# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-08T11:14:55+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 E, Crystallographic communications') AND volume = 80 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
"2022959","10.1905","0.0006","10.1905","0.0006","14.4709","0.001","90","","90","","90","","1502.75","0.16","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Magnesium lithium boride (1.11/1.89/47.60)","","- B47.6 Li1.89 Mg1.11 -","- B47.61 Li1.913 Mg1.087 -","- B190.44 Li7.652 Mg4.348 -","4","0.5","NU2001","Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr","Synthesis, crystal structure and hydrogenation properties of MgxLi3 - xB48 - y (x = 1.11, y = 0.40).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","10","13","10.1107/S2056989023009969","","","0.71073","MoKα","","0.0572","0.0531","","","0.1256","0.1294","","","","","","0.995","","","","has coordinates,has Fobs","289681","2024-02-05","12:05:06",""
"2022960","28.4313","0.0007","7.6516","0.0002","29.5461","0.0009","90","","90","","90","","6427.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis{N-[(4-methoxyphenyl)imino]pyrrolidine-1-carboxamide}zinc(II) (acetonitrile)trichloridozincate","","- C26 H33 Cl4 N7 O4 Zn2 -","- C26 H33 Cl4 N7 O4 Zn2 -","- C208 H264 Cl32 N56 O32 Zn16 -","8","1","YY2008","Tiwari, Laxmi; Waynant, Kristopher V.","The synthesis and structural properties of a chlorido-bis-{N-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","14","17","10.1107/S2056989023010447","","x-ray","0.71073","MoKα","","0.0673","0.0457","","","0.0953","0.1039","","","","","","1.151","","","","has coordinates,has Fobs","289695","2024-02-05","12:09:04",""
"2022961","10.6474","0.0003","13.2429","0.0003","11.4176","0.0003","90","","99.067","0.001","90","","1589.79","0.07","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","3-{1-[(2-Hydroxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","ZN2033","Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef","Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1H-1,3-benzo-diazol-2-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","18","21","10.1107/S2056989023010368","","","0.71073","MoKα","","0.1017","0.059","","","0.1624","0.1897","","","","","","1.059","","","","has coordinates","289679","2024-02-05","12:04:47",""
"2022962","15.8584","0.0011","5.3693","0.0004","8.8636","0.0006","90","","99.994","0.007","90","","743.27","0.09","286","","286","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-4,4'-disulfonato-bis(aqualithium)","","- C12 H12 Li2 O8 S2 -","- C12 H12 Li2 O8 S2 -","- C24 H24 Li4 O16 S4 -","2","0.5","JP2001","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","22","24","10.1107/S2056989023010411","","","0.71075","MoKα","","0.0683","0.0606","","","0.1551","0.1593","","","","","","1.122","","","","has coordinates,has Fobs","289680","2024-02-05","12:04:56",""
"2022963","8.26968","0.0001","12.50096","0.00014","12.76743","0.00016","116.955","0.0012","104.842","0.001","91.0281","0.001","1123.39","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-{[5-Amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl]oxy}-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","2-[(5-Amino-1-tosyl-1H-pyrazol-3-yl)oxy]-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","","- C23 H27 N3 O7 S -","- C23 H27 N3 O7 S -","- C46 H54 N6 O14 S2 -","2","1","YZ2045","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 2-[(5-amino-1-tosyl-1H-pyrazol-3-yl)-oxy]-1-(4-meth-oxy-phen-yl)ethan-1-one 1,4-dioxane monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","29","33","10.1107/S205698902301054X","","","0.71073","MoKα","","0.0314","0.0266","","","0.0838","0.0865","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","289682","2024-02-05","12:05:21",""
"2022964","15.5352","0.0002","11.5178","0.0001","16.0472","0.0002","90","","107.616","0.002","90","","2736.7","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diammonium {μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato}ferrate(IV) acetic acid trisolvate","","- C18 H32 Fe N14 O12 -","- C18 H32 Fe N14 O12 -","- C72 H128 Fe4 N56 O48 -","4","0.5","WM5703","Plutenko, Maksym O.; Shylin, Sergii I.; Shova, Sergiu; Blinder, Aleksander V.; Fritsky, Igor O.","Crystal structure of a water oxidation catalyst solvate with composition (NH4)2[FeIV(L-6H)]·3CH3COOH (L = clathrochelate ligand).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","25","28","10.1107/S2056989023010514","","","0.71073","MoKα","","0.0246","0.024","","","0.0639","0.0643","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","289684","2024-02-05","12:05:43",""
"2022965","8.05892","0.00017","11.1342","0.0002","15.0596","0.0004","90","","97.004","0.002","90","","1341.21","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane sulfide-κS)gold","","- C9 H21 Au Cl P S -","- C9 H21 Au Cl P S -","- C36 H84 Au4 Cl4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0191","0.0148","","","0.0301","0.0315","","","","","","1.077","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022966","26.953","0.003","8.1226","0.0004","18.69","0.002","90","","132.03","0.02","90","","3039.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(tert-butyl)(propan-2-yl)tripropylphosphane sulfide-κS]chloridogold","","- C11 H25 Au Cl P S -","- C11 H25 Au Cl P S -","- C88 H200 Au8 Cl8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.027","0.021","","","0.0409","0.043","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","289690","2024-02-05","12:07:56",""
"2022967","8.45319","0.00017","10.904","0.0003","8.7166","0.0002","90","","93.583","0.002","90","","801.87","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(tri-tert-butylphosphane sulfide-κS)gold","","- C12 H27 Au Cl P S -","- C12 H27 Au Cl P S -","- C24 H54 Au2 Cl2 P2 S2 -","2","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0214","0.0188","","","0.0324","0.0332","","","","","","1.035","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022968","8.0938","0.0002","11.3088","0.0004","14.9798","0.0006","90","","96.403","0.002","90","","1362.57","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane selenide-κSe)gold","","- C9 H21 Au Cl P Se -","- C9 H21 Au Cl P Se -","- C36 H84 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0391","0.025","","","0.0351","0.038","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022969","8.2215","0.0002","11.3519","0.0003","15.24","0.0004","90","","92.389","0.004","90","","1421.11","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(tert-Butyl)bis(propan-2-yl)phosphane selenide-κSe]chloridogold","","- C10 H23 Au Cl P Se -","- C10 H23 Au Cl P Se -","- C40 H92 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0314","0.021","","","0.0406","0.0437","","","","","","1.064","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022970","7.64505","0.0001","14.6437","0.0002","13.7211","0.0002","90","","90.4954","0.0012","90","","1536.04","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]chloridogold","","- C11 H25 Au Cl P Se -","- C11 H25 Au Cl P Se -","- C44 H100 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0243","0.0203","","","0.0408","0.0423","","","","","","1.058","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022971","8.1898","0.0002","11.1421","0.0003","15.3064","0.0004","90","","97.394","0.002","90","","1385.