# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:24:54+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 'Acta crystallographica. Section C, Structural chemistry') AND volume = 79 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
"2022700","19.294","0.003","9.4173","0.0008","13.743","0.0012","90","","108.57","0.005","90","","2367.1","0.5","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-iminium chloride; 2-imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine monohydrate","","- C8 H17 Cl N6 O -","- C8 H17 Cl N6 O -","- C64 H136 Cl8 N48 O8 -","8","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0551","0.0435","","","0.1082","0.116","","","","","","1.028","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022701","5.9577","0.0004","6.7494","0.0005","6.8249","0.0005","101.641","0.004","104.225","0.006","111.425","0.004","234.36","0.03","100.02","","100.02","","","","","","","","","3","P -1","-P 1","2","","2-Imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine","","- C4 H7 N3 -","- C4 H7 N3 -","- C8 H14 N6 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0889","0.0916","","","","","","1.094","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022702","7.3685","0.0005","8.0074","0.0007","8.4211","0.0009","90","","115.741","0.005","90","","447.56","0.07","99.99","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-one","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C16 H24 N8 O4 -","4","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","1.54178","CuKα","","0.0386","0.0331","","","0.0858","0.0888","","","","","","1.029","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022703","6.3296","0.0019","7.0222","0.0019","7.351","0.002","84.975","0.013","71.693","0.013","63.889","0.012","278.05","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","6-Amino-4,5-dihydropyridin-2(3<i>H</i>)-one","","- C5 H8 N2 O -","- C5 H8 N2 O -","- C10 H16 N4 O2 -","2","1","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","x-ray","0.71073","MoKα","","0.055","0.0426","","","0.1125","0.1195","","","","","","1.059","","","","has coordinates,has Fobs","283572","2023-05-06","10:43:23",""
"2022704","9.4887","0.0009","14.5341","0.0011","12.2828","0.001","90","","111.32","0.008","90","","1578","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Imino-3,4,5,6-tetrahydropyridin-2-amine methanol monosolvate","","- C6 H13 N3 O -","- C6 H13 N3 O -","- C48 H104 N24 O8 -","8","2","EP3031","Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.","Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","133","141","10.1107/S2053229623002036","","","1.54178","CuKα","","0.0432","0.04","","","0.105","0.1076","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","283572","2023-05-06","10:43:23",""
"2022705","9.7839","0.0011","10.2313","0.0011","18.272","0.002","90","","97.125","0.001","90","","1814.9","0.3","125.01","","125.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","5-[(<i>E</i>)-2-Chloroethenyl]-1,3,4-oxathiazol-2-one","","- C4 H2 Cl N O2 S -","- C4 H2 Cl N O2 S -","- C48 H24 Cl12 N12 O24 S12 -","12","6","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0494","0.0362","","","0.0767","0.0846","","","","","","1.049","","","","has coordinates,has Fobs","283574","2023-05-06","10:43:49",""
"2022706","6.5967","0.0002","24.1942","0.0009","9.1724","0.0003","90","","91.904","0.001","90","","1463.12","0.08","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>rac</i>-2,3-Dibromo-3-chloropropanamide","","- C3 H4 Br2 Cl N O -","- C3 H4 Br2 Cl N O -","- C24 H32 Br16 Cl8 N8 O8 -","8","4","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0551","0.0481","","","0.1331","0.1391","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022707","7.1195","0.0002","16.4402","0.0005","9.7821","0.0003","90","","90","","90","","1144.96","0.06","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>rac</i>-5-(1,2-Dibromo-2-phenylethyl)-1,3,4-oxathiazol-2-one","","- C10 H7 Br2 N O2 S -","- C10 H7 Br2 N O2 S -","- C40 H28 Br8 N4 O8 S4 -","4","1","DV3021","George, Tanner; McWilliams, Samantha W.; Masuda, Jason D.; Schriver, Melbourne J.","Synthesis and crystal structures of halogenated oxathiazolones and an unexpected propanamide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","125","132","10.1107/S2053229623002152","","","0.71073","MoKα","","0.0172","0.0157","","","0.0356","0.036","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","283574","2023-05-06","10:43:49",""
"2022776","9.1548","0.0005","9.7791","0.0005","15.6336","0.0009","90","","90","","90","","1399.61","0.13","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.041","0.0357","","","0.0871","0.0896","","","","","","1.071","","","","has coordinates,has Fobs","284684","2023-06-29","15:26:29",""
"2022777","10.7065","0.0003","10.9434","0.0003","12.8256","0.0004","69.029","0.001","82.871","0.001","67.515","0.001","1296.37","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole ethanol monosolvate","","- C32 H30 N2 O3 -","- C32 H30 N2 O3 -","- C64 H60 N4 O6 -","2","1","WV3012","Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen","Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis","Acta Crystallographica Section C Structural Chemistry","2023","79","7","292","304","10.1107/S2053229623005545","","","0.71073","MoKα","","0.0697","0.0539","","","0.1507","0.1616","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","284684","2023-06-29","15:26:32",""
"2022834","7.6327","0.0005","9.5561","0.0006","11.2899","0.0007","90","","104.095","0.003","90","","798.68","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0628","0.0408","","","0.0904","0.1006","","","","","","1.029","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:03",""
"2022835","3.7712","0.0003","6.1229","0.0005","34.868","0.003","90","","93.099","0.003","90","","803.95","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0595","0.0434","","","0.0803","0.0851","","","","","","1.132","","","","has coordinates","285783","2023-08-16","01:48:11",""
"2022836","3.8029","0.0002","9.9199","0.0005","11.5709","0.0006","66.828","0.002","82.168","0.003","82.245","0.002","395.96","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-(Azidomethyl)benzoic acid","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","EQ3010","Decato, Daniel; Jahnke, Michael; Berryman, Orion","Conformational polymorphism of 3-(azidomethyl)benzoic acid","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623006824","","x-ray","0.71073","MoKα","","0.0455","0.0357","","","0.0898","0.096","","","","","","1.051","","","","has coordinates,has Fobs","285783","2023-08-16","01:48:43",""
"2022847","12.9774","0.0008","18.3039","0.0011","18.2877","0.0011","90","","90","","90","","4344","0.5","223.1","","223.1","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","{(<i>R</i>)-1-[1-(Dimethylamino)ethyl]napthyl-κ^2^<i>N</i>,<i>C</i>^2^}[(diphenylphosphanylmethyl)diphenylphosphine sulfide-κ^2^<i>P</i>,<i>S</i>]platinum(II) hexafluoridoantimonate dichloromethane monosolvate","","- C40 H40 Cl2 F6 N P2 Pt S Sb -","- C39 H38 F6 N P2 Pt S Sb -","- C156 H152 F24 N4 P8 Pt4 S4 Sb4 -","4","1","QF3061","Faller, Jack; Parr, Jonathan","Hemilability and structural considerations in complexes of platinum(II) comprising bis(diphenylphosphanyl)methane monoxide, monosulfide, and monoselenide","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623007325","","","0.71075","MoKα","","0.0779","0.0544","","","0.0974","0.105","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","285905","2023-08-30","01:48:27",""
