# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-03T09:35:37+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 = 8 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
"1568658","11.338","0.0006","10.7346","0.0005","14.5503","0.001","90","","109.43","0.005","90","","1670.05","0.17","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Meloxicam hydrochloride or 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazolium-2-yl)-2<i>H</i>-1,2-\ benzothiazine-3-carboxamide 1,1-dioxide chloride","2-(4-Hydroxy-2-methyl-1,1-dioxo-1,2-benzothiazine-3-amido)-5-methyl-1,3-thiazol-3-ium chloride","","- C14 H14 Cl N3 O4 S2 -","- C14 H14 Cl N3 O4 S2 -","- C56 H56 Cl4 N12 O16 S8 -","4","1","BX4023","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","Meloxicam hydrochloride","IUCrData","2023","8","3","x230202","","10.1107/S241431462300202X","","x-ray","0.56083","AgKα","","0.0721","0.0324","","","0.0652","0.0736","","","","","","0.832","","","","has coordinates","281868","2023-03-14","03:25:59",""
"1568659","8.4129","0.0001","22.9217","0.0004","8.6719","0.0001","90","","117.417","0.001","90","","1484.44","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","VM4058","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one","IUCrData","2023","8","3","x230208","","10.1107/S2414314623002080","","","1.54178","CuKα","","0.0322","0.0299","","","0.0783","0.0801","","","","","","1.042","","","","has coordinates","281869","2023-03-14","03:26:28",""
"1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12",""
"1568797","10.874","0.0008","7.0136","0.0006","12.2891","0.0012","90","","92.313","0.005","90","","936.48","0.14","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxy-3-nitrophenyl)acetamide","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","HB4429","Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.","N-(4-Methoxy-3-nitrophenyl)acetamide","IUCrData","2023","8","4","x230298","","10.1107/S2414314623002985","","","1.54184","CuKα","","0.073","0.0588","","","0.1659","0.1762","","","","","","1.075","","","","has coordinates,has disorder","300370","2025-07-05","10:12:56",""
"1568824","8.436","0.002","10.75","0.003","11.338","0.003","113.913","0.005","97.392","0.004","98.975","0.005","907.2","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","","- C15 H13 F3 I N O7 -","- C15 H13 F3 I N O7 -","- C30 H26 F6 I2 N2 O14 -","2","1","TK4090","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","[3-Methoxy-5-(methoxycarbonyl)isoxazol-4-yl](4-methoxyphenyl)iodonium 2,2,2-trifluoroacetate","IUCrData","2023","8","4","x230300","","10.1107/S2414314623003000","","x-ray","0.71073","MoKα","","0.0925","0.0601","","","0.1307","0.1445","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:56",""
"1568825","10.7366","0.0003","9.5341","0.0004","22.6716","0.0007","90","","91.603","0.002","90","","2319.84","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{<i>N</i>-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","","- C28 H23 N O4 Si -","- C28 H23 N O4 Si -","- C112 H92 N4 O16 Si4 -","4","1","PK4039","Böhme, Uwe; Fels, Sabine","{N-[(4-Methoxy-2-oxidophenyl)(phenyl)methylidene]glycinato}diphenylsilicon(IV)","IUCrData","2023","8","4","x230306","","10.1107/S2414314623003061","","","0.71073","MoKα","","0.0432","0.0365","","","0.0892","0.0947","","","","","","1.07","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","x230314","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","300370","2025-07-05","10:12:57",""
"1568933","19.2935","0.0007","4.6933","0.0002","18.7498","0.0007","90","","116.106","0.002","90","","1524.59","0.11","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Methyl-2-oxoquinoxalin-1-yl)-<i>N</i>-(4-methylphenyl)acetamide","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","VM4060","Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","2-(3-Methyl-2-oxoquinoxalin-1-yl)-N-(4-methylphenyl)acetamide","IUCrData","2023","8","4","x230357","","10.1107/S2414314623003577","","","1.54178","CuKα","","0.0706","0.057","","","0.1475","0.1577","","","","","","1.041","","","","has coordinates,has disorder","300370","2025-07-05","10:12:58",""
"1568934","17.8815","0.0013","12.5896","0.001","20.3917","0.0016","90","","112.01","0.0016","90","","4256","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{μ-2,2'-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[<i>c</i>]pyrrol-5-one]}bis[tricarbonyliron(0)]","","- C34 H48 Fe2 N2 O8 Si4 -","- C34 H48 Fe2 N2 O8 Si4 -","- C136 H192 Fe8 N8 O32 Si16 -","4","1","BH4073","Huerta-Zerón, Hilario D.; Spannenberg, Anke; Beller, Matthias; Junge, Henrik","{μ-2,2′-(Ethane-1,2-diyl)bis[4,6-bis(trimethylsilyl)-1,3-dihydrocyclopenta[c]pyrrol-5-one]}bis[tricarbonyliron(0)]","IUCrData","2023","8","4","x230346","","10.1107/S2414314623003462","","","0.71073","MoKα","","0.07","0.038","","","0.083","0.0962","","","","","","1.001","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568935","6.3829","0.0007","12.6897","0.0008","15.9539","0.0017","90","","101.308","0.008","90","","1267.1","0.2","153","1","153","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(23<i>R</i>,23^1^<i>S</i>,25<i>S</i>)-23^1^,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","","- C29 H46 O3 -","- C29 H46 O3 -","- C58 H92 O6 -","2","1","BT4138","Guerrero-Luna, Gabriel; Hernández-Linares, María-Guadalupe; Cárdenas García, Maura; Bernès, Sylvain","(23R,231 S,25S)-231,26-Epoxy-23-ethylfurost-20(22)-en-3β-ol","IUCrData","2023","8","4","x230344","","10.1107/S2414314623003449","","x-ray","0.56083","AgKα","","0.1039","0.0425","","","0.0656","0.0769","","","","","","0.702","","","","has coordinates","300370","2025-07-05","10:12:58",""
"1568936","10.0432","0.0005","12.7045","0.0006","14.3846","0.0007","81.305","0.004","84.313","0.004","82.068","0.004","1791.19","0.15","153","2","153","","","","","","","","","4","P -1","-P 1","2","","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","","- C12 H24 B N -","- C12 H24 B N -","- C72 H144 B6 N6 -","6","3","IM4018","Herbig, Marcus; Böhme, Uwe","9-(Pyrrolidinium-1-yl)-9-boranuidabicyclo[3.3.1]nonane","IUCrData","2023","8","4","x230332","","10.1107/S2414314623003322","","","0.71073","MoKα","","0.0572","0.0432","","","0.1035","0.1153","","","","","","1.043","","","","has coordinates,has disorder","300370","2025-07-05","10:12:59",""
"1568964","8.3546","0.0004","12.4468","0.0005","15.4504","0.0006","85.54","0.002","79.66","0.002","76.997","0.002","1538.86","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","Bis{μ-1,1'-(<i>o</i>-xylylene)bis[4-(pyridin-2-yl)triazole]-κ<i>N</i>^3^:<i>N</i>^3'^}dipalladium(II) tetrakis(tetrafluoridoborate)–dimethylformamide–diethyl ether (1/2/1)","","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","- C54 H60 B4 F16 N18 O3 Pd2 -","1","0.5","","Pokharel, Uttam; Naquin, Aaron; Fronczek, Frank","Synthesis and crystal structure of a PdII complex of ortho-xylylenebis(pyridyltriazole)","IUCrData","2023","8","4","x230362","","10.1107/S2414314623003620","","","1.54184","CuKα","","0.0326","0.0289","","","0.0738","0.0759","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:00",""