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane sulfide-κS)gold","","- C9 H21 Au Br P S -","- C9 H21 Au Br P S -","- C36 H84 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0275","0.0188","","","0.0302","0.0318","","","","","","1.057","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022972","27.3157","0.001","8.16931","0.00013","18.8362","0.0007","90","","132.187","0.007","90","","3114.5","0.4","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(tert-butyl)(propan-2-yl)tripropylphosphane sulfide-κS]bromidogold","","- C11 H25 Au Br P S -","- C11 H25 Au Br P S -","- C88 H200 Au8 Br8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0182","0.0153","","","0.0311","0.032","","","","","","1.078","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022973","8.3107","0.0006","13.482","0.0005","14.7591","0.0009","90","","90.424","0.006","90","","1653.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-tert-butylphosphane sulfide-κS)gold","","- C12 H27 Au Br P S -","- C12 H27 Au Br P S -","- C48 H108 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0486","0.0373","","","0.0791","0.0842","","","","","","1.043","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022974","8.225","0.00014","11.31793","0.00017","15.2065","0.0003","90","","96.6895","0.0016","90","","1405.94","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane selenide-κSe)gold","","- C9 H21 Au Br P Se -","- C9 H21 Au Br P Se -","- C36 H84 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0205","0.0152","","","0.0282","0.0293","","","","","","1.073","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022975","11.5037","0.0002","15.244","0.0002","16.8366","0.0002","90","","90.053","0.002","90","","2952.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido[(tert-butyl)bis(propan-2-yl)phosphane selenide-κSe]gold","","- C10 H23 Au Br P Se -","- C10 H23 Au Br P Se -","- C80 H184 Au8 Br8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0272","0.0215","","","0.0385","0.0398","","","","","","1.09","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022976","7.66804","0.00008","14.77026","0.00016","13.94963","0.00015","90","","90.4697","0.001","90","","1579.87","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]bromidogold","","- C11 H25 Au Br P Se -","- C11 H25 Au Br P Se -","- C44 H100 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0378","0.0327","","","0.0799","0.0832","","","","","","1.069","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022977","8.29705","0.00016","13.6959","0.0003","14.6444","0.0003","90","","90.0892","0.0018","90","","1664.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-tert-butylphosphane selenide-κSe)gold","","- C12 H27 Au Br P Se -","- C12 H27 Au Br P Se -","- C48 H108 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0288","0.0226","","","0.0418","0.0433","","","","","","1.111","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022978","8.601","0.0002","15.0435","0.0003","11.7218","0.0002","90","","91.202","0.002","90","","1516.34","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(tert-Butyl)bis(propan-2-yl)phosphane sulfide-κS]iodidogold","","- C10 H23 Au I P S -","- C10 H23 Au I P S -","- C40 H92 Au4 I4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0221","0.0178","","","0.0316","0.0327","","","","","","1.12","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022979","11.70073","0.00016","15.4167","0.0002","17.048","0.0002","90","","89.6296","0.0012","90","","3075.17","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(tert-Butyl)bis(propan-2-yl)phosphane selenide-κSe]iodidogold","","- C10 H23 Au I P Se -","- C10 H23 Au I P Se -","- C80 H184 Au8 I8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0273","0.0216","","","0.0388","0.0403","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022980","10.7755","0.0002","10.7755","0.0002","28.3769","0.0005","90","","90","","90","","3294.88","0.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]iodidogold","","- C11 H25 Au I P Se -","- C11 H25 Au I P Se -","- C88 H200 Au8 I8 P8 Se8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0327","0.032","","","0.0782","0.0784","","","","","","1.421","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022981","13.6801","0.0013","10.7078","0.0011","22.035","0.002","90","","102.553","0.004","90","","3150.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(2-{[(2-methoxyethyl)(methyl)amino]methyl}benzylidene)ruthenium","","- C33 H43 Cl2 N3 O Ru -","- C33 H43 Cl2 N3 O Ru -","- C132 H172 Cl8 N12 O4 Ru4 -","4","1","","Mammadova, Gunay Z.; Atioğlu, Zeliha; Akkurt, Mehmet; Grigoriev, Mikhail S.; Volchkov, Nikita S.; Azizova, Asmet N.; Bhattarai, Ajaya; Antonova, Alexandra S.","Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","50","53","10.1107/S2056989023010381","","","0.71073","MoKα","","0.0514","0.032","","","0.0634","0.0702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","289692","2024-02-05","12:08:24",""
"2022982","12.52978","0.00009","18.87277","0.00012","10.63916","0.00007","90","","109.409","0.0008","90","","2372.88","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-(toluene-4-sulfonylamino)biphenyl-2,3-dicarboxylate","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-{[(4-methylphenyl)sulfonyl]amino}biphenyl-\ 2,3-dicarboxylate","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C100 H100 N4 O28 S4 -","4","1","JY2041","Guliyeva, Narmina A.; Burkin, Gleb M.; Annadurdyyeva, Selbi; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dimethyl 4-hy-droxy-5,4'-dimethyl-2'-(toluene-4-sulfonyl-amino)-biphenyl-2,3-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","62","66","10.1107/S205698902301071X","","","1.54184","CuKα","","0.0345","0.0334","","","0.0866","0.0875","","","","","","1.034","","","","has coordinates,has Fobs","289683","2024-02-05","12:05:33",""
"2022983","7.74413","0.00003","7.74413","0.00003","53.4131","0.0003","90","","90","","90","","3203.27","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3-Benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C160 H144 N16 S8 -","8","2","JY2043","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","72","77","10.1107/S2056989023010800","","","1.54184","CuKα","","0.0294","0.029","","","0.0765","0.077","","","","","","1.029","","","","has coordinates,has Fobs","289685","2024-02-05","12:05:57",""
"2022984","7.67386","0.00011","7.66462","0.00009","18.8755","0.0002","90","","97.4258","0.0012","90","","1100.89","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-2-methylpyridine N-oxide-κ^2^O:O)bis(μ-thiocyanato-κ^2^N:S)cobalt(II)]","","- C8 H7 Co N3 O S2 -","- C8 H7 Co N3 O S2 -","- C32 H28 Co4 N12 O4 S8 -","4","1","PK2699","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of poly[(μ-2-methyl-pyridine N-oxide-κ2O:O)bis-(μ-thio-cyanato-κ2N:S)cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","67","71","10.1107/S2056989023010721","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0654","0.0655","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","289686","2024-02-05","12:06:06",""
"2022985","7.1566","0.0004","14.1907","0.0009","16.2737","0.001","90","","91.329","0.002","90","","1652.27","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetrahydro-1H,3H,4H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","JY2042","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dieth-yl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetra-hydro-1H,3H,4H,7H-3a,6:7,9a-di-epoxy-benzo[de]isochromene-4,5-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","83","87","10.1107/S2056989023010794","","","0.71073","MoKα","","0.0709","0.0459","","","0.104","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","289687","2024-02-05","12:06:15",""