"2312035","16.288","0.008","5.79","0.004","10.546","0.009","90","","104.77","0.03","90","","961.7","1.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-Tetrafluoro-3,6-diiodobenzene bis(pyridin-1-ium-4-ylsulfanide)","","- C16 H10 F4 I2 N2 S2 -","- C16 H10 F4 I2 N2 S2 -","- C32 H20 F8 I4 N4 S4 -","2","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0693","0.0319","","","0.0612","0.0694","","","","","","0.934","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312036","8.0815","0.0004","17.2161","0.0005","18.9254","0.0012","90","","90","","90","","2633.1","0.2","200","2","200","2","","","","","","","synthesis as described","5","F 2 d d","F -2d 2","43","","4,4'-[Methanediyldi(sulfanediyl)]dipyridinium dichloride","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C88 H96 Cl16 N16 S16 -","8","0.5","QZ3003","Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar","Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","112","117","10.1107/S205322962300205X","","x-ray","0.71073","MoKα","","0.0569","0.0408","","","0.0914","0.1007","","","","","","1.096","","","","has coordinates","283573","2023-05-06","10:43:35",""
"2312037","15.1427","0.001","8.9369","0.001","26.143","0.002","90","","98.304","0.002","90","","3500.8","0.5","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(η^5^-cyclopentadienyl)(fluorodimethylsilyl)hydrido(iododimethylsilyl)niobium","","- C14 H23 F I Nb Si2 -","- C14 H23 F I Nb Si2 -","- C112 H184 F8 I8 Nb8 Si16 -","8","1","OV3168","Rodriguez, Sara M.; Motta, Ysidro N.; Hill, Michael R.; Oelke, Laura M.; Carter, Carly C.; Cundari, Thomas R.; Yousufuddin, Muhammed","Crystal structure and DFT calculations of Cp<sub>2</sub>NbH(SiIMe<sub>2</sub>)(SiFMe<sub>2</sub>): an asymmetric bis(silyl) niobocene hydride complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","158","163","10.1107/S2053229623002395","","","0.71073","MoKα","","0.0334","0.0286","","","0.0677","0.0693","","","","","","1.024","","","","has coordinates,has Fobs","282396","2023-04-05","10:55:12",""
"2312038","8.0549","0.0005","9.8811","0.0006","13.7189","0.0008","106.451","0.001","103.271","0.001","91.482","0.001","1014.4","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[μ-6,11-Dimethyl-7,10-diazahexadeca-5,11-diene-2,4,13,15-tetraolato(4-)-1κ^4^<i>O</i>^2^,<i>O</i>^4^,<i>O</i>^13^,<i>O</i>^15^:2κ^4^<i>N</i>^7^,<i>N</i>^10^,<i>O</i>^4^,<i>O</i>^13^](pyridine-1κ<i>N</i>)dicopper(II)","","- C21 H25 Cu2 N3 O4 -","- C21 H25 Cu2 N3 O4 -","- C42 H50 Cu4 N6 O8 -","2","1","DG3038","Ranaweera, Samantha A.; Donnadieu, Bruno; Henry, William P.; White, Mark G.","Effects of electron-donating ability of binding sites on coordination number: the interactions of a cyclic Schiff base with copper ions.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","142","148","10.1107/S2053229623002280","","","0.71073","MoKα","","0.0233","0.0205","","","0.054","0.0554","","","","","","1.045","","","","has coordinates,has Fobs","282397","2023-04-05","10:55:51",""
"2312039","23.8353","0.0008","6.8067","0.0002","16.6103","0.0005","90","","109.104","0.003","90","","2546.43","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C116 H72 F16 N16 O16 -","4","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","x-ray","0.71073","MoKα","","0.0791","0.0532","","","0.1328","0.1467","","","","","","1.021","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312040","13.131","0.004","14.423","0.004","26.523","0.007","90","","90","","90","","5023","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","3-{2-[4-(Dimethylamino)phenyl]ethynyl}pyridine; 1-[2-(3,5-dinitrophenyl)ethynyl]-2,3,5,6-tetrafluorobenzene","","- C29 H18 F4 N4 O4 -","- C29 H18 F4 N4 O4 -","- C232 H144 F32 N32 O32 -","8","1","OV3169","Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.","π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","149","157","10.1107/S2053229623002231","","","0.71073","MoKα","","0.0836","0.056","","","0.1357","0.154","","","","","","1.027","","","","has coordinates,has Fobs","282398","2023-04-05","10:56:46",""
"2312043","6.1037","0.0004","9.3345","0.0007","10.4146","0.0007","83.039","0.001","77.139","0.009","85.055","0.001","573.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","1","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71075","MoKα","","0.0671","0.0527","","","0.1431","0.1516","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:34",""
"2312044","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26 H20 Cl2 N4 -","- C104 H80 Cl8 N16 -","4","1","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0703","0.0465","","","0.1076","0.1228","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312045","22.657","0.01","5.4399","0.0018","19.086","0.006","90","","99.967","0.007","90","","2316.9","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene)","","- C26 H20 Cl2 N4 -","- C26.0104 H20.008 Cl2.0008 N4.0016 -","- C104.042 H80.032 Cl8.0032 N16.0064 -","4","0.5","FA3399","Parkin, Sean; Glidewell, Christopher; Horton, Peter N.","(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","77","82","10.1107/S2053229623001262","","","0.71073","MoKα","","0.0827","0.055","","","0.1238","0.1405","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","282415","2023-04-05","15:35:35",""
"2312046","12.6112","0.0006","8.6352","0.0004","17.308","0.0008","90","","105.925","0.002","90","","1812.51","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis[(<i>E</i>)-styryl]quinoline","2,4-Bis[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H19 N -","- C25 H19 N -","- C100 H76 N4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0649","0.0499","","","0.1092","0.1175","","","","","","1.089","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312047","28.495","0.0007","9.5384","0.0003","16.052","0.0005","90","","118.581","0.001","90","","3831.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-[(<i>E</i>)-2,4-Dichlorostyryl]-4-[(<i>E</i>)-styryl]quinoline","2-[(<i>E</i>)-2-(2,4-Dichlorophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinoline","","- C25 H17 Cl2 N -","- C25 H17 Cl2 N -","- C200 H136 Cl16 N8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0388","0.0322","","","0.0744","0.0778","","","","","","1.087","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312048","12.287","0.002","15.528","0.003","12.844","0.003","90","","99.877","0.006","90","","2414.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-styryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-phenylethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H22 Br N O -","- C32 H22 Br N O -","- C128 H88 Br4 N4 O4 -","4","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0857","0.0638","","","0.1803","0.1961","","","","","","1.045","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:05",""
"2312049","9.9051","0.0012","11.3936","0.0016","11.8192","0.0016","77.727","0.005","76.116","0.005","86.448","0.005","1265.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-4-chlorostyryl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(4-chlorophenyl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C32 H21 Br Cl N O -","- C32 H21 Br Cl N O -","- C64 H42 Br2 Cl2 N2 O2 -","2","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0373","0.0281","","","0.0611","0.0651","","","","","","1.034","","","","has coordinates,has Fobs","282416","2023-04-05","15:37:06",""
"2312050","15.5785","0.0008","16.4215","0.0007","18.3126","0.0009","90","","90","","90","","4684.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C30 H20 Br N O S -","- C30 H20 Br N O S -","- C240 H160 Br8 N8 O8 S8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0526","0.0401","","","0.0935","0.1012","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","282416","2023-04-05","15:37:06",""