"1568965","9.5178","0.0017","10.1995","0.0019","14.589","0.002","81.516","0.006","83.142","0.006","72.351","0.007","1330.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","(<i>N</i>-Benzoyl-<i>N</i>-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","","- C32 H25 As N O3 Rh -","- C32 H25 As N O3 Rh -","- C64 H50 As2 N2 O6 Rh2 -","2","1","WM4184","Motente, Mokete A.; Venter, Johan; Brink, Alice","(N-Benzoyl-N-phenylhydroxylaminato)carbonyl(triphenylarsine)rhodium(I)","IUCrData","2023","8","4","x230355","","10.1107/S2414314623003553","","","0.71073","MoKα","","0.0355","0.0299","","","0.0707","0.0739","","","","","","1.067","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569086","5.7044","0.0004","9.9485","0.0007","11.7687","0.0007","90","","90.321","0.002","90","","667.87","0.08","300","2","300.15","","","","","","","","","4","P 1 n 1","P -2yac","7","<i>N</i>-Methylserotonin hydrogen oxalate","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl](methyl)azanium hydrogen oxalate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","BX4024","Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","N-Methylserotonin hydrogen oxalate","IUCrData","2023","8","5","x230378","","10.1107/S2414314623003784","","","0.71073","MoKα","","0.0303","0.0295","","","0.0764","0.0769","","","","","","1.096","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569104","27.0233","0.0002","9.00367","0.00009","8.96199","0.00008","90","","94.2689","0.0008","90","","2174.48","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-([(<i>Z</i>)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C20 H23 N3 O4 S2 -","- C20 H23 N3 O4 S2 -","- C80 H92 N12 O16 S8 -","4","1","BT4133","Shripanavar, Chetan Shrimandhar; Balerao, Rishik; Butcher, Ray J.","5-([(Z)-Methoxyimino]{2-[(2-methylphenoxy)methyl]phenyl}methyl)-1,3,4-oxadiazole-2(3H)-thione dimethyl sulfoxide monosolvate","IUCrData","2023","8","3","x230237","","10.1107/S2414314623002377","","","1.54184","CuKα","","0.0573","0.0535","","","0.1623","0.1659","","","","","","1.092","","","","has coordinates","300370","2025-07-05","10:13:01",""
"1569105","29.8739","0.0008","10.6344","0.0004","7.6425","0.0004","90","","99.93","0.004","90","","2391.58","0.17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) perchlorate","","- C24 H16 Ag Cl N4 O4 S2 -","- C24 H16 Ag Cl N4 O4 S2 -","- C96 H64 Ag4 Cl4 N16 O16 S8 -","4","0.5","BT4134","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κN 4]silver(I) perchlorate","IUCrData","2023","8","3","x230246","","10.1107/S2414314623002468","","","0.71073","MoKα","","0.0592","0.0301","","","0.0671","0.0718","","","","","","0.821","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569106","18.9246","0.001","8.9789","0.0004","22.2776","0.0013","90","","120.967","0.007","90","","3245.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis-(2,3-di(thiophen-2'-yl)-5-methylquinoxaline)silver(I) nitrate","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κ<i>N</i>^1^](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C34 H24 Ag N5 O3 S4 -","- C34 H24 Ag N5 O3 S4 -","- C136 H96 Ag4 N20 O12 S16 -","4","0.5","BT4136","Crundwell, Guy; Ellis, Kristin M.","Bis[5-methyl-2,3-bis(thiophen-2-yl)quinoxaline-κN 1](nitrato-κ2 O,O′)silver(I)","IUCrData","2023","8","3","x230265","","10.1107/S2414314623002651","","x-ray","0.71073","MoKα","","0.0723","0.0412","","","0.0918","0.1068","","","","","","1.037","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569175","9.302","0.0008","10.4068","0.0009","12.0732","0.0011","86.046","0.002","82.838","0.002","88.953","0.002","1156.8","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(2,2'-Bipyridyl)(η^6^-<i>p</i>-cymene)iodidoruthenium(II) hexafluoridophosphate","","- C20 H22 F6 I N2 P Ru -","- C20 H22 F6 I N2 P Ru -","- C40 H44 F12 I2 N4 P2 Ru2 -","2","1","ZL4053","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","(2,2′-Bipyridyl)(η6-p-cymene)iodidoruthenium(II) hexafluoridophosphate","IUCrData","2023","8","5","x230392","","10.1107/S2414314623003929","","","0.71073","MoKα","","0.048","0.032","","","","0.0766","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569176","9.7925","0.0003","7.9648","0.0003","11.8039","0.0004","90","","113.553","0.001","90","","843.95","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-<i>b</i>]quinazolin-9(4<i>H</i>)-one","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C36 H40 N16 O4 -","4","1","TK4091","Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef","5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one","IUCrData","2023","8","5","x230409","","10.1107/S2414314623004091","","","1.54178","CuKα","","0.0303","0.03","","","0.0799","0.0801","","","","","","1.068","","","","has coordinates","300370","2025-07-05","10:13:02",""
"1569177","25.399","0.002","25.399","0.002","30.418","0.002","90","","90","","120","","16994","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","Tetrakis(triethylenediamin-1-ium) dodeca-μ~2~-chlorido-hexakis(thiocyanato-κ<i>N</i>)hexa-<i>octahedro</i>-niobate","","- C30 H52 Cl12 N14 Nb6 S6 -","- C30 H52 Cl12 N14 Nb6 S6 -","- C360 H624 Cl144 N168 Nb72 S72 -","12","0.666667","WM4186","Sperlich, Eric; Köckerling, Martin","Tetrakis(triethylenediamin-1-ium) dodeca-μ2-chlorido-hexakis(thiocyanato-κN)hexa-octahedro-niobate","IUCrData","2023","8","5","x230398","","10.1107/S241431462300398X","","","0.71073","MoKα","","0.0504","0.0396","","","0.0842","0.0932","","","","","","1.087","","","","has coordinates,has disorder","300370","2025-07-05","10:13:02",""
"1569178","9.8368","0.0014","10.2783","0.0015","13.2857","0.0018","97.689","0.009","108.305","0.008","108.103","0.008","1171.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate","","","- C25 H19 Cl2 N O2 S3 -","- C25 H19 Cl2 N O2 S3 -","- C50 H38 Cl4 N2 O4 S6 -","2","1","BT4137","Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner","5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate","IUCrData","2023","8","5","x230354","","10.1107/S2414314623003541","","","1.54178","CuKα","","0.0414","0.0379","","","0.1037","0.1065","","","","","","1.017","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569196","8.8872","0.0019","8.8922","0.0019","11.772","0.003","94.374","0.006","110.139","0.006","93.747","0.006","866.7","0.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","BH4074","Odedokun, Omobola A.; Ikotun, Adebomi A.; Ajaelu, Chijioke J.; Bhuvanesh, Nattamai","1-Benzyl-3-[(4-methoxyphenyl)imino]indolin-2-one","IUCrData","2023","8","5","x230418","","10.1107/S2414314623004182","","","0.71073","MoKα","","0.0571","0.0435","","","0.1009","0.1088","","","","","","1.025","","","","has coordinates","300370","2025-07-05","10:13:03",""
"1569231","9.1239","0.0002","22.1397","0.0006","9.5463","0.0003","90","","101.799","0.003","90","","1887.61","0.09","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Picolylammonium perchlorate monohydrate","Pyridin-4-ylmethanaminium perchlorate monohydrate","","- C6 H11 Cl N2 O5 -","- C6 H11 Cl N2 O5 -","- C48 H88 Cl8 N16 O40 -","8","2","WM4189","Seidel, Rüdiger W.; Kolev, Tsonko M.","Pyridin-4-ylmethanaminium perchlorate monohydrate","IUCrData","2023","8","5","x230459","","10.1107/S2414314623004595","","x-ray","0.71073","MoKα","","0.0736","0.0434","","","0.0887","0.1013","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:04",""
"1569259","10.8353","0.0002","13.3587","0.0002","30.3697","0.0004","90","","91.838","0.001","90","","4393.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-(4-Methoxyphenyl)-<i>N</i>'-(2-oxoindolin-3-ylidene)-1-phenyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C25 H19 N5 O3 -","- C25 H19 N5 O3 -","- C200 H152 N40 O24 -","8","2","HB4430","Abdel-Wahab, Bakr F.; Farahat, Abdelbasset A.; Bekheit, Mohamed S.; Yousif, Emad; Kariuki, Benson M.; El-Hiti, Gamal A.","(E)-5-(4-Methoxyphenyl)-N′-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide","IUCrData","2023","8","5","x230455","","10.1107/S2414314623004558","","","1.54184","CuKα","","0.0517","0.0415","","","0.112","0.1222","","","","","","1.021","","","","has coordinates,has disorder","300370","2025-07-05","10:13:06",""