"2022986","8.8689","0.0004","8.4361","0.0003","21.7319","0.0009","90","","90","","90","","1625.96","0.12","250","0.5","250","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0607","0.0411","","","0.0927","0.1015","","","","","","1.08","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:33",""
"2022987","8.3039","0.0006","21.6993","0.0015","8.8495","0.0006","90","","90.077","0.002","90","","1594.58","0.19","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","2","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0428","0.0329","","","0.0719","0.0749","","","","","","1.059","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:34",""
"2022988","10.4638","0.0003","13.4495","0.0004","13.734","0.0004","90","","90","","90","","1932.83","0.1","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","1","WM5706","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0265","0.0251","","","0.0702","0.0705","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:50",""
"2022989","10.4504","0.0014","13.717","0.0016","13.4157","0.0014","90","","90","","90","","1923.1","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","0.71073","MoKα","","0.0537","0.0322","","","0.0769","0.0881","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:58",""
"2022990","12.3588","0.0003","12.7942","0.0003","12.2759","0.0003","90","","105.4","0.001","90","","1871.38","0.08","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Pyrrolidinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 P -","- C5 H11 F6 N2 P -","- C40 H88 F48 N16 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0492","0.0488","","","0.1343","0.1345","","","","","","1.074","","","","has coordinates,has Fobs","289689","2024-02-05","12:07:01",""
"2022991","9.267","0.003","13.178","0.004","15.053","0.005","90","","94.437","0.006","90","","1832.8","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Methylidene-1,2-dihydropyridinium-κN)tris(tetrahydrofuran-κO)lithium","","- C18 H30 Li N O3 -","- C18 H30 Li N O3 -","- C72 H120 Li4 N4 O12 -","4","1","HB8083","Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","78","82","10.1107/S2056989023010873","","","0.71073","MoKα","","0.0738","0.0524","","","0.1428","0.1585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","289691","2024-02-05","12:08:14",""
"2022992","6.8465","0.0004","7.1097","0.0007","7.209","0.0005","79.267","0.007","83.193","0.006","64.076","0.008","309.8","0.05","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-methyl-1H-1,2,4-triazole-3-carboxylato)copper(II)","","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","1","0.5","PK2702","Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.","Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1H-1,2,4-triazole-3-carboxyl-ato)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","54","57","10.1107/S2056989023010770","","","0.71073","MoKα","","0.0246","0.0243","","","0.0621","0.0624","","","","","","1.108","","","","has coordinates,has Fobs","289693","2024-02-05","12:08:33",""
"2022994","10.5283","0.0001","11.8583","0.0002","11.9401","0.0001","101.044","0.001","98.136","0.001","104.142","0.001","1390.69","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu)","","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","1","0.5","NY2001","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.033","0.0316","","","0.0815","0.0823","","","","","","1.046","","","","has coordinates,has Fobs","289694","2024-02-05","12:08:44",""
"2022995","10.54266","0.00013","21.8888","0.0002","12.66517","0.00015","90","","100.116","0.0011","90","","2877.26","0.06","300","2","300.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylformamide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu)","","- C74 H50 Cu2 N2 O10 -","- C74 H50 Cu2 N2 O10 -","- C148 H100 Cu4 N4 O20 -","2","0.5","","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.0374","0.0314","","","0.0875","0.0909","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","289694","2024-02-05","12:08:44",""
"2022998","5.44832","0.00009","9.03714","0.00014","26.1141","0.0004","90","","92.9914","0.0014","90","","1284.03","0.04","100","2","100","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[6-Amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide","","- C10 H11 N5 O2 S2 -","- C10 H11 N5 O2 S2 -","- C40 H44 N20 O8 S8 -","4","1","YZ2047","Mohamed-Ezzat, Reham A; Elgemeie, Galal H.; Jones, Peter G.","An unexpected tautomer: synthesis and crystal structure of N-[6-amino-4-(methyl-sulfan-yl)-1,2-di-hydro-1,3,5-triazin-2-yl-idene]benzenesulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","120","124","10.1107/S2056989023011076","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0845","0.085","","","","","","1.047","","","","has coordinates,has Fobs","290323","2024-03-05","20:41:46",""
"2022999","8.1674","0.0005","12.3033","0.0006","15.4877","0.0008","75.226","0.005","86.412","0.004","75.346","0.005","1455.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(pyridine-κN)cadmium(II)]-μ~2~-4,4'-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ^4^O,O':O'',O'''] 4.5-hydrate]","","- C26 H30 Cd N5 O9.5 -","- C26 H30 Cd N5 O9.5 -","- C52 H60 Cd2 N10 O19 -","2","1","HB8090","Popovych, Anastasiia M.; Tsymbal, Liudmyla V.; Khomenko, Dmytro M.; Bargan, Alexandra; Lampeka, Yaroslaw D.; Lampeka, Rostislav D.","Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1H-1,2,4-triazole-3,5-di-yl)dibenzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","128","132","10.1107/S2056989024000185","","x-ray","0.71073","MoKα","","0.0758","0.0519","","","0.0899","0.0993","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","290324","2024-03-05","20:41:56",""
"2023000","7.1189","0.0002","10.9687","0.0002","13.0678","0.0003","90","","100.426","0.002","90","","1003.55","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piperonal, thiosemicarbazone","{[(E)-(1,3-Benzodioxol-5-yl)methylidene]amino}thiourea","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C36 H36 N12 O8 S4 -","4","1","NX2003","Mesto, Ernesto; Okio, Coco K. Y. A.; Lemus, Maria Alejandra; Schingaro, Emanuela","{[(E)-(1,3-Benzodioxol-5-yl)methyl-idene]amino}thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","125","127","10.1107/S2056989024000033","","","0.71073","MoKα","","0.0697","0.0402","","0.1035","0.0887","0.1035","","","","","","0.9525","","","","has coordinates,has Fobs","290325","2024-03-05","20:42:09",""
"2023001","7.9481","0.0007","12.8523","0.0013","14.8737","0.0015","96.651","0.004","96.96","0.003","90.548","0.003","1497.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-[2-(2-Amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid N,N-dimethylformamide monosolvate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","2","EJ2001","Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid N,N-di-methylformamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","110","116","10.1107/S2056989023011118","","","0.71073","MoKα","","0.1068","0.0632","","","0.1445","0.1856","","","","","","1.12","","","","has coordinates,has Fobs","290330","2024-03-05","20:42:51",""