"2312077","7.1203","0.0008","7.2221","0.001","7.3808","0.0009","96.813","0.008","106.031","0.007","114.329","0.008","320.47","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,2-Ethanediammonium bis(nitrosocarbamoylcyanomethanide)","Ethane-1,2-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","- C8 H14 N8 O4 -","1","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0598","0.044","","","0.1244","0.1362","","","","","","1.043","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312078","14.5686","0.0007","7.1704","0.0004","13.9658","0.0006","90","","104.209","0.003","90","","1414.27","0.12","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","Piperazine-1,4-diium bis(nitrosocarbamoylcyanomethanide)","","- C10 H16 N8 O4 -","- C10 H16 N8 O4 -","- C40 H64 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0717","0.0501","","","0.1203","0.1327","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312079","16.4095","0.0005","6.7848","0.0003","14.8471","0.0005","90","","116.556","0.003","90","","1478.61","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Butane-1,4-diammonium bis(nitrosocarbamoylcyanomethanide)","Butane-1,4-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C10 H18 N8 O4 -","- C10 H18 N8 O4 -","- C40 H72 N32 O16 -","4","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0723","0.0586","","","0.155","0.1658","","","","","","1.056","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312080","4.6121","0.0002","16.8608","0.0007","10.7931","0.0007","90","","93.853","0.003","90","","837.41","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexane-1,6-diammonium bis(nitrosocarbamoylcyanomethanide)","Hexane-1,6-bis(aminium) bis(nitrosocarbamoylcyanomethanide)","","- C12 H22 N8 O4 -","- C12 H22 N8 O4 -","- C24 H44 N16 O8 -","2","0.5","JX3077","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","177","185","10.1107/S2053229623002747","","","0.71073","MoKα","","0.0743","0.049","","","0.1092","0.1211","","","","","","1.042","","","","has coordinates,has Fobs","284367","2023-06-06","05:30:21",""
"2312081","15.5952","0.0011","15.7968","0.0011","25.7779","0.0015","74.729","0.002","85.878","0.002","89.857","0.002","6109.5","0.7","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2λ^4^,4λ^4^,6λ^4^,8λ^4^-Tetrabora-1,3,5,7(1,3)-tetrapyridinacyclooctaphane-1^1^,3^1^,5^1^,7^1^-tetrakis(ylium)","2,2,8,8,14,14,20,20-Octakis[4-(dibutylamino)phenyl]-1,7,13,19-tetraaza-2,8,14,20-tetraborapentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-1,7,13,19-tetrakis(ylium)","","- C132 H192 B4 N12 -","- C132 H192 B4 N12 -","- C264 H384 B8 N24 -","2","1","EP3030","Lovstedt, Alex; Dempsey, Stephen H.; Kass, Steven R.","Structure determination of a bis[4-(di-n-butylamino)phenyl](pyridin-3-yl)borane tetramer highlighting a unique geometric conformation of the core 16-membered ring.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","170","176","10.1107/S2053229623002619","","","0.71073","MoKα","","0.0725","0.0509","","","0.1245","0.1404","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","284368","2023-06-06","05:30:37",""
"2312093","11.0585","0.0008","12.0918","0.0008","19.5318","0.0014","73.751","0.002","74.975","0.002","74.263","0.002","2365.4","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H41 Cu F6 N P3 -","- C55 H41 Cu F6 N P3 -","- C110 H82 Cu2 F12 N2 P6 -","2","1","ZO3034","Zhang, Dan Qi; Song, Li; Wu, Jin Tao; Zhu, Yu Fan; Xu, Wen Ze; Lai, Jia Qi; Chai, Wen Xiang","Structural, spectroscopic, luminescence sensing and TD-DFT theoretical studies of a CuP<sub>2</sub>N-type complex.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","186","192","10.1107/S2053229623003340","","","0.71073","MoKα","","0.0536","0.0416","","","0.1019","0.1099","","","","","","1.024","","","","has coordinates,has Fobs","284370","2023-06-06","05:30:55",""
"2312094","6.927","0.005","8.613","0.007","14.335","0.011","83.295","0.013","81.574","0.013","80.251","0.013","830.1","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-5-chloropyridinium diphenylphosphinate","","- C17 H16 Cl N2 O2 P -","- C17 H16 Cl N2 O2 P -","- C34 H32 Cl2 N4 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.068","0.0512","","","0.1289","0.1414","","","","","","1.072","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312095","6.267","0.004","9.551","0.006","14.615","0.01","88.185","0.011","84.742","0.01","75.841","0.01","844.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-cyanopyridinium diphenylphosphinate","","- C18 H16 N3 O2 P -","- C18 H16 N3 O2 P -","- C36 H32 N6 O4 P2 -","2","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.055","0.0413","","","0.1109","0.1211","","","","","","1.106","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312096","27.998","0.012","10.747","0.005","11.362","0.005","90","","97.344","0.008","90","","3391","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-5-methylpyridinium diphenylphosphinate","","- C18 H19 N2 O2 P -","- C18 H19 N2 O2 P -","- C144 H152 N16 O16 P8 -","8","1","DG3040","Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin","Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","193","203","10.1107/S2053229623003388","","","0.71073","MoKα","","0.0744","0.0506","","","0.1317","0.1496","","","","","","1.027","","","","has coordinates,has Fobs","284369","2023-06-06","05:30:46",""
"2312097","9.652","0.0008","9.7408","0.001","14.1445","0.0012","98.183","0.004","104.638","0.003","90.059","0.004","1272.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N6 O -","- C26 H21 Cl N6 O -","- C52 H42 Cl2 N12 O2 -","2","1","","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","227","236","10.1107/S2053229623003728","","","0.71073","MoKα","","0.1674","0.1465","","","0.4457","0.4731","","","","","","2.142","","","","has coordinates,has Fobs","285047","2023-07-06","18:16:45",""
"2312098","19.5522","0.0013","5.8693","0.0004","31.3714","0.0019","90","","91.438","0.004","90","","3599","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>E</i>)-3-(4-Methylphenyl)-1-(3-{[(4-methylphenyl)methylidene]amino}phenyl)prop-2-en-1-one","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0594","0.0393","","","0.0902","0.1014","","","","","","1.016","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312099","25.1922","0.0005","5.7621","0.0001","20.7012","0.0004","90","","109.066","0.001","90","","2840.14","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{3-[(2<i>E</i>)-3-(4-Methylphenyl)prop-2-enoyl]phenyl}acetamide","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","OV3165","Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.","Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","217","226","10.1107/S2053229623003704","","x-ray","1.54178","CuKα","","0.0364","0.0342","","","0.0894","0.0913","","","","","","1.051","","","","has coordinates,has Fobs","285048","2023-07-06","18:17:11",""
"2312100","12.702","0.007","19.372","0.01","20.34","0.007","71.313","0.007","81.809","0.013","78.917","0.019","4635","4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","Hexachloridotetrakis{10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-\ silatriptycene}nickeldiplatinum–dichloromethane–ethanol (1/5/20), [NiPt~2Cl~6(TRIPPy)~4]","<i>catena</i>-Poly[[[dichloridonickel(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}-bis[dichloridoplatinum(II)]-bis{μ-10-[4-(pyridin-4-yl)phenyl]-9-phospha-10-silatriptycene}] dichloromethane pentasolvate ethanol icosasolvate]","","- C161 H210 Cl16 N4 Ni O20 P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","- C116 H80 Cl6 N4 Ni P4 Pt2 Si4 -","1","0.5","EF3041","Gildenast, Hans; Gruszien, Lukas; Englert, Ulli","The heterometallic one-dimensional solvated coordination polymer [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 4","118","124","10.1107/S2053229623001845","","","0.5","synchrotron","","0.0481","0.0359","","","0.1021","0.1077","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283564","2023-05-06","09:54:35",""
"2312111","9.0637","0.0005","9.0637","0.0005","13.2319","0.001","90","","90","","120","","941.38","0.1","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Nd0.51 Ni4.83 Tb1.51 Zn12.17 -","- Nd0.4956 Ni4.8265 Tb1.5044 Zn12.1735 -","- Nd1.4868 Ni14.4795 Tb4.5132 Zn36.5205 -","3","0.0833333","YP3229","Nytka, Vitalii; Kordan, Vasyl; Stetskiv, Andrij; Pavlyuk, Volodymyr","Tb<sub>2-x</sub>Nd<sub>x</sub>Zn<sub>17-y</sub>Ni<sub>y</sub> (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","257","262","10.1107/S2053229623004369","","","0.71073","MoKα","","0.0861","0.046","","","0.0866","0.096","","","","","","0.9","","","","has coordinates,has Fobs","285045","2023-07-06","18:16:17",""