"1569377","7.055","0.0004","7.1706","0.0003","9.4182","0.0006","90","","109.295","0.007","90","","449.69","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Barium bis(tetrafluoridoborate) trihydrate","","- B2 Ba F8 H6 O3 -","- B2 Ba F8 H6 O3 -","- B4 Ba2 F16 H12 O6 -","2","1","WM4190","Goreshnik, Evgeny; Vakulka, Andrii; Tavčar, Gašper","Low-temperature modification of Ba(BF4)2(H2O)3","IUCrData","2023","8","6","x230488","","10.1107/S2414314623004881","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.0876","0.0892","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:08",""
"1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κ<i>O</i>)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","x230462","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569379","12.3973","0.0004","4.7662","0.00015","31.5382","0.001","90","","99.318","0.003","90","","1838.94","0.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diheptyl-3,3'-bis[(pyridin-3-yl)ethynyl]-5<i>H</i>,5'<i>H</i>-dipyrrolo[1,2-<i>b</i>:1',2'-<i>g</i>][2,6]naphthyridine-5,5'-dione","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C84 H84 N8 O4 -","2","0.5","HB4432","Xiang, Juan; Gao, Huan; Ma, Zhengyu; Cai, Xiaohua; Zhang, Yu-Peng","6,6′-Diheptyl-3,3′-bis[(pyridin-3-yl)ethynyl]-5H,5′H-dipyrrolo[1,2-b:1′,2′-g][2,6]naphthyridine-5,5′-dione","IUCrData","2023","8","6","x230513","","10.1107/S2414314623005138","","","1.54184","CuKα","","0.1053","0.0899","","","0.2287","0.2545","","","","","","1.054","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","x230551","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","300370","2025-07-05","10:13:09",""
"1569407","7.9303","0.0006","11.2977","0.0009","11.9988","0.0009","82.468","0.004","77.379","0.004","73.419","0.004","1002.71","0.14","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile acetic acid monosolvate","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","HB4427","Chakraborty, Bimal Bhushan; Paul, Saurav; Anwar, Siddique; Choudhury, Sudip","2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile acetic acid monosolvate","IUCrData","2023","8","6","x230558","","10.1107/S2414314623005588","","","0.71073","MoKα","","0.0705","0.0503","","","0.1396","0.1571","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569530","9.6678","0.0008","10.9294","0.0011","11.7231","0.0008","90","","93.395","0.007","90","","1236.53","0.18","293.27","0.1","293.27","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-2-(2-methylanilino)benzoic acid","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","BV4047","Liu, Chenxin; Long, Sihui","4-Methyl-2-(2-methylanilino)benzoic acid","IUCrData","2023","8","7","x230599","","10.1107/S2414314623005990","","x-ray","1.54184","CuKα","","0.0565","0.0447","","","0.1185","0.1306","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569531","8.95081","0.00017","6.5411","0.00015","21.9729","0.0004","90","","91.2391","0.0018","90","","1286.17","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-(4-methylphenoxy)benzoic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","HB4431","Lu, Kangkang; Long, Sihui","3-Methyl-2-(4-methylphenoxy)benzoic acid","IUCrData","2023","8","7","x230600","","10.1107/S2414314623006004","","x-ray","1.54184","CuKα","","0.0464","0.0421","","","0.1193","0.1235","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569532","4.91237","0.00015","10.3037","0.0003","12.5876","0.0003","105.89","0.002","96.422","0.002","99.361","0.002","596.36","0.03","268.1","0.5","268.1","0.5","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","1","VM4061","Tian, Guimiao; Long, Sihui","N-(3-Chloro-2-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230602","","10.1107/S2414314623006028","","x-ray","1.54184","CuKα","","0.0649","0.0596","","","0.1755","0.1837","","","","","","1.09","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569533","7.373","0.0006","8.0091","0.0006","10.8545","0.0006","97.296","0.006","95.228","0.006","102.149","0.007","616.93","0.08","297.4","0.14","297.4","0.14","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","","- C12 H8 Cl2 N2 O2 -","- C12 H8 Cl2 N2 O2 -","- C24 H16 Cl4 N4 O4 -","2","1","WM4188","Tu, Ni; Long, Sihui","N-(2,6-Dichlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230603","","10.1107/S241431462300603X","","x-ray","1.54184","CuKα","","0.0789","0.0766","","","0.2064","0.2099","","","","","","1.033","","","","has coordinates","300370","2025-07-05","10:13:10",""
"1569534","11.3071","0.0012","22.044","0.003","21.557","0.003","90","","104.775","0.007","90","","5195.5","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[1,4-Di(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–\ 1,4-dibromobutane (1/1)","","- C55 H66 Br2 O10 -","- C55 H66 Br2 O10 -","- C220 H264 Br8 O40 -","4","0.5","XU4051","Vinodh, Mickey; Al-Azemi, Talal F.","1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex","IUCrData","2023","8","7","x230588","","10.1107/S2414314623005886","","","0.71075","MoKα","","0.1376","0.073","","","0.2142","0.2513","","","","","","1.045","","","","has coordinates,has disorder","300370","2025-07-05","10:13:10",""
"1569535","14.0775","0.0003","14.0775","0.0003","24.3492","0.0008","90","","90","","90","","4825.4","0.2","173","0.1","173","0.1","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","","- C34 H76 Cl8 Mn N2 -","- C34 H76 Cl8 Mn N2 -","- C136 H304 Cl32 Mn4 N8 -","4","0.25","WM4191","Hay, Michael T.; Yennawar, Hemant P.","Bis(tetrabutylammonium) tetrachloridomanganate(II) dichloromethane disolvate","IUCrData","2023","8","7","x230610","","10.1107/S2414314623006107","","x-ray","1.54184","CuKα","","0.1062","0.0754","","","0.2016","0.2215","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569536","6.68228","0.0001","11.79159","0.00018","13.1717","0.0002","90","","90","","90","","1037.86","0.03","275.8","0.2","275.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Oxo-<i>N</i>-phenyl-1,4-dihydropyridine-3-carboxamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","IM4020","Shu, Xi; Long, Sihui","4-Oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","x230601","","10.1107/S2414314623006016","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0819","0.0827","","","","","","1.06","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569537","10.8865","0.0002","10.31441","0.00018","11.0885","0.0002","90","","113.817","0.003","90","","1139.07","0.04","288.2","0.2","288.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-Chloroanilino)benzoic acid","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","1","BT4139","Liu, Xiaoting; Long, Sihui","4-(3-Chloroanilino)benzoic acid","IUCrData","2023","8","7","x230598","","10.1107/S2414314623005989","","x-ray","1.54184","CuKα","","0.0496","0.0466","","","0.1388","0.1426","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","x230639","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","300370","2025-07-05","10:13:11",""