"2023002","6.9527","0.0002","19.7112","0.0006","12.2466","0.0003","90","","90","","90","","1678.35","0.08","200","0.1","200","0.1","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium gadolinium(III) phosphate(V) molybdate(VI)","","- Gd K2 Mo O8 P -","- Gd K2 Mo O8 P -","- Gd8 K16 Mo8 O64 P8 -","8","0.5","OI2002","Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola","Crystal structure of a layered phosphate molybdate K2Gd(PO4)(MoO4).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","117","119","10.1107/S2056989023011106","","x-ray","0.71073","MoKα","","0.0191","0.017","","","0.0443","0.0452","","","","","","1.132","","","","has coordinates,has Fobs","290333","2024-03-05","20:43:29",""
"2023003","35.908","0.004","6.8473","0.0006","13.2661","0.0011","90","","98.915","0.004","90","","3222.4","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2H-chromen-6-yl 4-tert-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","HB8087","Kenfack Tsobnang, Patrice; Ziki, Eric; Siaka, Soso; Yoda, Jules; Kamal, Seham; Bouraima, Adam; Djifa Hounsi, Ayi; Wenger, Emmanuel; Bendeif, El-Eulmi; Lecomte, Claude","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-6-yl 4-tert-butyl-benzoate: work carried out as part of the AFRAMED project.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","106","109","10.1107/S2056989023011052","","","0.71073","MoKα","","0.0631","0.0442","","","0.1148","0.1238","","","","","","1.113","","","","has coordinates,has Fobs","290335","2024-03-05","20:43:44",""
"2023004","23.1656","0.0012","7.7041","0.0003","16.5664","0.0008","90","","110.896","0.006","90","","2762.1","0.2","291.8","0.11","292.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[hexa-μ-bromido-bis{2-[1-(pyridin-2-yl)ethylideneamino]ethanolato}\ tetracopper(II)]","","- C18 H22 Br6 Cu4 N4 O2 -","- C18 H23 Br6 Cu4 N4 O2 -","- C72 H92 Br24 Cu16 N16 O8 -","4","1","EX2076","Traoré, Bocar; Diouf, Ngoné; Kébé, Momath; Guéye-Sylla, Rokhaya; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","133","136","10.1107/S2056989023011040","","","0.71073","MoKα","","0.035","0.0293","","","0.0732","0.0761","","","","","","1.021","","","","has coordinates,has disorder","290326","2024-03-05","20:42:18",""
"2023005","7.6106","0.0002","7.8024","0.0002","25.4699","0.0005","90","","90","","90","","1512.43","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromidobis(2-methylpyridine N-oxide-κO)cobalt(II)","","- C12 H14 Br2 Co N2 O2 -","- C12 H14 Br2 Co N2 O2 -","- C48 H56 Br8 Co4 N8 O8 -","4","1","YZ2048","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine N-oxide-κO)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","152","156","10.1107/S2056989024000252","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0929","0.0933","","","","","","1.059","","","","has coordinates,has Fobs","290328","2024-03-05","20:42:33",""
"2023006","23.612","0.003","7.2392","0.0008","7.2122","0.0007","90","","90","","90","","1232.8","0.2","150","2","150","2","","","","","","","organic","5","P c a 21","P 2c -2ac","29","","1-[(E)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1H)-one","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","EE2002","Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier","Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(E)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","137","142","10.1107/S2056989024000227","","x-ray","0.71073","MoKα","","0.0458","0.0442","","","0.1083","0.1094","","","","","","1.081","","","","has coordinates,has Fobs","290334","2024-03-05","20:43:36",""
"2023007","10.4316","0.0007","25.1732","0.0017","7.7756","0.0005","90","","90","","90","","2041.8","0.2","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C64 H96 B4 F12 O20 S4 Si4 -","4","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.047","0.0404","","","0.0876","0.0912","","","","","","1.039","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:19",""
"2023008","28.334","0.003","11.8449","0.0013","12.9139","0.0014","90","","92.723","0.002","90","","4329.2","0.8","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C128 H192 B8 F24 O40 S8 Si8 -","8","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.0646","0.0484","","","0.1278","0.1387","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","290337","2024-03-05","20:44:24",""
"2023009","10.2407","0.0008","12.6295","0.001","34.127","0.003","90","","95.689","0.002","90","","4392.1","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C17 H26 B F3 O5 S Si -","- C17 H26 B F3 O5 S Si -","- C136 H208 B8 F24 O40 S8 Si8 -","8","2","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.1008","0.0715","","","0.1712","0.1856","","","","","","1.143","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:25",""
"2023010","6.0356","0.0005","7.6501","0.0006","15.7851","0.0014","90","","90","","90","","728.84","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^2^-Dimethylethanedihydrazide","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","VM2294","Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.","Synthesis and crystal structure of N1,N2-di-methyl-ethane-dihydrazide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","148","151","10.1107/S2056989024000239","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.0846","0.0932","","","","","","1.038","","","","has coordinates,has Fobs","290339","2024-03-05","20:44:44",""
"2023011","10.3941","0.0007","11.154","0.0007","23.3489","0.0015","90","","90","","90","","2707","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κN)gold(I)","","- C28 H36 Au N3 O -","- C28 H36 Au N3 O -","- C112 H144 Au4 N12 O4 -","4","1","ZV2031","Bakhoda, Abolghasem","Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κN)gold(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","166","168","10.1107/S205698902400046X","","","0.71073","MoKα","","0.0131","0.0127","","","0.0244","0.0246","","","","","","1.111","","","","has coordinates,has Fobs","290329","2024-03-05","20:42:42",""
"2023012","6.4068","0.0003","25.2542","0.0015","9.3395","0.0004","90","","103.946","0.004","90","","1466.58","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methylpiperidine-κN)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C48 H104 Au4 Cl4 N8 -","4","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0446","0.0326","","","0.0462","0.0482","","","","","","1.157","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023013","9.6998","0.0007","9.7001","0.0008","10.7194","0.0005","102.218","0.006","101.893","0.005","114.695","0.008","844.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κN)gold(I) dichloridoaurate(I)","","- C12 H26 Au2 Cl2 N2 -","- C12 H26 Au2 Cl2 N2 -","- C24 H52 Au4 Cl4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0313","0.0286","","","0.0614","0.0635","","","","","","1.126","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023014","9.8461","0.0006","9.7728","0.0004","10.9461","0.0005","100.136","0.004","103.685","0.005","116.287","0.005","868.58","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κN)gold(I) dibromidoaurate(I)","","- C12 H26 Au2 Br2 N2 -","- C12 H26 Au2 Br2 N2 -","- C24 H52 Au4 Br4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0334","0.0232","","","0.0385","0.0409","","","","","","1.045","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023015","20.5785","0.0007","16.0876","0.0004","18.2247","0.0007","90","","116.196","0.005","90","","5413.