"2312112","7.5224","0.0018","8.4415","0.0018","10.82","0.003","91.437","0.009","104.157","0.01","112.754","0.008","608.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>-[(4-Fluorophenyl)sulfanyl]phthalimide","2-[(4-Fluorophenyl)sulfanyl]isoindole-1,3-dione","","- C14 H8 F N O2 S -","- C14 H8 F N O2 S -","- C28 H16 F2 N2 O4 S2 -","2","1","ZO3030","Çakmak, Şukriye; Aycan, Tuğba; Yakan, Hasan; Veyisoğlu, Aysel; Tanak, Hasan; Evecen, Meryem","Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","249","256","10.1107/S2053229623003418","","","0.71073","MoKα","","0.0388","0.0334","","","0.0797","0.085","","","","","","1.056","","","","has coordinates,has Fobs","285046","2023-07-06","18:16:29",""
"2312125","11.3193","0.0009","11.3193","0.0009","15.4254","0.0016","90","","90","","120","","1711.6","0.3","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] trichloride tetrahydrate","","- C6 H32 Cl3 Co N6 O4 -","- C6 H32 Cl3 Co N6 O4 -","- C24 H128 Cl12 Co4 N24 O16 -","4","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0371","0.0346","","","0.0982","0.1005","","","","","","1.139","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:20",""
"2312126","11.354","0.007","11.354","0.007","15.683","0.013","90","","90","","120","","1751","2","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0249","0.0215","","","0.0456","0.0469","","","","","","1.131","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312127","11.4444","0.0003","11.4444","0.0003","15.649","0.0006","90","","90","","120","","1775.02","0.09","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquapotassium(I) heptachloride","","- C12 H60 Cl7 Co2 K N12 O6 -","- C12 H60 Cl7 Co2 K N12 O6 -","- C24 H120 Cl14 Co4 K2 N24 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.025","0.0245","","","0.0646","0.0649","","","","","","1.193","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312128","11.4131","0.0014","11.4131","0.0014","15.578","0.003","90","","90","","120","","1757.3","0.5","120","2","120","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","Ammonium bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] heptachloride hexahydrate","","- C12 H64 Cl7 Co2 N13 O6 -","- C12 H64 Cl7 Co2 N13 O6 -","- C24 H128 Cl14 Co4 N26 O12 -","2","0.166667","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0445","0.033","","","0.0644","0.0685","","","","","","1.039","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312129","11.32","0.003","11.32","0.003","8.049","0.002","90","","90","","120","","893.2","0.4","120","2","120","2","","","","","","","","7","P 3","P 3","143","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","1","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0237","0.0212","","","0.0371","0.0378","","","","","","0.995","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"2312130","9.1032","0.0002","10.9034","0.0001","15.3748","0.0002","90","","107.202","0.002","90","","1457.78","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{Amino[6-(pyrrolidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C13 H20 N6 S -","- C13 H20 N6 S -","- C52 H80 N24 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0393","0.0373","","","0.1045","0.1059","","","","","","1.101","","","","has coordinates,has Fobs","284681","2023-06-29","15:22:42",""
"2312131","9.3148","0.0002","9.386","0.0001","36.2261","0.0005","90","","94.812","0.001","90","","3156.04","0.09","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{Amino[6-(piperidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide","","- C14 H22 N6 S -","- C14 H22 N6 S -","- C112 H176 N48 S8 -","8","2","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0528","0.0489","","","0.143","0.1465","","","","","","1.051","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:00",""
"2312132","7.96887","0.00014","10.94707","0.00018","18.4759","0.0003","90","","96.242","0.0016","90","","1602.2","0.05","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","2-[Amino(6-phenoxypyridin-2-yl)methylidene]-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide monohydrate","","- C15 H19 N5 O2 S -","- C15 H19 N5 O2 S -","- C60 H76 N20 O8 S4 -","4","1","VP3029","Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata","Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","283","291","10.1107/S2053229623005521","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0574","0.0575","","","","","","1.048","","","","has coordinates,has Fobs","284681","2023-06-29","15:23:12",""
"2312133","7.769","0.004","22.149","0.012","13.656","0.008","90","","99.399","0.009","90","","2318","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[0.75(aqua)[μ~3~-4,4'-(1<i>H</i>,1'<i>H</i>-[2,2'-biimidazole]-1,1'-diyl)dibenzoato-κ^5^<i>O</i>,<i>O</i>';<i>N</i>;<i>O</i>'',<i>O</i>''']]lead(II)] 1.25-hydrate]","","- C20 H16 N4 O6 Pb -","- C20 H12 N4 O6 Pb -","- C80 H48 N16 O24 Pb4 -","4","1","LF3130","Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi","Construction of a Pb<sup>II</sup> coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","263","268","10.1107/S2053229623004783","","","0.71073","MoKα","","0.0734","0.0419","","","0.0998","0.1131","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","284682","2023-06-29","15:24:22",""
"2312134","4.82","0.001","19.11","0.004","19.28","0.004","90","","90","","90","","1775.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","OP3019","Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna","Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","277","282","10.1107/S2053229623004849","","","0.97625","synchrotron","","0.0661","0.0598","","","0.1664","0.174","","","","","","1.1","","","","has coordinates,has Fobs","284683","2023-06-29","15:25:20",""
"2312135","14.1807","0.0006","7.4675","0.0003","20.0702","0.0008","90","","90","","90","","2125.32","0.15","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3-(Dihydroxyboryl)anilinium bisulfate monohydrate","3-(Dihydroxyboryl)anilinium hydrogen sulfate monohydrate","","- C6 H12 B N O7 S -","- C6 H12 B N O7 S -","- C48 H96 B8 N8 O56 S8 -","8","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0536","0.0512","","","0.1343","0.1379","","","","","","1.081","","","","has coordinates","284685","2023-06-29","15:27:41",""
"2312136","10.97561","0.00018","7.22452","0.00011","13.5494","0.0002","90","","103.343","0.0015","90","","1045.38","0.03","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(Dihydroxyboryl)anilinium methyl sulfate","","- C7 H12 B N O6 S -","- C7 H12 B N O6 S -","- C28 H48 B4 N4 O24 S4 -","4","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0306","0.03","","","0.0783","0.0789","","","","","","1.114","","","","has coordinates,has Fobs","284685","2023-06-29","15:27:44",""
"2312147","15.3082","0.0009","5.202","0.0003","18.6832","0.0011","90","","112.809","0.002","90","","1371.46","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrazine-2-carboxamide; 2-(carboxymethyl)benzoic acid","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C56 H52 N12 O20 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0679","0.0606","","","0.2124","0.2249","","","","","","1.198","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312148","5.1567","0.0003","21.1373","0.001","17.8054","0.0009","90","","92.826","0.002","90","","1938.41","0.18","285","2","285","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine–5-chlorosalicylic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 5-chloro-2-hydroxybenzoic acid","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C88 H68 Cl4 N8 O16 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0526","0.0438","","","0.112","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","285043","2023-07-06","17:47:46",""
"2312149","15.344","0.0006","5.4552","0.0003","23.7301","0.0009","90","","96.148","0.002","90","","1974.89","0.15","285","2","285","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Carbamazepine–<i>trans</i>-cinnamic acid (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 3-phenylprop-2-enoic acid","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0716","0.0429","","","0.0984","0.1129","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312150","5.1236","0.0001","17.7396","0.0005","19.7236","0.0006","90","","91.09","0.002","90","","1792.37","0.08","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Carbamazepine–nicotinamide (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; pyridine-3-carboxamide","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","EF3042","Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 6","237","248","10.1107/S2053229623003753","","","1.54178","CuKα","","0.0575","0.0404","","","0.0979","0.107","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","285043","2023-07-06","17:47:47",""