"1569591","27.036","0.006","6.3093","0.0013","20.653","0.005","90","","105.536","0.006","90","","3394.2","1.3","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ-aqua)[μ~4~-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","","- C34 H38 Co2 N4 O11 -","- C34 H38 Co2 N4 O11 -","- C136 H152 Co8 N16 O44 -","4","0.5","BT4140","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[(μ-aqua)[μ4-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]","IUCrData","2023","8","7","x230648","","10.1107/S241431462300648X","","","0.71073","MoKα","","0.0581","0.0414","","","0.1007","0.1133","","","","","","1.061","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569592","27.558","0.01","14.873","0.005","9.146","0.003","90","","98.396","0.004","90","","3708","2","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~4~-3-(2-carboxylatophenyl)propionato]{<i>N</i>-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","","- C34 H40 Cu2 N4 O15 -","- C34 H40 Cu2 N4 O15 -","- C136 H160 Cu8 N16 O60 -","4","0.5","ZL4055","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[bis[μ4-3-(2-carboxylatophenyl)propionato]{N-[2-(pyridine-3-amido)ethyl]nicotinamide}dicopper(II)] pentahydrate]","IUCrData","2023","8","7","x230622","","10.1107/S2414314623006223","","","0.71073","MoKα","","0.1349","0.0792","","","0.1946","0.2297","","","","","","1.016","","","","has coordinates,has disorder","300370","2025-07-05","10:13:12",""
"1569661","9.6536","0.0009","9.0435","0.0009","21.599","0.002","90","","94.473","0.002","90","","1879.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-3-methoxyphenol","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","HB4442","Sung, Jiha","2-[5-(2,3-Dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methoxyphenol","IUCrData","2023","8","8","x230668","","10.1107/S2414314623006685","","","0.71073","MoKα","","0.1143","0.0586","","","0.1491","0.1841","","","","","","0.922","","","","has coordinates","300370","2025-07-05","10:13:12",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","x230674","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","300370","2025-07-05","10:13:13",""
"1569663","9.1138","0.0008","9.4045","0.0008","14.4758","0.0013","97.3","0.001","94.045","0.001","114.149","0.001","1112.63","0.17","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ~3~-3-(2-carboxylatophenyl)propionato][μ~2~-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate]","","- C24 H24 Cu N4 O7 -","- C24 H24 Cu N4 O7 -","- C48 H48 Cu2 N8 O14 -","2","1","BH4076","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ3-3-(2-carboxylatophenyl)propionato][μ2-N,N′-(ethane-1,2-diyl)bis(pyridine-4-carboxamide)]copper(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","8","x230679","","10.1107/S241431462300679X","","","0.71073","MoKα","","0.0522","0.0386","","","0.0849","0.0924","","","","","","1.05","","","","has coordinates,has disorder","300370","2025-07-05","10:13:13",""
"1569734","10.683","0.002","11.347","0.002","13.203","0.003","90","","107.491","0.003","90","","1526.5","0.5","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diethyl 2,2'-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","","- C28 H34 Cl N3 O9 S -","- C28 H34 Cl N3 O9 S -","- C56 H68 Cl2 N6 O18 S2 -","2","1","TK4094","Ramli, Youssef; Al Garadi, Wedad; El Hafi, Mohamed; Lhoussaine, Elghayati; Essassi, El Mokhtar; Alsubari, Abdulsalam; Mague, Joel T.","Diethyl 2,2′-[({2-chloro-5-[(2-ethoxy-2-oxoethyl)(2-methylindolin-1-yl)carbamoyl]phenyl}sulfonyl)azanediyl]diacetate","IUCrData","2023","8","8","x230699","","10.1107/S2414314623006995","","","0.71073","MoKα","","0.0744","0.056","","","0.1439","0.1539","","","","","","1.061","","","","has coordinates,has disorder","300370","2025-07-05","10:13:14",""
"1569756","8.7211","0.0002","10.4194","0.0002","10.5243","0.0007","106.426","0.007","109.09","0.008","90.373","0.006","861.67","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2'-bipyridine)chloridocopper(II)] dihydrate","","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","- C38 H32 Cl2 Cu2 N4 O6 -","1","0.5","TK4095","Nye, Luke; Telfer, Shane G.; Turnbull, Mark M.","μ-1,6-Dioxo-1,6-diphenylhexane-3,4-diolato-bis[(2,2′-bipyridine)chloridocopper(II)] dihydrate","IUCrData","2023","8","8","x230713","","10.1107/S2414314623007137","","","1.54178","CuKα","","0.0615","0.0474","","","0.112","0.121","","","","","","1.129","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569757","8.5431","0.0008","9.7391","0.0009","9.9667","0.0009","104.523","0.001","93.049","0.001","99.966","0.001","786.57","0.13","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ~3~-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","- C34 H32 Cu2 N4 O8 -","1","0.5","","Jia, Jason; LaDuca, Robert L.","Poly[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine]bis[μ3-4-(2-carboxylatoethyl)benzoato]dicopper(II)]","IUCrData","2023","8","8","x230745","","10.1107/S2414314623007459","","","0.71073","MoKα","","0.0535","0.0442","","","0.1075","0.1138","","","","","","1.12","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569775","13.7083","0.0005","8.65","0.0003","14.1183","0.0005","90","","99.724","0.001","90","","1650.05","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2-Bromoethyl)-5,5-diphenylimidazolidine-2,4-dione","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","TK4088","Guerrab, Walid; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.","IUCrData","2023","8","Pt 1","x230060","","10.1107/S2414314623000603","","","0.71073","MoKα","","0.0715","0.0516","","","0.1555","0.1703","","","","","","1.056","","","","has coordinates","286006","2023-09-05","01:59:31",""
"1569776","5.9685","0.0004","8.9642","0.0006","12.4927","0.0009","94.804","0.006","102.448","0.005","99.356","0.005","639.09","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4,5-Dibromo-3,3,6,6-tetramethyl-2,3,6,7-tetrahydrothiepine-1,1-dione","","- C10 H16 Br2 O2 S -","- C10 H16 Br2 O2 S -","- C20 H32 Br4 O4 S2 -","2","1","BT4132","Schollmeyer, Dieter; Detert, Heiner","(<i>Z</i>)-4,5-Di-bromo-3,3,6,6-tetra-methyl-2,3,6,7-tetra-hydro-thiepine-1,1-dione.","IUCrData","2023","8","Pt 1","x230042","","10.1107/S2414314623000421","","","0.71073","MoKα","","0.0443","0.0362","","","0.0826","0.089","","","","","","1.14","","","","has coordinates","286007","2023-09-05","02:00:17",""
"1569777","8.1119","0.0003","9.5566","0.0003","22.2332","0.0008","90.553","0.003","91.592","0.003","106.047","0.003","1655.5","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis[5-(3,5-didodecyloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dimethylpyrazine","","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","- C70 H112 N6 O6 -","1","0.5","BT4131","Joa, Benedikt; Schollmeyer, Dieter; Detert, Heiner","2,5-Bis[5-(3,5-dido-decyl-oxyphen-yl)-1,3,4-oxa-diazol-2-yl]-3,6-di-methyl-pyrazine.","IUCrData","2023","8","Pt 1","x230034","","10.1107/S2414314623000342","","","1.54178","CuKα","","0.0936","0.0504","","","0.1256","0.1432","","","","","","0.942","","","","has coordinates","286008","2023-09-05","02:00:38",""
"1569778","15.9302","0.0008","15.9302","0.0008","6.9779","0.0004","90","","90","","90","","1770.79","0.16","295","2","295","2","","","","","","","","4","I -4","I -4","82","","3-Chloro-<i>N</i>,<i>N</i>-dimethylpropan-1-aminium chloride","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C40 H104 Cl16 N8 -","8","1","HB4422","Bond, Marcus R.; Silwal, Sajan","3-Chloro-<i>N</i>,<i>N</i>-di-methyl-propan-1-aminium chloride.","IUCrData","2023","8","Pt 1","x230015","","10.1107/S2414314623000159","","","0.71073","MoKα","","0.0505","0.0387","","","0.0799","0.0847","","","","","","1.092","","","","has coordinates","286009","2023-09-05","02:00:58",""