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido(4-methylpiperidine-κN)gold(I) bis(4-methylpiperidine-κN)gold(I) chloride dichloromethane monosolvate","","- C19 H41 Au2 Cl4 N3 -","- C19 H41 Au2 Cl4 N3 -","- C152 H328 Au16 Cl32 N24 -","8","2","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0535","0.0402","","","0.0645","0.0699","","","","","","1.094","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023016","17.6978","0.0007","11.2748","0.0005","16.562","0.0006","90","","114.013","0.005","90","","3018.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpiperidine-κN)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C96 H208 Au8 Cl8 N16 -","8","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.059","0.0285","","","0.0431","0.0487","","","","","","1.09","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023018","27.4898","0.0004","5.9436","0.0001","32.0473","0.0005","90","","93.854","0.001","90","","5224.32","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate]","","- C23 H19 N O16 Pr2 -","- C23 H19 N O16 Pr2 -","- C184 H152 N8 O128 Pr16 -","8","1","JW2002","Yotnoi, Bunlawee; Rujiwatra, Apinpus","Crystal structure and characterization of a new lanthanide coordination polymer, [Pr2(pydc)(phth)2(H2O)3]·H2O.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","228","231","10.1107/S2056989024000872","","x-ray","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.0807","","","","","","1.046","","","","has coordinates,has Fobs","290327","2024-03-05","20:42:27",""
"2023019","9.1397","0.0002","9.4879","0.0002","10.0063","0.0002","79.554","0.001","63.787","0.001","83.054","0.001","764.75","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-phenylpropanoate","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","NY2002","Ait Elmachkouri, Younesse; Irrou, Ezaddine; El Monfalouti, Hanae; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1H-pyrazol-4-yl)-3-phen-yl-propano-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","240","246","10.1107/S2056989024000744","","","1.54178","CuKα","","0.0703","0.0476","","","0.1134","0.1271","","","","","","1.044","","","","has coordinates,has Fobs","290332","2024-03-05","20:43:22",""
"2023020","9.842","0.0002","6.9145","0.0002","11.1807","0.0002","90","","93.618","0.002","90","","759.36","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Chloroethyl)-5-methyl-1,2-dihydropyrazol-3-one","","- C6 H9 Cl N2 O -","- C6 H9 Cl N2 O -","- C24 H36 Cl4 N8 O4 -","4","1","NX2004","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dukhnovsky, Evgeny A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","223","227","10.1107/S2056989024000835","","","1.54184","CuKα","","0.0366","0.0356","","","0.0964","0.0972","","","","","","1.048","","","","has coordinates,has Fobs","290336","2024-03-05","20:44:01",""
"2023021","6.6126","0.0004","4.868","0.0003","38.924","0.002","90","","94.118","0.002","90","","1249.73","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylbenzyl)indoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","JP2002","Rharmili, Nohaila; Abdellaoui, Omar; Ouazzani Chahdi, Fouad; Mague, Joel T.; Hökelek, Tuncer; Mazzah, Ahmed; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl-benz-yl)in-do-line-2,3-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","232","239","10.1107/S2056989024000756","","","0.71073","MoKα","","0.082","0.0538","","","0.1231","0.1368","","","","","","1.026","","","","has coordinates,has Fobs","290338","2024-03-05","20:44:33",""
"2023022","8.0175","0.001","11.3134","0.0014","17.408","0.002","95.099","0.002","99.963","0.002","96.414","0.002","1536","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(Z)-N-[Chloro[(4-ferrocenylphenyl)imino]methyl]-\ 4-ferrocenylaniline N,N-dimethylformamide monosolvate","","- C36 H34 Cl Fe2 N3 O -","- C36 H34 Cl Fe2 N3 O -","- C72 H68 Cl2 Fe4 N6 O2 -","2","1","OX2002","Sghyar, Riham; Bentama, Abdeslem; Haoudi, Amal; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; El Hadrami, El Mestafa; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analysis of (Z)-N-{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline N,N-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","262","266","10.1107/S2056989024001002","","","0.71073","MoKα","","0.0723","0.0465","","","0.1152","0.131","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","291118","2024-04-05","23:42:49",""
"2023023","14.331","0.005","7.769","0.005","17.558","0.005","90","","91.969","0.005","90","","1953.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(2-Nitrophenyl)maleimide","1-(2-Nitrophenyl)pyrrole-2,5-dione","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C80 H48 N16 O32 -","8","2","VU2003","Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover","Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-nitro-phen-yl)male-imide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","256","261","10.1107/S2056989024000926","","","0.71073","MoKα","","0.0873","0.0479","","","0.0988","0.1215","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","291120","2024-04-05","23:43:06",""
"2023024","7.1291","0.0002","7.1662","0.0002","11.0151","0.0003","77.704","0.001","80.079","0.001","72.371","0.001","520.49","0.03","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","[4-(2-Aminoethyl)morpholine-κ^2^N,N']dibromidocadmium(II)","","- C6 H14 Br2 Cd N2 O -","- C6 H14 Br2 Cd N2 O -","- C12 H28 Br4 Cd2 N4 O2 -","2","1","JQ2033","Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S.","[4-(2-Aminoethyl)morpholine-κ2N,N']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","271","276","10.1107/S2056989024000963","","","0.71073","MoKα","","0.025","0.0241","","","0.0583","0.0591","","","","","","1.075","","","","has coordinates,has Fobs","291114","2024-04-05","23:41:59",""
"2023025","19.705","0.003","15.389","0.002","14.1279","0.0019","90","","113.801","0.004","90","","3919.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O4 -","- C21 H23 F2 N O4 -","- C168 H184 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.1111","0.0726","","","0.1612","0.1864","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:37",""
"2023026","12.255","0.003","15.694","0.003","21.903","0.004","90","","90","","90","","4212.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C184 H216 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0697","0.0504","","","0.1192","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","291117","2024-04-05","23:42:40",""
"2023027","12.4094","0.0008","15.9871","0.0012","21.9629","0.0015","90","","90","","90","","4357.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-Butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C192 H232 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0874","0.0588","","","0.1474","0.1632","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:40",""
"2023028","7.685","0.0004","9.4135","0.0004","13.9147","0.0007","105.609","0.002","101.103","0.002","96.253","0.002","937.5","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","Diethylammonium dioxido{Z)-N-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate","","- C16 H22 N5 O5 V -","- C16 H22 N5 O5 V -","- C32 H44 N10 O10 V2 -","2","1","EV2002","Mondal, Bipul","Crystal structure of di-ethyl-ammonium dioxido{Z)-N-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","277","280","10.1107/S2056989024001166","","","0.71073","MoKα","","0.0596","0.0382","","","0.0949","0.1096","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","291121","2024-04-05","23:43:15",""