"2312156","11.3873","0.0005","9.0517","0.0004","14.4136","0.0007","90","","113.225","0.001","90","","1365.28","0.11","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Diaquabis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^8^)zirconium(IV) dimethylformamide disolvate","","- C26 H28 N4 O10 Zr -","- C26 H28 N4 O10 Zr -","- C52 H56 N8 O20 Zr2 -","2","0.5","DG3041","Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan","Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005971","","","0.71073","MoKα","","0.0257","0.022","","","0.0533","0.0554","","","","","","1.048","","","","has coordinates,has Fobs","285294","2023-07-20","02:04:35",""
"2312157","7.774","0.0004","7.9955","0.0004","12.4836","0.0006","106.383","0.004","98.191","0.004","93.279","0.004","732.96","0.07","250","2","250","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-{[(4-Methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","ZO3036","Yahiaoui, Ahmed Abderrahim; Ghichi, Nadir; Hannachi, Douniazed; Mezhoud, Bilel; Djedouani, Amel; Kraim, Khairedine; Crochet, Aurélien; Stoeckli-Evans, Helen","The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","8","","","10.1107/S2053229623005867","","x-ray","0.71073","MoKα","","0.0422","0.038","","","0.108","0.1125","","","","","","1.041","","","","has coordinates,has Fobs","285383","2023-07-29","01:54:39",""
"2312275","7.60853","0.00011","6.48071","0.00009","6.24923","0.0001","90","","90","","90","","308.141","0.008","296","","296","","","","","","","","","4","P m n 21","P 2ac -2","31","Copper cadmium silicon sulfide","Copper cadmium silicon sulfide","","- Cd Cu2 S4 Si -","- Cd Cu2 S4 Si -","- Cd2 Cu4 S8 Si2 -","2","0.5","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0221","0.0221","","","0.047","0.047","","","","","","1.269","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:27",""
"2312276","5.5798","0.0012","5.5798","0.0012","10.86","0.003","90","","90","","90","","338.12","0.14","296","","296","","","","","","","","","4","I -4 2 m","I -4 2","121","Copper mercury tin sulfide","Copper mercury tin sulfide","","- Cu2 Hg S4 Sn -","- Cu2 Hg S4 Sn -","- Cu4 Hg2 S8 Sn2 -","2","0.125","VX3001","Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.","Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623006848","","","0.71073","MoKα","","0.0141","0.0141","","","0.0317","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","285784","2023-08-16","01:49:31",""
"2312277","7.4355","0.0013","34.195","0.006","7.7242","0.0014","90","","112.512","0.004","90","","1814.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0725","0.054","","","0.1314","0.1419","","","","","","1.034","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:05",""
"2312278","11.0834","0.0006","13.8364","0.0008","12.0014","0.0007","90","","115.71","0.003","90","","1658.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,4-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.1343","0.0606","","","0.1729","0.2193","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312279","7.6312","0.0003","33.5293","0.0012","7.3493","0.0003","90","","114.298","0.001","90","","1713.88","0.12","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>'-(Propan-2-ylidene)pyridine-4-carbohydrazide; 1-naphthoic acid","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0479","0.0429","","","0.1173","0.1218","","","","","","1.076","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312280","7.2682","0.0003","34.0775","0.0015","7.6124","0.0003","90","","111.081","0.002","90","","1759.27","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2-chloro-4-nitrobenzoic acid","","- C17 H17 Cl N4 O5 -","- C17 H17 Cl N4 O5 -","- C68 H68 Cl4 N16 O20 -","4","1","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0527","0.0473","","","0.1241","0.1289","","","","","","1.066","","","","has coordinates,has Fobs","285853","2023-08-24","01:36:06",""
"2312281","9.2054","0.0003","11.5589","0.0004","15.6268","0.0006","92.383","0.002","93.092","0.002","90.666","0.002","1658.74","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2,5-dihydroxybenzoic acid","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","2","DV3024","Scheepers, Matthew Clarke; Lemmerer, Andreas","The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007179","","x-ray","0.71073","MoKα","","0.0872","0.0675","","","0.171","0.1909","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","285853","2023-08-24","01:36:06",""
"2312282","5.6832","0.0001","7.4639","0.0002","11.7473","0.0003","91.524","0.002","95.245","0.002","106.024","0.002","476.24","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","2,2'-Dithiobispyrazine","2-(Pyrazin-2-yldisulfanyl)pyrazine","","- C8 H6 N4 S2 -","- C8 H6 N4 S2 -","- C16 H12 N8 S4 -","2","1","DG3042","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Husik, Natallia; Rybarczyk-Pirek, Agnieszka J","2,2'-Dithiobispyrazine: about the disulfide bond.","Acta crystallographica. Section C, Structural chemistry","2023","79","9","","","10.1107/S2053229623007416","","x-ray","0.71073","MoKα","","0.0447","0.0324","","","0.0819","0.0867","","","","","","1.08","","","","has coordinates,has Fobs","285904","2023-08-30","01:47:48",""
"2312301","11.7637","0.0006","11.746","0.0005","10.3316","0.0005","90","","111.384","0.006","90","","1329.31","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dopamine benzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium benzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0766","0.0601","","","0.1534","0.1705","","","","","","1.023","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:46",""
"2312302","7.4993","0.0002","18.5051","0.0005","10.761","0.0003","90","","99.628","0.003","90","","1472.33","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dopamine 4-nitrobenzoate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-nitrobenzoate","","- C15 H16 N2 O6 -","- C15 H16 N2 O6 -","- C60 H64 N8 O24 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","0.71073","MoKα","","0.0734","0.0476","","","0.0986","0.112","","","","","","1.034","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:50",""
"2312303","10.6328","0.0005","8.5651","0.0005","23.8669","0.0013","90","","90","","90","","2173.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dopamine ethanedisulfonate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium ethane-1,2-disulfonate","","- C18 H28 N2 O10 S2 -","- C18 H28 N2 O10 S2 -","- C72 H112 N8 O40 S8 -","4","0.5","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0479","0.0409","","","0.1234","0.1342","","","","","","1.138","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:56",""
"2312304","17.4085","0.0008","11.9234","0.0005","7.6779","0.0003","90","","95.273","0.004","90","","1586.95","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dopamine 4-hydroxybenzenesulfonate monohydrate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-hydroxybenzenesulfonate monohydrate","","- C14 H19 N O7 S -","- C14 H19 N O7 S -","- C56 H76 N4 O28 S4 -","4","1","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0718","0.0571","","","0.1507","0.1688","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","286395","2023-09-19","01:36:58",""
"2312305","7.6518","0.0004","8.2376","0.0004","9.6402","0.0004","102.414","0.004","93.1","0.004","115.838","0.005","526.51","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[diaqua(μ~3~-butane-1,4-dicarboxylato)hemi(μ-butane-1,4-dicarboxylato)bismuth] monohydrate]","","- C6 H12 Bi O9 -","- C6 H12 Bi O9 -","- C12 H24 Bi2 O18 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0341","0.0291","","","0.0586","0.0614","","","","","","1.01","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:20",""