"1569779","9.3758","0.0007","4.7862","0.0003","32.764","0.002","90","","96.34","0.003","90","","1461.27","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxylate","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C64 H64 N16 O12 -","4","1","BT4130","Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W","Methyl 1-[(6-meth-oxy-5-methyl-pyrimidin-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazole-7-carboxyl-ate: a combined X-ray and DFT study.","IUCrData","2023","8","Pt 1","x230025","","10.1107/S2414314623000251","","","0.71073","Mo-Kα","","0.0478","0.0387","","","0.0582","0.0607","","","","","","1.074","","","","has coordinates,has disorder","286010","2023-09-05","02:01:54",""
"1569780","11.0632","0.0003","16.9135","0.0005","13.4178","0.0003","90","","110.442","0.001","90","","2352.6","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ~2~-hydroxido-bis[di-<i>tert</i>-butylchloridotin(IV)]","","- C16 H38 Cl2 O2 Sn2 -","- C16 H38 Cl2 O2 Sn2 -","- C64 H152 Cl8 O8 Sn8 -","4","1","TK4087","Reuter, Hans","Redetermination of the crystal structure of di-μ<sub>2</sub>-hydroxido-bis-[di-<i>tert</i>-butyl-chlorido-tin(IV)] at 100 K.","IUCrData","2023","8","Pt 1","x230056","","10.1107/S2414314623000561","","","0.71073","MoKα","","0.0173","0.014","","","0.0329","0.0344","","","","","","1.064","","","","has coordinates","286011","2023-09-05","02:02:33",""
"1569781","13.071","0.003","10.458","0.003","13.358","0.003","90","","90.576","0.019","90","","1825.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Brasixanthone B","5,8-Dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-<i>b</i>]xanthen-6-one","","- C23 H22 O5 -","- C23 H22 O5 -","- C92 H88 O20 -","4","1","PK4037","Binti Seruji, Nurr Maria Ulfa; Rosli, Mohd Mustaqim; Jong, Vivien Yi Mian; Karunakaran, Thiruventhan; Lizazman, Mas Atikah; Marlina, Anita; Binti Halid, Yanti Yana","5,8-Dihy-droxy-2,2-dimethyl-12-(3-methyl-but-2-en-yl)pyrano[3,2-<i>b</i>]xanthen-6-one (brasixanthone B).","IUCrData","2023","8","Pt 1","x221198","","10.1107/S2414314622011981","","","0.71073","MoKα","","0.1102","0.0628","","","0.1543","0.1975","","","","","","1.076","","","","has coordinates","286012","2023-09-05","02:03:01",""
"1569782","10.0982","0.0012","8.2447","0.0011","19.365","0.003","90","","98.592","0.012","90","","1594.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Chlorophenyl)imino]-1,2-diphenylethanone","","- C20 H15 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","HB4414","Ziani, Nouara; Ouarda, Brihi; Kadri, Soumia; Jeanneau, Erwann; Warad, Ismail; Djedouani, Amel","2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.","IUCrData","2023","8","Pt 1","x230065","","10.1107/S2414314623000652","","","0.71073","MoKα","","0.0931","0.0622","","","0.1492","0.1864","","","","","","1.114","","","","has coordinates","286013","2023-09-05","02:03:48",""
"1569783","4.92171","0.00014","4.92171","0.00014","4.92171","0.00014","90","","90","","90","","119.22","0.006","100","0.1","100","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver(I) fluoride","","- Ag F -","- Ag F -","- Ag4 F4 -","4","0.0208333","WM4179","Lozinšek, Matic; Belak Vivod, Matic; Dragomir, Mirela","Crystal structure reinvestigation of silver(I) fluoride, AgF.","IUCrData","2023","8","Pt 1","x230018","","10.1107/S2414314623000184","","x-ray","0.56087","AgKα","","0.0108","0.0108","","","0.0203","0.0203","","","","","","1.28","","","","has coordinates","286014","2023-09-05","02:04:32",""
"1569784","5.8027","0.0002","7.5404","0.0003","10.1345","0.0004","70.483","0.002","84.15","0.002","84.208","0.003","414.72","0.03","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","alloxazine","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C20 H12 N8 O4 -","2","1","HB4421","Uppu, Rao M.; Fronczek, Frank R.","1<i>H</i>-Benzo[<i>g</i>]pteridine-2,4-dione.","IUCrData","2023","8","Pt 1","x221223","","10.1107/S2414314622012238","","","1.54184","CuKα","","0.0698","0.0484","","","0.1319","0.1438","","","","","","1.066","","","","has coordinates","286015","2023-09-05","02:04:55",""
"1569785","10.551","0.003","12.444","0.004","13.804","0.005","95.258","0.01","101.022","0.009","94.954","0.01","1761.5","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane 0.8-solvate","","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C32.8 H39.6 B Cl1.6 F4 Ir N3 P -","- C65.6 H79.2 B2 Cl3.2 F8 Ir2 N6 P2 -","2","1","WM4181","Smith, Troy E.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phos-phane)iridium(I) tetra-fluorido-borate di-chloro-methane 0.8-solvate.","IUCrData","2023","8","Pt 1","x230064","","10.1107/S2414314623000640","","","0.71073","MoKα","","0.0358","0.0283","","","0.06","0.0625","","","","","","1.041","","","","has coordinates","286016","2023-09-05","02:05:30",""
"1569786","5.44197","0.00004","13.09134","0.00008","14.36102","0.00009","90","","90","","90","","1023.12","0.012","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aquatrifluoridoboron–1,3-dioxolan-2-one (1/2)","","- C6 H10 B F3 O7 -","- C6 H10 B F3 O7 -","- C24 H40 B4 F12 O28 -","4","1","WM4182","Radan, Kristian; Forero-Saboya, Juan; Ponrouch, Alexandre; Lozinšek, Matic","Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).","IUCrData","2023","8","Pt 1","x230062","","10.1107/S2414314623000627","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.05","0.0503","","","","","","1.038","","","","has coordinates","286017","2023-09-05","02:06:06",""
"1569787","5.967","0.004","4.092","0.003","20.358","0.014","90","","93.08","0.018","90","","496.4","0.6","263","2","263","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-(Allyloxy)benzohydrazide","4-(Prop-2-en-1-yloxy)benzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio","4-(All-yloxy)benzohydrazide.","IUCrData","2023","8","Pt 1","x221195","","10.1107/S2414314622011956","","","0.71075","MoKα","","0.0924","0.0807","","","0.2188","0.2276","","","","","","1.046","","","","has coordinates","286018","2023-09-05","02:06:29",""
"1569788","8.23147","0.00011","7.16385","0.00009","9.24494","0.00014","90","","97.8459","0.0013","90","","540.062","0.013","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralone","","- C12 H11 F3 O2 -","- C12 H11 F3 O2 -","- C24 H22 F6 O4 -","2","1","WM4178","Motaln, Klemen; Cotman, Andrej Emanuel; Lozinšek, Matic","(<i>S</i>)-2-[(<i>S</i>)-2,2,2-Tri-fluoro-1-hy-droxy-eth-yl]-1-tetra-lone.","IUCrData","2023","8","Pt 1","x221209","","10.1107/S2414314622012093","","x-ray","1.54184","CuKα","","0.0218","0.0215","","","0.0557","0.0559","","","","","","1.061","","","","has coordinates","286019","2023-09-05","02:06:55",""
"1569848","15.587","0.002","6.7579","0.001","20.942","0.003","90","","111.614","0.002","90","","2050.8","0.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-succinato)dicopper(II)]","","- C19 H18 Cu2 N4 O9 -","- C19 H18 Cu2 N4 O9 -","- C76 H72 Cu8 N16 O36 -","4","1","BH4078","Ezenyilimba, Frederick; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-succinato)dicopper(II)], a ribbon-like coordination polymer","IUCrData","2023","8","9","x230747","","10.1107/S2414314623007472","","","0.71073","MoKα","","0.1015","0.0561","","","0.1232","0.1509","","","","","","0.985","","","","has coordinates","300370","2025-07-05","10:13:14",""