"2023029","11.5512","0.0007","24.4768","0.0014","12.8355","0.0006","90","","115.742","0.002","90","","3268.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(μ-2-formyl-6-methoxyphenolato)samarium(III)sodium(I)]","","- C32 H28 Na O12 Sm -","- C32 H28 Na O12 Sm -","- C128 H112 Na4 O48 Sm4 -","4","1","OO2002","Hastings, Ashley M.; Williams, Ashley; Surbella Iii, Robert G.; Hixon, Amy E.; Arteaga, Ana","Structural characterization of a new samarium-sodium heterometallic coordination polymer.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","267","270","10.1107/S2056989024001051","","","0.71073","MoKα","","0.0803","0.0502","","","0.0956","0.1083","","","","","","1.019","","","","has coordinates,has Fobs","291125","2024-04-05","23:44:05",""
"2023030","9.054","0.011","15.015","0.015","30.93","0.03","90","","94.1","0.03","90","","4194","8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride","","- C9 H11 Cl N2 Se -","- C9 H11 Cl N2 Se -","- C144 H176 Cl16 N32 Se16 -","16","4","EX2079","Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G.","Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","247","251","10.1107/S2056989024000938","","","0.71073","MoKα","","0.1261","0.0797","","","0.1735","0.1917","","","","","","1.104","","","","has coordinates,has Fobs","291126","2024-04-05","23:44:13",""
"2023031","9.9014","0.0005","10.7214","0.0006","11.9401","0.0006","69.789","0.003","71.074","0.003","66.439","0.003","1064.45","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[sodium-μ~3~-2-[(4-methanesulfonyl-2-nitrophenyl)carbonyl]-3-oxocyclohex-1-en-1-olato] ethanol monosolvate]","","- C18 H24 N Na O9 S -","- C18 H24 N Na O9 S -","- C36 H48 N2 Na2 O18 S2 -","2","1","OI2003","Bereziuk, Olha; Gubina, Kateryna; Trush, Viktor; Ovchynnikov, Vladimir","Crystal structure of the sodium salt of mesotrione: a triketone herbicide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","296","299","10.1107/S2056989024001439","","","0.71073","MoKα","","0.071","0.0496","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","291116","2024-04-05","23:42:21",""
"2023032","8.78308","0.00012","11.66215","0.00016","11.00169","0.00015","90","","97.946","0.0012","90","","1116.08","0.03","100","2","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","YZ2050","Elboshi, Heba A.; Azzam, Rasha A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4-(benzo[d]thia-zol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","289","291","10.1107/S2056989024001257","","x-ray","1.54184","CuKα","","0.0307","0.0299","","","0.0807","0.0814","","","","","","1.068","","","","has coordinates,has Fobs","291119","2024-04-05","23:42:58",""
"2023033","24.3443","0.00007","24.3443","","14.55212","0.00004","90","","90","","120","","7468.81","0.03","295","","295","","","","","","","","","4","R 3 :H","R 3","146","omadacycline dihydrate","(4S,4aS,5aR,12aR)-4,7-Bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide dihydrate","","- C29 H40 N4 O8.961 -","- C29 H40 N4 O8.96367 -","- C261 H360 N36 O80.673 -","9","1","HB8082","Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.","Omadacycline dihydrate, C29H40N4O7·2H2O, from X-ray powder diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","292","295","10.1107/S2056989024001403","powder diffraction","x-ray","0.45813","synchrotron","","","","","","0.06233","","","","1.47","","","","","","","has coordinates","291123","2024-04-05","23:43:46",""
"2023034","8.8038","0.0006","10.2277","0.0007","14.0937","0.001","90.262","0.001","96.63","0.001","108.395","0.001","1195","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-Phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2295","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","300","304","10.1107/S2056989024001518","","","0.71073","MoKα","","0.0609","0.0454","","","0.1212","0.1291","","","","","","1.015","","","","has coordinates,has Fobs","291110","2024-04-05","23:41:22",""
"2023035","11.0276","0.001","10.7661","0.0008","19.635","0.002","90","","91.792","0.009","90","","2330","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium N-methanesulfonyl-4-nitro-2-phenoxyanilinide","","- C21 H31 N3 O5 S -","- C21 H31 N3 O5 S -","- C84 H124 N12 O20 S4 -","4","1","DX2059","Rybczyńska, Małgorzata; Sikorski, Artur","Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","314","317","10.1107/S2056989024001300","","","0.71073","MoKα","","0.121","0.0657","","","0.1074","0.1277","","","","","","1.097","","","","has coordinates,has Fobs","291111","2024-04-05","23:41:31",""
"2023036","7.166","0.002","7.686","0.003","12.172","0.004","95.473","0.016","105.226","0.012","113.116","0.013","579.9","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","2-(2-Azidophenyl)-3-oxo-3H-indole 1-oxide","","- C14 H8 N4 O2 -","- C14 H8 N4 O2 -","- C28 H16 N8 O4 -","2","1","DX2056","Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V.","Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","310","313","10.1107/S2056989024001440","","","0.71073","MoKα","","0.0568","0.0422","","","0.1131","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","291112","2024-04-05","23:41:40",""
"2023037","5.63465","0.00003","18.02763","0.00013","18.40115","0.00012","90","","97.1649","0.0006","90","","1854.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d']dipyrimidine-6-carbonitrile","","- C21 H15 N5 O S2 -","- C21 H15 N5 O S2 -","- C84 H60 N20 O4 S8 -","4","1","TX2082","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Mamedov, Huseyn M.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanyl-idene-5-(thio-phen-2-yl)-3,4,7,8,9,10-hexa-hydro-2H-pyrido[1,6-a:2,3-d']di-pyrimidine-6-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","325","329","10.1107/S2056989024001658","","","1.54184","CuKα","","0.0474","0.0468","","","0.1296","0.13","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","291113","2024-04-05","23:41:50",""
"2023038","12.6809","0.0009","12.1217","0.0009","17.7335","0.0013","90","","105.767","0.0015","90","","2623.3","0.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","","- C26.5 H18 F10 N2 O4.5 Si -","- C26.5 H18 F10 N2 O4.5 Si -","- C106 H72 F40 N8 O18 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0817","0.0513","","","0.1448","0.1629","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:12",""
"2023039","8.5662","0.0008","8.8343","0.0008","14.7801","0.0014","93.057","0.002","105.372","0.0019","106.757","0.0018","1022.45","0.17","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","Bis[1-oxopyridin-2-olato(1-)]bis(p-tolyl)silicon(IV)","Bis[1-oxopyridin-2-olato(1-)]bis(4-mwthylphenyl)silicon(IV)","","- C24 H22 N2 O4 Si -","- C24 H22 N2 O4 Si -","- C48 H44 N4 O8 Si2 -","2","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0887","0.0541","","","0.1318","0.1487","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023040","12.571","0.0002","12.68898","0.00019","15.358","0.0002","90","","90","","90","","2449.8","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis[1-oxopyridin-2-olato(1-)]bis(2,4,6-trimethylphenyl)silicon(IV)","Dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV)","","- C28 H30 N2 O4 Si -","- C28 H30 N2 O4 Si -","- C112 H120 N8 O16 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","x-ray","1.54184","CuKα","","0.0342","0.0316","","","0.0775","0.0787","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023041","8.5784","0.0003","14.4797","0.0005","13.6961","0.0005","90","","96.052","0.004","90","","1691.75","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium triflate","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate","","- C28 H46 F3 N3 O7 S2 Si -","- C28 H46 F3 N3 O7 S2 Si -","- C56 H92 F6 N6 O14 S4 Si2 -","2","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (S)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","1.54184","CuKα","","0.0388","0.0368","","","0.0949","0.0971","","","","","","1.021","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:55",""