"2312306","7.8258","0.0004","9.6629","0.0004","10.1924","0.0005","81.457","0.004","75.553","0.004","77.881","0.004","725.97","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Bismuth succinate hydrate","Poly[[μ-aqua-aqua(μ~3~-butane-1,4-dicarboxylato)(μ-butane-1,4-dicarboxylato)-μ-oxido-dibismuth] monohydrate]","","- C8 H14 Bi2 O12 -","- C8 H14 Bi2 O12 -","- C16 H28 Bi4 O24 -","2","1","FP3093","Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.","Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623008124","","","0.71073","MoKα","","0.0311","0.0256","","","0.0576","0.0606","","","","","","1.046","","","","has coordinates,has Fobs","286465","2023-09-22","01:53:21",""
"2312307","28.778","0.008","16.511","0.005","34.938","0.012","90","","108.189","0.011","90","","15771","9","105","","105","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Trimesic acid–4-chlorophenyl diphenyl phosphate (5/2)","Benzene-1,3,5-tricarboxylic acid–4-chlorophenyl diphenyl phosphate (5/2)","","- C81 H58 Cl2 O38 P2 -","- C81 H58 Cl2 O38 P2 -","- C648 H464 Cl16 O304 P16 -","8","1","EF3047","Som, Shubham; Hasija, Avantika; Chopra, Deepak","From liquid to crystal via mechanochemical grinding: unique host-guest (HOF) cocrystal.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007519","","","0.71073","MoKα","","0.2127","0.1155","","","0.2568","0.3171","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","286466","2023-09-22","01:54:06",""
"2312308","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OOH","Di-μ-peroxido-bis[tricarbonyl(pyridine)technetium] <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C16 H12 N2 O10 Tc2 -","- C16 H12 N2 O10 Tc2 -","- C64 H48 N8 O40 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0538","0.0455","","","0.1155","0.1221","","","","","","1.05","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312309","18.116","0.016","10.359","0.008","12.148","0.01","90","","90","","90","","2280","3","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","ZUPI-OME","di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], <i>syn</i>-[Tc~2~(CH~3~O)~2~(NC~5~H~5~)~2~(CO)~6~]","","- C18 H16 N2 O8 Tc2 -","- C18 H16 N2 O8 Tc2 -","- C72 H64 N8 O32 Tc8 -","4","1","ZO3037","Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.","X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007957","","","0.71073","MoKα","","0.0502","0.0419","","","0.1067","0.1128","","","","","","1.051","","","","has coordinates,has Fobs","286467","2023-09-22","01:54:42",""
"2312310","8.3769","0.0004","8.7294","0.0004","9.7804","0.0005","74.8391","0.0017","79.5481","0.0018","78.3934","0.0016","669.88","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 6-chloronicotinate dihydrate","","- C10 H15 Cl N6 O4 -","- C10 H15 Cl N6 O4 -","- C20 H30 Cl2 N12 O8 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0363","0.0294","","","0.0741","0.0784","","","","","","1.081","","","","has coordinates,has Fobs","286517","2023-09-26","01:44:56",""
"2312311","8.2567","0.001","12.7736","0.0014","13.2612","0.0017","90","","102.433","0.005","90","","1365.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-Triaminopyrimidinediium pyridine-2,6-dicarboxylate dihydrate","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C44 H64 N24 O24 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.0459","0.0343","","","0.0836","0.0912","","","","","","1.036","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312312","9.0198","0.0005","10.1953","0.0005","9.8987","0.0005","90","","103.305","0.002","90","","885.85","0.08","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-Triaminopyrimidinediium sulfate monohydrate","","- C4 H11 N5 O5 S -","- C4 H11 N5 O5 S -","- C16 H44 N20 O20 S4 -","4","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","0.71073","MoKα","","0.083","0.0461","","","0.1001","0.1132","","","","","","1.041","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:04",""
"2312313","6.977","0.0002","10.5805","0.0003","11.217","0.0002","83.491","0.002","87.651","0.002","80.623","0.002","811.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Triaminopyrimidinium 3,5-dinitrobenzoate dihydrate","","- C11 H15 N7 O8 -","- C11 H15 N7 O8 -","- C22 H30 N14 O16 -","2","1","DG3044","Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S205322962300829X","","","1.54184","CuKα","","0.0454","0.0397","","","0.1156","0.1213","","","","","","1.089","","","","has coordinates,has Fobs","286517","2023-09-26","01:45:05",""
"2312314","8.5339","0.0003","11.8471","0.0004","13.2628","0.0005","87.563","0.002","71.508","0.001","85.627","0.001","1267.72","0.08","200","","200","","","","","","","","","3","P -1","-P 1","2","2-{10-[4-(Diphenylamino)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Diphenylamino)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H22 N4 -","- C34 H22 N4 -","- C68 H44 N8 -","2","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","1.34139","GaKα","","0.0772","0.0524","","","0.145","0.1572","","","","","","1.142","","","","has coordinates,has Fobs","286518","2023-09-26","01:45:59",""
"2312315","11.7306","0.001","7.1509","0.0006","29.769","0.002","90","","96.28","0.002","90","","2482.2","0.3","296","1","296","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-{10-[4-(9<i>H</i>-Carbazol-9-yl)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile","2-{10-[4-(Carbazol-9-yl)phenyl]acridin-9-ylidene}propanedinitrile","","- C34 H20 N4 -","- C34 H20 N4 -","- C136 H80 N16 -","4","1","UX3002","Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying","Synthesis, structures and properties of two donor-acceptor acridone-based compounds.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007994","","","0.71073","MoKα","","0.0784","0.048","","","0.123","0.1391","","","","","","1.024","","","","has coordinates,has Fobs","286518","2023-09-26","01:46:00",""
"2312316","9.6864","0.0019","10.484","0.002","10.658","0.002","66.22","0.03","89.67","0.03","82.73","0.03","981.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-anthracene-κ^2^<i>C</i>^9^:<i>C</i>^10^)dicopper bis[bis(tetrahydrofuran-κ<i>O</i>)potassium]","","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","- C44 H52 Cu2 K2 O4 -","1","0.5","EQ3012","Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.","Crystal structure and synthesis of the bis(anthracene)dicuprate dianion as the dipotassium salt, [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-η<sup>2</sup>-anthracene)}<sub>2</sub>], the first anionic arene complex of copper.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","456","463","10.1107/S2053229623008367","","","0.71073","MoKα","","0.0356","0.0287","","","0.0687","0.0726","","","","","","1.039","","","","has coordinates,has Fobs","288126","2023-12-07","11:46:48",""
"2312321","7.2418","0.0004","28.0107","0.0009","7.3569","0.0004","90","","116.29","0.007","90","","1337.97","0.14","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H12 F3 N3 O S -","- C52 H48 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0792","0.0706","","","0.18","0.1855","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:00",""
"2312322","6.1727","0.0002","27.9473","0.0011","7.6297","0.0003","90","","90.123","0.004","90","","1316.2","0.08","130","2","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-[(Dimethylamino)methylidene]-4-{[4-(trifluoromethyl)phenyl]amino}-1,3-thiazol-2(5<i>H</i>)-one","","- C13 H12 F3 N3 O S -","- C13 H11.112 F3 N3 O S -","- C52 H44.448 F12 N12 O4 S4 -","4","1","OJ3012","Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz","Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009087","","","1.54184","CuKα","","0.0548","0.0528","","","0.14","0.1414","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","287105","2023-10-25","02:09:01",""
