 H38 I2 N4 O3 Pd -","- C21 H38 I2 N4 O3 Pd -","- C84 H152 I8 N16 O12 Pd4 -","4","1","ZL4080","Liao, Ping; Wang, Yanping; Zhong, Li; Yuan, Jinwei; Yang, Liangru","(S,S)-Diiodido{3,3′-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate","IUCrData","2025","10","6","x250423","","10.1107/S2414314625004237","","x-ray","1.54184","CuKα","","0.0443","0.0402","","","0.0945","0.0988","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:15:24",""
"1574936","7.7661","0.0002","8.1535","0.0003","13.3262","0.0005","93.392","0.003","102.488","0.003","95.435","0.003","817.4","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5,5-Bis{<i>N</i>-(4-pyridyl)methylcarbamoyl}-2,2-bipyridine bis[hexafluoridophosphate(V)] acetonitrile disolvate","4,4'-{[(2,2'-Bipyridine)-5,5'-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","","- C28 H28 F12 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","- C28 H28 F11.9952 N8 O2 P2 -","1","0.5","ZL4084","Sueyoshi, Fumika; Sakai, Ken","4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate","IUCrData","2025","10","6","x250517","","10.1107/S2414314625005176","","","0.71073","MoKα","","0.0642","0.0479","","","0.1137","0.1229","","","","","","1.09","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574954","7.2027","0.0003","22.1157","0.001","7.5534","0.0003","90","","105.517","0.003","90","","1159.35","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","<i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane","","- C9 H12 Br2 Cl2 -","- C9 H12 Br2 Cl2 -","- C36 H48 Br8 Cl8 -","4","1","BT4172","Detert, Heiner; Schollmeyer, Dieter","rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane","IUCrData","2025","10","6","x250573","","10.1107/S2414314625005735","","","0.71073","MoKα","","0.0472","0.0404","","","0.0959","0.1001","","","","","","1.185","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574955","7.9541","0.0003","12.5763","0.0005","20.3351","0.0006","90","","90","","90","","2034.18","0.13","300","2","300.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[2-(4-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]bis(propan-2-yl)azanium (2<i>E</i>)-3-carboxyprop-2-enoate","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","HB4526","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","4-Hydroxy-N,N-diisopropyltryptammonium hydrofumarate","IUCrData","2025","10","6","x250564","","10.1107/S2414314625005644","","","0.71073","MoKα","","0.0453","0.0391","","","0.0906","0.0945","","","","","","1.08","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574956","38.4331","0.0013","5.4083","0.0002","11.0637","0.0003","90","","93.566","0.003","90","","2295.22","0.13","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diaquabis(<i>DL</i>-α-lipoato-κ^2^<i>O</i>,<i>O</i>')manganese(II)","Diaquabis[5-(1,2-dithiolan-3-yl)pentanoato-κ^2^<i>O</i>,<i>O</i>']manganese(II)","","- C16 H30 Mn O6 S4 -","- C16 H30 Mn O6 S4 -","- C64 H120 Mn4 O24 S16 -","4","0.5","BH4096","Jumabaev, Farkhod Raxmatovich; Sharipov, Avez Tuymuradovich; Mannopova, Vazirakhon Khasanxoja kizi; Choriyev, Odil Irgashevich; Ashurov, Jamshid Mengnorovich","Diaquabis(DL-α-lipoato-κ2 O,O′)manganese(II)","IUCrData","2025","10","6","x250565","","10.1107/S2414314625005656","","x-ray","1.54184","CuKα","","0.063","0.0513","","","0.1426","0.1535","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""
"1574957","17.3191","0.0004","12.6547","0.0002","20.5387","0.0004","90","","103.772","0.002","90","","4372.01","0.15","295","1","295","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ^2^<i>O</i>,<i>O</i>')neodymium(III)","","- C36 H23 F12 N2 Nd O8 S4 -","- C36 H23 F12 N2 Nd O8 S4 -","- C144 H92 F48 N8 Nd4 O32 S16 -","4","0.5","WM4231","Bravo-Arredondo, José Manuel; Bernès, Sylvain; Mejía, Karen; Anzaldo, Bertin; Ramírez, Erick; Moro, David","2-Methylimidazolium tetrakis(2-thenoyltrifluoroacetonato-κ2 O,O′)neodymium(III)","IUCrData","2025","10","6","x250569","","10.1107/S2414314625005693","","x-ray","0.56083","AgKα","","0.052","0.0402","","","0.1036","0.1126","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:15:25",""