"2023042","6.6117","0.0002","10.1482","0.0002","28.1444","0.0009","90","","90","","90","","1888.4","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-8-(Iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide","(S)-8-(Iodomethyl)-1-4-(methylbenzenesulfonyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide","","- C15 H21 I2 N3 O2 S -","- C15 H21 I2 N3 O2 S -","- C60 H84 I8 N12 O8 S4 -","4","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (S)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","0.71073","MoKα","","0.0359","0.0308","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:56",""
"2023043","6.9143","0.0014","6.2111","0.0012","17.169","0.003","90","","90.05","0.03","90","","737.3","0.2","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^N:O;κ^2^O:N] monohydrate]","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C28 H32 Cu2 N4 O12 -","2","0.5","ZV2032","Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","330","334","10.1107/S2056989024001336","","x-ray","0.71073","MoKα","","0.0391","0.0329","","","0.0838","0.0865","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","291127","2024-04-05","23:44:20",""
"2023044","10.299","0.0017","11.734","0.002","12.846","0.002","87.275","0.003","88.918","0.003","72.096","0.002","1475.6","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]","","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","1","0.5","EV2003","Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K.","Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","335","338","10.1107/S205698902400166X","","","0.71073","MoKα","","0.0719","0.0474","","","0.1168","0.1299","","","","","","1.086","","","","has coordinates,has disorder","291109","2024-04-05","23:41:13",""
"2023045","16.8662","0.0015","12.8555","0.0011","18.7561","0.0016","90","","90","","90","","4066.8","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","13203z","1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","NX2005","Bader, Mamoun M.; Pham, Phuong-Truc","Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","339","342","10.1107/S2056989024001804","","","0.71073","MoKα","","0.0902","0.0482","","","0.1032","0.1245","","","","","","1.019","","","","has coordinates","291122","2024-04-05","23:43:24",""
"2023046","8.7253","0.0008","14.3482","0.0014","14.0718","0.0013","90","","104.76","0.002","90","","1703.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane 1-oxide-κO)zinc(II) monohydrate","","- C12 H25 Cl3 N4 O2 Zn -","- C12 H25 Cl3 N4 O2 Zn -","- C48 H100 Cl12 N16 O8 Zn4 -","4","1","PK2704","Hubin, Daniel J.; Cunningham, Blue M.; Hubin, Timothy J.; Ebel, Jonathan P.; Krause, Jeanette A.; Oliver, Allen G.","The unanti-cipated oxidation of a tertiary amine in a tetra-cyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","343","346","10.1107/S2056989024001889","","","0.71073","MoKα","","0.0335","0.0237","","","0.0522","0.0556","","","","","","1.012","","","","has coordinates,has disorder","291718","2024-05-06","04:19:49",""
"2023047","8.7649","0.0014","6.8899","0.0011","10.6868","0.0018","90","","104.676","0.004","90","","624.31","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","ZN2035","Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Synthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","347","350","10.1107/S2056989024001609","","","0.71073","MoKα","","0.0479","0.043","","","0.1188","0.1237","","","","","","1.073","","","","has coordinates","291728","2024-05-06","04:21:49",""
"2023048","20.5406","0.0009","13.7457","0.0005","10.565","0.0003","90","","107.006","0.004","90","","2852.54","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydrate","N-(4-Methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine 4-{5-[(4-methoxyphenyl)amino]-1,3,4-oxadiazol-2-yl}pyridin-1-ium chloride dihydrate","","- C28 H29 Cl N8 O6 -","- C28 H29 Cl N8 O6 -","- C112 H116 Cl4 N32 O24 -","4","0.5","HB8088","Gautam, Ram N.; Sonkar, Sankatha P.; Yadav, Shailendra; Nath, Paras; Bharty, Manoj K.","CoII-catalysed synthesis of N-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","351","354","10.1107/S2056989024002044","","","0.71073","MoKα","","0.069","0.0412","","","0.1033","0.1186","","","","","","0.977","","","","has coordinates","291729","2024-05-06","04:21:58",""
"2023049","19.6882","0.0003","18.9452","0.001","17.2139","0.0003","90","","110.811","0.0015","90","","6001.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III)","","- C40 H44 Cl12 Lu N4 O16 P5 -","- C40 H44 Cl12 Lu N4 O16 P5 -","- C160 H176 Cl48 Lu4 N16 O64 P20 -","4","1","DJ2075","Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M.","Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh4[LuL4].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","370","374","10.1107/S205698902400210X","","","1.54184","CuKα","","0.0445","0.0401","","","0.1055","0.1077","","","","","","1.084","","","","has coordinates,has disorder","291731","2024-05-06","04:22:22",""
"2023050","8.0262","0.0003","9.0839","0.0003","10.7162","0.0003","86.185","0.002","85.73","0.003","84.468","0.003","774.12","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tripropan-2-ylphosphane sulfide-κS)gold(III)","","- C9 H21 Au Cl3 P S -","- C9 H21 Au Cl3 P S -","- C18 H42 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.017","0.0151","","","0.0327","0.0332","","","","","","1.05","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023051","8.4533","0.0002","17.0563","0.0004","11.4826","0.0003","90","","94.525","0.002","90","","1650.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane sulfide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0247","0.021","","","0.0442","0.0456","","","","","","1.071","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023052","7.9363","0.0003","14.4096","0.0004","14.2851","0.0004","90","","91.774","0.003","90","","1632.85","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane sulfide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0339","0.0251","","","0.0424","0.045","","","","","","1.123","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023053","8.6034","0.0004","9.7779","0.0004","11.4231","0.0004","78.876","0.003","71.456","0.004","72.702","0.004","864.