"1569849","8.7642","0.0008","10.8653","0.0009","12.6564","0.0011","65.094","0.003","75.354","0.003","76.718","0.003","1047.12","0.16","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(4-acetoxy-<i>N</i>-ethyl-<i>N</i>-<i>n</i>-propyltryptammonium) fumarate–fumaric acid (1/1)","Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl](ethyl)propylazanium} but-2-enedioate–(<i>E</i>)-butenedioic acid (1/1)","","- C21 H28 N2 O6 -","- C21 H28 N2 O6 -","- C42 H56 N4 O12 -","2","1","HB4447","Pham, Duyen N. K.; Sackett, Nathan B.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(4-acetoxy-N-ethyl-N-n-propyltryptammonium) fumarate–fumaric acid (1/1)","IUCrData","2023","8","9","x230779","","10.1107/S2414314623007794","","","0.71073","MoKα","","0.0751","0.0561","","","0.1258","0.137","","","","","","1.026","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569850","13.632","0.004","13.632","0.004","17.507","0.006","90","","90","","90","","3253.4","1.8","153","2","153","","","","","","","","","4","I 41","I 4bw","80","","<i>N</i>,<i>N</i>'-[1,4-Phenylenebis(iminocarbonyl)]bis(<i>L</i>-phenylalanine) tetrahydrofuran disolvate","","- C34 H42 N4 O8 -","- C34 H42 N4 O8 -","- C136 H168 N16 O32 -","4","0.5","BH4077","Stapf, Manuel; Schwarzer, Anke","N,N′-[1,4-Phenylenebis(iminocarbonyl)]bis(L-phenylalanine) tetrahydrofuran disolvate","IUCrData","2023","8","9","x230743","","10.1107/S2414314623007435","","","0.71073","MoKα","","0.0446","0.0395","","","0.1014","0.1067","","","","","","1.053","","","","has coordinates,has disorder","300370","2025-07-05","10:13:15",""
"1569851","8.5016","0.0011","10.1996","0.0016","13.4724","0.0016","104.368","0.001","91.416","0.001","99.03","0.001","1115.2","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3^1^<i>E</i>,3^2^<i>Z</i>,7^1^<i>E</i>,7^2^<i>Z</i>)-4,8-Bis(3,5-dichlorophenyl)-1^4^,3^3^,5^3^,7^3^-tetrapropyl-1^1^<i>H</i>,3^2^<i>H</i>,5^1^<i>H</i>,7^2^<i>H</i>-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","- C50 H44 Cl4 N4 S2 -","1","0.5","XU4052","Ishimaru, Yoshihiro; Ikeda, Ryo; Fujihara, Takashi","(31 E,32 Z,71 E,72 Z)-4,8-Bis(3,5-dichlorophenyl)-14,33,53,73-tetrapropyl-11 H,32 H,51 H,72 H-1,5(2,5),3,7(5,2)-tetrapyrrola-2,6(2,5)-dithiophenacyclooctaphane","IUCrData","2023","8","9","x230766","","10.1107/S2414314623007666","","","0.71073","MoKα","","0.0454","0.034","","","0.0842","0.0895","","","","","","1.219","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569852","10.718","0.004","10.933","0.003","11.586","0.003","113.462","0.004","109.626","0.004","96.053","0.004","1127.2","0.6","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-adamantane-1,3-dicarboxylato)aqua[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate]","","- C23 H27 N3 Ni O7 -","- C23 H27 N3 Ni O7 -","- C46 H54 N6 Ni2 O14 -","2","1","","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-dicarboxylato)aqua[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with (4,4) topology","IUCrData","2023","8","9","x230758","","10.1107/S2414314623007587","","","0.71073","MoKα","","0.0535","0.0417","","","0.1066","0.1148","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:15",""
"1569853","7.9413","0.0013","10.4614","0.0016","11.3198","0.0018","70.6534","0.0018","87.8784","0.0019","73.9621","0.0018","851.2","0.2","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dinicotinamide]","","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","- C34 H32 Cu N4 O12 -","1","0.5","","Pumford, Sean R.; LaDuca, Robert L.","catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]","IUCrData","2023","8","9","x230764","","10.1107/S2414314623007642","","","0.71073","MoKα","","0.04","0.0355","","","0.0897","0.0932","","","","","","1.058","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569854","10.68706","0.00009","19.53919","0.00016","19.31983","0.00017","90","","91.7888","0.0007","90","","4032.33","0.06","100.01","0.12","100.01","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(dimethoxyethane)magnesium pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)hydroxidooxidodialuminate","Bis(dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ^3^<i>O</i>,3κ^2^<i>O</i>-μ-hydroxido-1:3κ^2^<i>O</i>-μ~3~-oxido-1:2:3κ^3^<i>O</i>-magnesiumdialuminium","","- C23 H26 Al2 F30 Mg O11 -","- C23 H26 Al2 F30 Mg O11 -","- C92 H104 Al8 F120 Mg4 O44 -","4","1","HB4443","Lozinšek, Matic; Pavčnik, Tjaša; Bitenc, Jan","Bis(dimethoxyethane-1κ2 O,O′)pentakis(1,1,1,3,3,3-hexafluoropropan-2-olato)-2κ3 O,3κ2 O-μ-hydroxido-1:3κ2 O-μ3-oxido-1:2:3κ3 O-magnesiumdialuminium","IUCrData","2023","8","9","x230716","","10.1107/S2414314623007162","","x-ray","0.56087","AgKα","","0.046","0.0326","","","0.0843","0.0911","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569865","6.5733","0.0002","8.0601","0.0002","15.828","0.0004","95.442","0.002","99.527","0.002","90.36","0.002","823.09","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","Benzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate","(<i>Z</i>)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C34 H30 N6 O2 S4 -","2","1","HB4449","Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.; Mohammat, Mohd Fazli; Mohd Aluwi, Mohd Fadhlizil Fasihi; Jumali, Nor Saliyana","(Z)-Benzyl 2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbodithioate","IUCrData","2023","8","9","x230782","","10.1107/S2414314623007824","","x-ray","1.54184","CuKα","","0.0369","0.0344","","","0.095","0.0968","","","","","","1.073","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569866","5.7234","0.0001","11.2961","0.0001","12.6591","0.0002","90","","98.82","0.001","90","","808.76","0.02","299.7","0.1","299.7","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","","- C6 H13 Cl N2 -","- C6 H13 Cl N2 -","- C24 H52 Cl4 N8 -","4","1","HB4444","Artis, Rylan; Padgett, Clifford W.; Quillian, Brandon","1-(Pyrrolidin-1-yl)ethan-1-iminium chloride","IUCrData","2023","8","9","x230790","","10.1107/S2414314623007903","","x-ray","1.54184","CuKα","","0.036","0.0329","","","0.0977","0.1002","","","","","","1.089","","","","has coordinates,has disorder","300370","2025-07-05","10:13:16",""
"1569867","7.2107","0.0008","10.2179","0.0013","20.863","0.003","90","","90.562","0.004","90","","1537.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,4-Dichlorobenzylidene)[2-(1<i>H</i>-indol-3-yl)ethyl]amine","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","HB4446","Murugan, Suganya; Paul, Anaglit Catherine; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","(2,4-Dichlorobenzylidene)[2-(1H-indol-3-yl)ethyl]amine","IUCrData","2023","8","9","x230780","","10.1107/S2414314623007800","","","0.71073","MoKα","","0.1223","0.0482","","","0.1054","0.1344","","","","","","1.007","","","","has coordinates","300370","2025-07-05","10:13:16",""