"2312323","7.8073","0.0009","9.8003","0.0011","10.79","0.0009","72.964","0.009","85.084","0.008","74.448","0.01","760.44","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(4-Bromophenyl)-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-3-methyl-1<i>H</i>-pyrazole","","- C16 H16 Br N3 -","- C16 H16 Br N3 -","- C32 H32 Br2 N6 -","2","1","VX3003","Moreno-Suárez, Erika; Avila-Acosta, Rafael; Sánchez-Ramírez, Karen; Castillo, Juan Carlos; Macías, Mario A","Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.","Acta crystallographica. Section C, Structural chemistry","2023","79","11","","","10.1107/S2053229623009221","","","1.54184","CuKα","","0.0428","0.0382","","","0.0981","0.1048","","","","","","1.032","","","","has coordinates,has Fobs","287106","2023-10-25","02:09:47",""
"2312333","11.2435","0.0007","11.4038","0.0007","13.634","0.0007","74.278","0.005","75.995","0.005","84.642","0.005","1631.99","0.17","93","2","93.15","","","","","","","","","5","P -1","-P 1","2","","Dichloridobis[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>']ruthenium(II) dichloromethane disolvate","","- C32 H28 Cl6 N8 Ru -","- C32 H28 Cl6 N8 Ru -","- C64 H56 Cl12 N16 Ru2 -","2","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.1097","0.0606","","","0.0951","0.1079","","","","","","1.028","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312334","8.3209","0.0003","27.3213","0.001","15.7839","0.0006","90","","99.554","0.004","90","","3538.5","0.2","93","2","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>'][tris(pyridin-2-yl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridoantimonate chloroform monosolvate","","- C31 H25 Cl4 F6 N8 Ru Sb -","- C31 H25 Cl4 F6 N8 Ru Sb -","- C124 H100 Cl16 F24 N32 Ru4 Sb4 -","4","1","DG3046","Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon","Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 12","491","496","10.1107/S2053229623009415","","","0.71073","MoKα","","0.0829","0.0481","","","0.0739","0.0812","","","","","","1.081","","","","has coordinates,has Fobs","288934","2024-01-07","11:48:25",""
"2312363","15.0191","0.0003","8.304","0.0002","23.9862","0.0005","90","","95.8239","0.0019","90","","2976.08","0.11","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.2/0.8)","","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C10 H16 Cl2 Co0.2 N4 Zn0.8 -","- C80 H128 Cl16 Co1.6 N32 Zn6.4 -","8","1","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0402","0.0284","","","0.0694","0.0754","","","","","","1.036","","","","has coordinates,has Fobs","287917","2023-12-01","02:58:44",""
"2312364","8.2698","0.0002","8.406","0.0002","10.3062","0.0002","84.826","0.002","69.156","0.002","87.133","0.002","666.7","0.03","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^1^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^1^-bis[bromido/chlorido(0.7/0.3)bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^1^)cobalt/zinc(0.1/0.9)]","","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","- C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8 -","1","0.5","DG3048","Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek","An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2023","79","12","520","529","10.1107/S2053229623010021","","","0.71073","MoKα","","0.0343","0.0266","","","0.0709","0.0746","","","","","","1.047","","","","has coordinates,has Fobs","287917","2023-12-01","02:59:42",""
"2312670","4.6374","0.0002","11.0096","0.0006","13.0262","0.0007","93.42","0.004","94.065","0.004","90.317","0.004","662.18","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,6-Bis(pyridin-2-yl)-1,2,4,5-tetrazine–2,4,6-tribromophenol (1/2)","","- C24 H14 Br6 N6 O2 -","- C24 H14 Br6 N6 O2 -","- C24 H14 Br6 N6 O2 -","1","0.5","DG3037","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J","X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","52","60","10.1107/S2053229622012256","","x-ray","1.54184","CuKα","","0.0329","0.0295","","","0.0777","0.0803","","","","","","1.045","","","","has coordinates,has Fobs","295686","2024-10-31","02:58:10",""
"2312671","3.8067","0.0002","21.3885","0.0007","14.2669","0.0006","90","","107.835","0.005","90","","1105.78","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Bis(pyridin-2-yl)-1,2,4,5-tetrazine–4-carboxypyridine <i>N</i>-oxide (1/2)","","- C24 H18 N8 O6 -","- C24 H18 N8 O6 -","- C48 H36 N16 O12 -","2","0.5","DG3037","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J","X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","52","60","10.1107/S2053229622012256","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1072","0.111","","","","","","1.068","","","","has coordinates,has Fobs","295686","2024-10-31","02:58:11",""
"2312672","10.8081","0.0003","13.0756","0.0004","15.672","0.0003","100.946","0.002","107.154","0.002","110.429","0.002","1874.13","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,6-Bis(pyridin-2-yl)-1,2,4,5-tetrazine–4-nitrobenzenesulfonamide (1/1)","","- C18 H14 N8 O4 S -","- C18 H14 N8 O4 S -","- C72 H56 N32 O16 S4 -","4","2","DG3037","Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J","X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","52","60","10.1107/S2053229622012256","","x-ray","1.54184","CuKα","","0.063","0.0587","","","0.1476","0.1542","","","","","","1.065","","","","has coordinates,has Fobs","295686","2024-10-31","02:58:12",""
"2312673","7.7776","0.0002","22.5823","0.0006","18.2338","0.0005","90","","99.329","0.002","90","","3160.16","0.15","170","2","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-Bis(methylsulfanyl)-1,1'-(1,3-phenylene)bis(1<i>H</i>-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate)","","- C26 H24 F6 N4 O6 S4 -","- C26 H24 F6 N4 O6 S4 -","- C104 H96 F24 N16 O24 S16 -","4","1","QW3003","Steinke, Tim; Engelage, Elric; Huber, Stefan M.","Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","26","35","10.1107/S2053229622011536","","x-ray","1.54184","CuKα","","0.0834","0.073","","","0.1981","0.2053","","","","","","1.094","","","","has coordinates","295687","2024-10-31","02:59:01",""
"2312674","9.3672","0.0001","13.3265","0.0002","13.6445","0.0001","102.515","0.001","93.231","0.001","96.198","0.001","1647.49","0.03","170","2","170","0.1","","","","","","","","8","P -1","-P 1","2","","3,3'-Bis(methylselanyl)-1,1'-(1,3-phenylene)bis(1<i>H</i>-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate) 1,2-dichloroethane hemisolvate","","- C27 H26 Cl F6 N4 O6 S2 Se2 -","- C27 H26 Cl F6 N4 O6 S2 Se2 -","- C54 H52 Cl2 F12 N8 O12 S4 Se4 -","2","1","QW3003","Steinke, Tim; Engelage, Elric; Huber, Stefan M.","Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","26","35","10.1107/S2053229622011536","","x-ray","1.54184","CuKα","","0.0513","0.048","","","0.1244","0.1272","","","","","","1.052","","","","has coordinates,has disorder","295687","2024-10-31","02:59:01",""
"2312675","13.8634","0.0004","7.7558","0.0002","29.3266","0.0007","90","","94.246","0.002","90","","3144.59","0.14","170","2","169.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,3'-Bis(methylselanyl)-1,1'-(1,3-phenylene)bis(1<i>H</i>-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate)","","- C26 H24 F6 N4 O6 S2 Se2 -","- C26 H24 F6 N4 O6 S2 Se2 -","- C104 H96 F24 N16 O24 S8 Se8 -","4","1","QW3003","Steinke, Tim; Engelage, Elric; Huber, Stefan M.","Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","26","35","10.1107/S2053229622011536","","x-ray","1.54184","CuKα","","0.0595","0.053","","","0.1366","0.1416","","","","","","1.059","","","","has coordinates","295687","2024-10-31","02:59:02",""
"2312676","7.74775","0.00004","13.12863","0.00008","31.27496","0.00018","90","","90.6141","0.0005","90","","3181.02","0.03","170","2","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,3'-Bis(methylselanyl)-1,1'-(1,3-phenylene)bis(1<i>H</i>-1,3-benzodiazol-3-ium) bis(trifluoromethanesulfonate)","","- C26 H24 F6 N4 O6 S2 Se2 -","- C26 H24 F6 N4 O6 S2 Se2 -","- C104 H96 F24 N16 O24 S8 Se8 -","4","1","QW3003","Steinke, Tim; Engelage, Elric; Huber, Stefan M.","Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","26","35","10.1107/S2053229622011536","","x-ray","1.54184","CuKα","","0.0299","0.0282","","","0.0692","0.0704","","","","","","1.02","","","","has coordinates,has disorder","295687","2024-10-31","02:59:02",""