"1569883","8.1283","0.0002","21.3822","0.0007","8.6376","0.0002","90","","101.713","0.003","90","","1469.96","0.07","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C42 H84 Br6 N18 -","6","1.5","HB4448","Maynard, Aaron; Keller, Taylor M.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","1-Ethyl-4-isopropyl-1,2,4-triazolium bromide","IUCrData","2023","8","9","x230784","","10.1107/S2414314623007848","","x-ray","0.71073","MoKα","","0.0314","0.0224","","","0.0494","0.0516","","","","","","1.038","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569931","17.282","0.003","16.324","0.003","12.698","0.004","90","","131.754","0.002","90","","2672.4","1.1","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","","- C26 H32 N4 Ni O6 -","- C26 H32 N4 Ni O6 -","- C104 H128 N16 Ni4 O24 -","4","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[diaqua[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(carboxylatoethyl)benzoato]nickel(II)]","IUCrData","2023","8","9","x230788","","10.1107/S2414314623007885","","","0.71073","MoKα","","0.0711","0.0571","","","0.1352","0.1489","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569932","3.73339","0.00004","6.97307","0.00005","12.87327","0.00009","90","","97.1579","0.0008","90","","332.52","0.005","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitrobenzonitrile","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C14 H8 N4 O4 -","2","1","HB4451","Virant, Miha; Siljanovska, Ana; Cerkovnik, Janez; Lozinšek, Matic","3-Nitrobenzonitrile","IUCrData","2023","8","9","x230814","","10.1107/S2414314623008143","","x-ray","1.54184","CuKα","","0.0242","0.0241","","","0.0689","0.069","","","","","","1.089","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569933","9.7753","0.0007","11.2349","0.0008","12.6422","0.0009","90.946","0.001","111.5","0.001","94.586","0.001","1286.11","0.16","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ^2^<i>N</i>:<i>N</i>'][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>^2^]zinc(II)] 2.5 hydrate]","","- C26 H27 N4 O8.5 Zn -","- C26 H27 N4 O8.5 Zn -","- C52 H54 N8 O17 Zn2 -","2","1","","Glatz, Erika J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylcarbonyl)piperazine-κ2 N:N′][μ-2-(2-carboxylatoeth-1-en-1-yl)benzoato-κ2 O:O 2]zinc(II)] 2.5 hydrate]: a tri-periodic coordination polymer with a dimer-based six-connected pcu topology","IUCrData","2023","8","9","x230811","","10.1107/S2414314623008118","","","0.71073","MoKα","","0.0498","0.0417","","","0.103","0.1094","","","","","","1.046","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1569934","20.833","0.004","9.6413","0.0015","15.654","0.003","90","","136.283","0.01","90","","2173","0.8","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-acetato-κ^2^<i>O</i>:<i>O</i>')bis[(tetrahydrofuran-κ<i>O</i>)chromium(II)](<i>Cr</i>—<i>Cr</i>)","","- C16 H28 Cr2 O10 -","- C16 H28 Cr2 O10 -","- C64 H112 Cr8 O40 -","4","0.5","WM4196","Heiser, Christian; Merzweiler, Kurt","Tetrakis(μ-acetato-κ2 O:O′)bis[(tetrahydrofuran-κO)chromium(II)]","IUCrData","2023","8","9","x230801","","10.1107/S2414314623008015","","x-ray","0.71073","MoKα","","0.0315","0.0284","","","0.0825","0.0844","","","","","","1.056","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1569935","8.4267","0.0019","14.084","0.003","10.9","0.002","90","","91.953","0.008","90","","1292.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","4-Amino-3,5-dichloropyridinium 3-hydroxypyridine-2-carboxylate monohydrate","","- C11 H11 Cl2 N3 O4 -","- C11 H11 Cl2 N3 O4 -","- C44 H44 Cl8 N12 O16 -","4","1","HB4452","Ashokan, Agalya; Nehru, Jayasudha; Chakkarapani, Nandhini; Khamrang, Themmila; Kavitha, Savaridasan Jose; Rajakannan, Venkatachalam; Hemamalini, Madhukar","4-Amino-3,5-dichloropyridinium 3-hydroxypicolinate monohydrate","IUCrData","2023","8","9","x230821","","10.1107/S2414314623008210","","","0.71073","MoKα","","0.0403","0.0334","","","0.0864","0.0905","","","","","","1.03","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570007","8.5042","0.0011","13.3095","0.0017","20.921","0.003","90","","101.348","0.001","90","","2321.7","0.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ~4~-glutarato)dicopper(II)]","","- C21 H22 Cu2 N4 O9 -","- C21 H22 Cu2 N4 O9 -","- C84 H88 Cu8 N16 O36 -","4","1","","Ezenyilimba, Frederick C.; LaDuca, Robert L.","Poly[[μ-1,3-bis(pyridin-3-yl)urea]bis(μ4-glutarato)dicopper(II)]","IUCrData","2023","8","9","x230833","","10.1107/S2414314623008337","","","0.71073","MoKα","","0.0619","0.0424","","","0.0964","0.1094","","","","","","1.032","","","","has coordinates","300370","2025-07-05","10:13:17",""
"1570038","18.402","0.002","33.377","0.004","17.963","0.002","90","","90","","90","","11033","2","173.15","","173.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate]","","- C26 H30 Cu N4 O5 -","- C26 H28 Cu N4 O5 -","- C416 H448 Cu16 N64 O80 -","16","1","","Gaskin, Gabrielle J.; LaDuca, Robert L.","Poly[[[μ-1,4-bis(pyridin-4-ylmethyl)piperazine][μ-4-(2-carboxylatoethyl)benzoato]copper(II)] monohydrate], a coordination polymer with twofold interpenetrated cds topology networks","IUCrData","2023","8","10","x230855","","10.1107/S2414314623008556","","","0.71073","MoKα","","0.1247","0.1025","","","0.2709","0.3024","","","","","","1.164","","","","has coordinates,has disorder","300370","2025-07-05","10:13:17",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","x230869","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","x230856","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","300370","2025-07-05","10:13:18",""
"1570106","2.9405","0.0015","2.9405","0.0015","2.9405","0.0015","90","","90","","90","","25.43","0.02","299","2","299","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Aluminium copper iron","","- Al0.88 Cu0.94 Fe0.18 -","- Al0.88 Cu0.92 Fe0.2 -","- Al0.88 Cu0.92 Fe0.2 -","1","0.0208333","HB4450","Liu, Yibo; Liu, Huizi; Wen, Bin; Fan, Changzeng","Al0.88Cu0.94Fe0.18","IUCrData","2023","8","10","x230870","","10.1107/S2414314623008702","","","0.71073","MoKα","","0.0133","0.0133","","","0.0306","0.0306","","","","","","1.442","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570155","10.8268","0.0002","12.5379","0.0002","14.0896","0.0002","87.421","0.001","86.988","0.001","77.089","0.002","1860.58","0.05","100","","99.96","0.14","","","","","","","","8","P -1","-P 1","2","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C34.5 H43 B Cl3 F4 Ir N3 P -","- C69 H86 B2 Cl6 F8 Ir2 N6 P2 -","2","1","HB4453","Maynard, Aaron; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isopropyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane sesquisolvate","IUCrData","2023","8","10","x230903","","10.1107/S2414314623009033","","","0.71073","MoKα","","0.0275","0.0244","","","0.0585","0.0593","","","","","","1.047","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570156","10.0602","0.0013","6.7704","0.0009","14.524","0.002","90","","110.168","0.002","90","","928.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-<i>N</i>-(4-fluorophenyl)acetamide","","- C20 H17 Cl F N3 O2 -","- C20 H17 Cl F N3 O2 -","- C40 H34 Cl2 F2 N6 O4 -","2","1","HB4454","Assila, Hamza; Ameziane El Hassani, Issam; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, MHammed","2-[4-(2-Chlorobenzyl)-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl]-N-(4-fluorophenyl)acetamide","IUCrData","2023","8","10","x230901","","10.1107/S241431462300901X","","","0.71073","MoKα","","0.061","0.0483","","","0.121","0.1308","","","","","","1.03","","","","has coordinates,has disorder","300370","2025-07-05","10:13:18",""
"1570157","11.7058","0.0008","7.2365","0.0005","7.6864","0.0005","90","","96.374","0.002","90","","647.08","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(<i>O</i>-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","","- C4 H16 Cd Cl4 N2 O2 -","- C4 H16 Cd Cl4 N2 O2 -","- C8 H32 Cd2 Cl8 N4 O4 -","2","0.5","WM4199","Tong, Yu-Qiao; Lei, Zi-Qiong; Huang, Bo","Poly[bis(O-ethylhydroxylaminium) [di-μ-chlorido-dichloridocadmate(II)]]","IUCrData","2023","8","10","x230898","","10.1107/S2414314623008982","","","0.71073","MoKα","","0.0238","0.0231","","","0.0539","0.0543","","","","","","1.072","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570191","12.2614","0.0001","10.8318","0.0001","14.6297","0.0001","90","","108.523","0.001","90","","1842.36","0.03","99.98","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","","- C30 H48 Cl4 F6 N2 Sn -","- C30 H48 Cl4 F6 N2 Sn -","- C60 H96 Cl8 F12 N4 Sn2 -","2","0.5","TK4096","Song, Xueqing; Li, William","Bis(diisobutylammonium) tetrachloridobis[3-(trifluoromethyl)phenyl]stannate","IUCrData","2023","8","10","x230913","","10.1107/S2414314623009136","","","1.54184","CuKα","","0.0285","0.0273","","","0.0735","0.0749","","","","","","1.084","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570232","10.125","0.005","11.222","0.005","15.995","0.007","79.117","0.008","83.484","0.009","72.829","0.008","1701.9","1.4","298","2","298","","","","","","","","","5","P -1","-P 1","2","6,7-Diphenyl-5λ^6^-thia-7-azaspiro[2.6]nonane-5,5,8-trione","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","2","HB4455","Yennawar, Hemant P.; Russell, Michael W.; Silverberg, Lee J.","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide","IUCrData","2023","8","10","x230937","","10.1107/S2414314623009379","","","0.71073","MoKα","","0.1567","0.0785","","","0.1678","0.2067","","","","","","0.913","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570306","13.6565","0.0003","5.8286","0.0002","20.6721","0.0006","90","","92.751","0.002","90","","1643.57","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-<i>N</i>-phenylhydrazinecarbothioamide","","- C18 H23 N3 S -","- C18 H23 N3 S -","- C72 H92 N12 S4 -","4","1","BT4142","Oliveira, Adriano Bof; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg","2-{3-Methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}-N-phenylhydrazinecarbothioamide","IUCrData","2023","8","11","x230971","","10.1107/S2414314623009719","","x-ray","0.71073","MoKα","","0.0642","0.0393","","","0.0836","0.0945","","","","","","1.064","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570307","10.261","0.005","11.243","0.005","20.198","0.009","84.857","0.015","87.185","0.016","72.525","0.015","2213","1.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Bis[bis(diphenylphosphanyl)methane-κ^2^<i>P</i>,<i>P</i>']dichloridoruthenium(II)","","- C50 H44 Cl2 P4 Ru -","- C50 H44 Cl2 P4 Ru -","- C100 H88 Cl4 P8 Ru2 -","2","1","WM4201","Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop","trans-Bis[bis(diphenylphosphanyl)methane-κ2 P,P′]dichloridoruthenium(II): a triclinic polymorph","IUCrData","2023","8","11","x230984","","10.1107/S2414314623009847","","","0.71073","MoKα","","0.0477","0.0337","","","0.0752","0.0829","","","","","","1.041","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570308","9.8996","0.0007","10.0299","0.0007","17.9841","0.0013","73.81","0.003","86.774","0.004","83.592","0.003","1703.6","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","1-(1-Hydroxycyclohexyl)cyclohexan-1-ol","[1,1'-Bicyclohexane]-1,1'-diol","","- C12 H22 O2 -","- C12 H22 O2 -","- C72 H132 O12 -","6","3","BT4141","Mtendeni, Zukisani; Hosten, Eric Cyriel; Betz, Richard","[1,1′-Bicyclohexane]-1,1′-diol","IUCrData","2023","8","11","x230969","","10.1107/S2414314623009690","","","0.71073","MoKα","","0.0658","0.0421","","","0.0986","0.1101","","","","","","1.023","","","","has coordinates","300370","2025-07-05","10:13:19",""
"1570362","9.3312","0.0019","19.124","0.004","9.977","0.002","90","","95.453","0.007","90","","1772.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","","- C21 H15 N3 O S -","- C21 H15 N3 O S -","- C84 H60 N12 O4 S4 -","4","1","HB4458","Koh, Dongsoo","(E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-(thiazol-2-yl)prop-2-en-1-one","IUCrData","2023","8","11","x230997","","10.1107/S2414314623009975","","","0.71073","MoKα","","0.0948","0.0458","","","0.0999","0.1269","","","","","","1.022","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570369","5.04322","0.00003","18.11509","0.00013","14.46487","0.0001","90","","90.46","0.0006","90","","1321.44","0.015","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 1-(4-fluorobenzyl)-1<i>H</i>-indazole-3-carboxylate","","- C16 H13 F N2 O2 -","- C16 H13 F N2 O2 -","- C64 H52 F4 N8 O8 -","4","1","ZL4059","Doi, Takahiro; Sakai, Takayuki","Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate","IUCrData","2023","8","11","x230995","","10.1107/S2414314623009951","","x-ray","1.54184","CuKα","","0.0315","0.0309","","","0.0772","0.0778","","","","","","1.026","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570478","5.867","0.003","11.79","0.004","27.983","0.009","90","","94.907","0.014","90","","1928.5","1.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fixolide 4-methylthiosemicarbazone","2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarboamide","","- C20 H31 N3 S -","- C20 H31 N3 S -","- C80 H124 N12 S4 -","4","1","BT4144","Melo, Ana Paula Lopes de; Flores, Alex Fabiani Claro; Bresolin, Leandro; Tirloni, Bárbara; Oliveira, Adriano Bof de","2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide","IUCrData","2023","8","11","x231020","","10.1107/S2414314623010209","","x-ray","0.71073","MoKα","","0.1261","0.0785","","","0.1771","0.2012","","","","","","1.06","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570479","15.0159","0.0007","8.0595","0.0003","10.8243","0.0005","90","","94.372","0.003","90","","1306.15","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis-jasmone thiosemicarbazone","2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C12 H19 N3 S -","- C12 H19 N3 S -","- C48 H76 N12 S4 -","4","1","","Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg","A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","IUCrData","2023","8","11","x231018","","10.1107/S2414314623010180","","x-ray","0.71073","MoKα","","0.0798","0.054","","","0.1297","0.1427","","","","","","1.086","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""
"1570560","2.9057","0.0005","2.9057","0.0005","2.9057","0.0005","90","","90","","90","","24.533","0.007","300","2","300","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","Ferroaluminium","Aluminium iron","","- Al Fe0.95 -","- Al Fe0.9499 -","- Al Fe0.9499 -","1","0.0208333","","Liu, Yibo; Liu, Huizi; Fan, Changzeng; Bin, Wen; Zhang, Lifeng","Crystal structure of AlFe0.95","IUCrData","2023","8","12","x231065","","10.1107/S2414314623010659","","","0.71073","MoKα","","0.0097","0.0097","","","0.0262","0.0262","","","","","","1.435","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570561","15.4103","0.0003","10.1338","0.0002","13.4284","0.0002","90","","108.692","0.002","90","","1986.44","0.07","291.15","","291.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate","","- C12 H26 N2 Ni O12 S2 -","- C12 H26 N2 Ni O12 S2 -","- C48 H104 N8 Ni4 O48 S8 -","4","0.5","WM4202","Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.","Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate","IUCrData","2023","8","12","x231032","","10.1107/S2414314623010325","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0847","0.0851","","","","","","1.047","","","","has coordinates","300370","2025-07-05","10:13:20",""
"1570593","13.4628","0.0002","17.2828","0.0003","21.7586","0.0004","84.624","0.002","84.857","0.003","85.114","0.004","5005.05","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","<i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","<i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate","","- C62 H52 N8 O2 -","- C62 H52 N8 O2 -","- C248 H208 N32 O8 -","4","2","BH4080","Sun, Xiaotao; Li, Jianfeng","meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate","IUCrData","2023","8","12","x231085","","10.1107/S2414314623010854","","","0.71073","MoKα","","0.1108","0.0721","","","0.1795","0.2231","","","","","","1.07","","","","has coordinates,has disorder","300370","2025-07-05","10:13:20",""