"2312677","6.9303","0.0003","12.6026","0.0005","13.1299","0.0006","71.495","0.004","82.851","0.004","87.566","0.004","1079.01","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","1,4-Diiodotetrafluorobenzene–2-{[(naphthalen-2-yl)methyl]sulfanyl}pyridine 1-oxide (1/1)","","- C22 H13 F4 I2 N O S -","- C22 H13 F4 I2 N O S -","- C44 H26 F8 I4 N2 O2 S2 -","2","1","BS3005","Wang, Hui; Wu, Wen Xin; Jin, Wei Jun","Cocrystals assembled from iodoperfluorobenzene and flexible NTPO via halogen and π-hole bonds.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","36","42","10.1107/S2053229622011822","","x-ray","1.54184","CuKα","","0.035","0.0343","","","0.0936","0.0947","","","","","","1.086","","","","has coordinates,has Fobs","295688","2024-10-31","02:59:30",""
"2312678","7.0073","0.0001","15.6551","0.0003","20.8676","0.0004","90","","91.727","0.002","90","","2288.14","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trifluoro-2,4,6-triiodobenzene–2-{[(naphthalen-2-yl)methyl]sulfanyl}pyridine 1-oxide (1/1)","","- C22 H13 F3 I3 N O S -","- C22 H13 F3 I3 N O S -","- C88 H52 F12 I12 N4 O4 S4 -","4","1","BS3005","Wang, Hui; Wu, Wen Xin; Jin, Wei Jun","Cocrystals assembled from iodoperfluorobenzene and flexible NTPO via halogen and π-hole bonds.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","36","42","10.1107/S2053229622011822","","x-ray","1.54184","CuKα","","0.039","0.0375","","","0.0968","0.098","","","","","","1.101","","","","has coordinates,has Fobs","295688","2024-10-31","02:59:31",""
"2312679","15.4147","0.0017","5.7191","0.0007","27.232","0.003","90","","103.688","0.005","90","","2332.5","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Fluorocytosinium sulfanilate–5-fluorocytosine–4-azaniumylbenzene-1-sulfonate (1/1/1)","","- C20 H22 F2 N8 O8 S2 -","- C20 H22 F2 N8 O8 S2 -","- C80 H88 F8 N32 O32 S8 -","4","1","CU3183","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in salts/cocrystals involving pyrimidine derivatives of sulfonate/carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","61","67","10.1107/S2053229623000177","","","0.71073","MoKα","","0.0655","0.0523","","","0.1278","0.1392","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","295689","2024-10-31","03:00:04",""
"2312680","9.0919","0.0005","5.2273","0.0003","30.5813","0.0018","90","","92.042","0.002","90","","1452.49","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Fluorocytosine–indole-3-propionic acid (1/1)","5-Fluorocytosine–indole-3-propionic acid (1/1)","","- C15 H15 F N4 O3 -","- C15 H15 F N4 O3 -","- C60 H60 F4 N16 O12 -","4","1","CU3183","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in salts/cocrystals involving pyrimidine derivatives of sulfonate/carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","61","67","10.1107/S2053229623000177","","","0.71073","MoKα","","0.0453","0.0392","","","0.091","0.0945","","","","","","1.073","","","","has coordinates,has Fobs","295689","2024-10-31","03:00:05",""
"2312681","21.581","0.003","10.3368","0.0016","13.853","0.002","90","","113.155","0.005","90","","2841.4","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-Triaminopyrimidinium 3-nitrobenzoate","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C88 H96 N48 O32 -","8","1","CU3183","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.; Butcher, Ray J.","Supramolecular interactions in salts/cocrystals involving pyrimidine derivatives of sulfonate/carboxylic acid.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","61","67","10.1107/S2053229623000177","","","0.71073","MoKα","","0.092","0.0545","","","0.1283","0.1443","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","295689","2024-10-31","03:00:05",""
"2312682","6.1087","0.0001","14.2241","0.0002","12.063","0.0002","90","","103.594","0.001","90","","1018.8","0.03","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Pyridin-3-yl)-2,3-dihydro-1,2-benzoselenazol-3-one","","- C12 H8 N2 O Se -","- C12 H8 N2 O Se -","- C48 H32 N8 O4 Se4 -","4","1","QZ3002","Xu, Ruyi; Fellowes, Thomas; White, Jonathan M.","High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","43","51","10.1107/S2053229623000062","","x-ray","0.71073","MoKα","","0.0594","0.0308","","","0.0645","0.0724","","","","","","1.001","","","","has coordinates","295690","2024-10-31","03:00:47",""
"2312683","7.0926","0.0001","8.1329","0.0001","11.8376","0.0001","84.618","0.001","82.243","0.001","77.756","0.001","659.695","0.014","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","1-Methyl-3-(3-oxo-2,3-dihydro-1,2-benzoselenazol-2-yl)pyridin-1-ium iodide","","- C13 H11 I N2 O Se -","- C13 H11 I N2 O Se -","- C26 H22 I2 N4 O2 Se2 -","2","1","QZ3002","Xu, Ruyi; Fellowes, Thomas; White, Jonathan M.","High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","43","51","10.1107/S2053229623000062","","x-ray","0.71073","MoKα","","0.0351","0.0251","","","0.0555","0.058","","","","","","1.026","","","","has coordinates","295690","2024-10-31","03:00:48",""
"2312684","6.9412","0.0003","12.1279","0.0004","13.5994","0.0003","70.426","0.003","83.774","0.003","83.585","0.003","1068.83","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","1-Methyl-3-(3-oxo-2,3-dihydro-1,2-benzoselenazol-2-yl)pyridin-1-ium toluenesulfonate trihydrate","","- C20 H24 N2 O7 S Se -","- C20 H24 N2 O7 S Se -","- C40 H48 N4 O14 S2 Se2 -","2","1","QZ3002","Xu, Ruyi; Fellowes, Thomas; White, Jonathan M.","High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","43","51","10.1107/S2053229623000062","","x-ray","1.54184","CuKα","","0.0508","0.0413","","","0.0994","0.1037","","","","","","1.058","","","","has coordinates","295690","2024-10-31","03:00:48",""
"2312685","6.1074","0.0001","14.2227","0.0003","12.0621","0.0002","90","","103.588","0.002","90","","1018.43","0.03","100.1","0.2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O Se -","- C12 H8 N2 O Se -","- C48 H32 N8 O4 Se4 -","4","1","QZ3002","Xu, Ruyi; Fellowes, Thomas; White, Jonathan M.","High-resolution structural study on pyridin-3-yl ebselen and its N-methylated tosylate and iodide derivatives.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 2","43","51","10.1107/S2053229623000062","","","0.71073","MoKα","","0.0223","0.0157","","","0.0226","0.0233","","","","","","1.065","","","","has coordinates","295690","2024-10-31","03:00:48",""
"2312686","7.2333","0.0007","6.0254","0.0005","7.4294","0.0007","90","","117.249","0.003","90","","287.87","0.05","301","2","301","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Al Ba2 O5 Y -","- Al Ba2 O5 Y -","- Al2 Ba4 O10 Y2 -","2","0.5","OP3025","Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori","Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","464","471","10.1107/S2053229623008860","","","0.71073","MoKα","","0.0285","0.028","","","0.0677","0.068","","","","","","1.233","","","","has coordinates,has Fobs","295819","2024-11-07","03:02:39",""
"2312687","5.9019","0.0002","7.8744","0.0003","9.6538","0.0003","90","","107.794","0.001","90","","427.19","0.03","301","2","301","2","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Al4 Ba6 O15 Y2 -","- Al4 Ba6 O15 Y2 -","- Al4 Ba6 O15 Y2 -","1","0.5","OP3025","Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori","Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","464","471","10.1107/S2053229623008860","","x-ray","0.71073","MoKα","","0.0333","0.0279","","","0.0571","0.0598","","","","","","1.101","","","","has coordinates,has Fobs","295819","2024-11-07","03:02:40",""
"2312688","7.831","0.0002","5.899","0.0002","18.3344","0.0006","90","","91.6065","0.0011","90","","846.63","0.05","300","2","300","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","barium yttrium aluminum oxide","","","- Al4 Ba6 O15 Y2 -","- Al4 Ba6 O15 Y2 -","- Al8 Ba12 O30 Y4 -","2","0.5","OP3025","Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori","Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 11","464","471","10.1107/S2053229623008860","","","0.71073","MoKα","","0.0404","0.0352","","","0.0779","0.0803","","","","","","1.135","","","","has coordinates,has Fobs","295819","2024-11-07","03:02:40",""