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III)","","- C11 H25 Au Cl3 P S -","- C11 H25 Au Cl3 P S -","- C22 H50 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0174","0.0157","","","0.0354","0.0359","","","","","","1.078","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023054","9.6382","0.0004","10.2787","0.0003","11.8483","0.0005","75.115","0.003","68.875","0.004","89.728","0.003","1053.13","0.08","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III) chloroform-d monosilvate","","- C12 H25 Au Cl6 D P S -","- C12 H25 Au Cl6 D P S -","- C24 H50 Au2 Cl12 D2 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0182","0.0163","","","0.0327","0.0333","","","","","","1.053","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023055","8.4202","0.0003","11.2194","0.0004","11.8355","0.0004","98.398","0.003","101.174","0.003","95.991","0.003","1074.95","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tri-tert-butylphosphane sulfide-κS)gold(III) dichloromethane monosolvate","","- C13 H29 Au Cl5 P S -","- C13 H29 Au Cl5 P S -","- C26 H58 Au2 Cl10 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0245","0.0205","","","0.0364","0.0373","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023056","7.92516","0.00018","14.5559","0.0004","14.3635","0.0004","90","","91.264","0.002","90","","1656.54","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane selenide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P Se -","- C10 H23 Au Cl3 P Se -","- C40 H92 Au4 Cl12 P4 Se4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0461","0.0426","","","0.0915","0.0926","","","","","","1.321","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023057","8.5878","0.0004","9.8435","0.0004","11.5022","0.0005","78.391","0.003","71.168","0.004","73.463","0.004","875.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III)","","- C11 H25 Au Cl3 P Se -","- C11 H25 Au Cl3 P Se -","- C22 H50 Au2 Cl6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0164","0.0144","","","0.0292","0.0297","","","","","","1.101","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023058","8.5343","0.0002","9.7185","0.0003","14.0759","0.0004","74.398","0.002","78.121","0.002","73.257","0.002","1066.3","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III) chloroform-d monosolvate","","- C12 H25 Au Cl6 D P Se -","- C12 H25 Au Cl6 D P Se -","- C24 H50 Au2 Cl12 D2 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0222","0.0206","","","0.047","0.0476","","","","","","1.097","","","","has coordinates,has disorder","291733","2024-05-06","04:23:21",""
"2023059","9.1341","0.0002","7.9039","0.0002","22.642","0.0004","90","","94.519","0.002","90","","1629.56","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribromrido(tripropan-2-ylphosphane sulfide-κS)gold(III)","","- C9 H21 Au Br3 P S -","- C9 H21 Au Br3 P S -","- C36 H84 Au4 Br12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0258","0.022","","","0.0374","0.0381","","","","","","1.233","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023060","8.6067","0.0008","10.1161","0.0012","11.5123","0.0012","77.873","0.01","70.257","0.01","71.867","0.01","890.37","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III)","","- C11 H25 Au Br3 P S -","- C11 H25 Au Br3 P S -","- C22 H50 Au2 Br6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0192","0.0174","","","0.0357","0.0362","","","","","","1.135","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023061","8.3928","0.0002","10.1417","0.0004","10.7567","0.0004","94.419","0.003","105.612","0.003","110.113","0.003","813.34","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido(tripropan-2-ylphosphane selenide-κS)gold(III)","","- C9 H21 Au Br3 P Se -","- C9 H21 Au Br3 P Se -","- C18 H42 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0334","0.0275","","","0.0702","0.074","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023062","8.6","0.0005","10.2045","0.0007","11.5987","0.0007","77.475","0.006","69.764","0.006","72.601","0.006","904.02","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III)","","- C11 H25 Au Br3 P Se -","- C11 H25 Au Br3 P Se -","- C22 H50 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0252","0.0196","","","0.0346","0.036","","","","","","1.049","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023063","7.8729","0.0012","5.5655","0.0008","15.492","0.002","90","","101.446","0.003","90","","665.31","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone","","- C13 H13 Cl F N O4 -","- C13 H13 Cl F N O4 -","- C26 H26 Cl2 F2 N2 O8 -","2","1","JY2039","Li, Victor; Yap, Glenn P. A.; Ni, Chaoying","Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","375","377","10.1107/S2056989024001920","","","1.54178","CuKα","","0.0511","0.0498","","","0.1346","0.1356","","","","","","1.083","","","","has coordinates","291724","2024-05-06","04:21:08",""
"2023064","6.2459","0.0004","14.148","0.0009","16.2111","0.0011","90","","92.435","0.007","90","","1431.23","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","NX2006","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dobrokhotova, Ekaterina V.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","378","382","10.1107/S2056989024002500","","","0.745","synchrotron","","0.0611","0.0446","","","0.1035","0.1132","","","","","","1.039","","","","has coordinates","291719","2024-05-06","04:20:07",""
"2023065","8.4614","0.0014","9.0947","0.0015","9.536","0.0016","87.739","0.002","72.963","0.002","69.028","0.002","653.39","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-3-(prop-2-yn-1-yloxy)quinoxaline","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","VM2298","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","383","387","10.1107/S2056989024002585","","","0.71073","MoKα","","0.0501","0.0437","","","0.1345","0.1387","","","","","","1.166","","","","has coordinates","291723","2024-05-06","04:20:58",""
"2023066","8.444","0.0003","14.3013","0.0005","15.4233","0.0006","90","","90","","90","","1862.52","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(Morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","WM5711","Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","423","429","10.1107/S2056989024002445","","","0.71073","MoKα","","0.0423","0.0367","","","0.0919","0.0969","","","","","","1.068","","","","has coordinates","291716","2024-05-06","04:19:31",""
"2023067","8.3083","0.0012","4.8511","0.0005","22.587","0.004","90","","98.572","0.018","90","","900.2","0.2","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium]","","- C9 H9 Li O5 -","- C9 H9 Li O5 -","- C36 H36 Li4 O20 -","4","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.0491","0.0317","","","0.0732","0.0791","","","","","","1.007","","","","has coordinates","291720","2024-05-06","04:20:18",""
"2023068","6.3289","0.0013","6.8126","0.0014","11.253","0.002","75.05","0.02","86.39","0.02","78.09","0.02","458.65","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]sodium]","","- C9 H9 Na O5 -","- C9 H9 Na O5 -","- C18 H18 Na2 O10 -","2","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.054","0.0347","","","0.087","0.0951","","","","","","0.999","","","","has coordinates","291720","2024-05-06","04:20:19",""
"2023069","12.69368","0.00009","12.69368","0.00009","11.35879","0.00013","90","","90","","90","","1830.24","0.03","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN^3^]copper(II) bromide","","- C20 H28 Br2 Cu N12 S8 -","- C20 H28 Br2 Cu N12 S8 -","- C40 H56 Br4 Cu2 N24 S16 -","2","0.25","NY2003","Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κN3]copper(II) bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","408","412","10.1107/S2056989024002652","","","1.54184","CuKα","","0.028","0.0254","","","0.0633","0.0649","","","","","","1.052","","","","has coordinates,has disorder","291721","2024-05-06","04:20:33",""
"2023070","9.9055","0.0002","15.96","0.0003","16.4794","0.0004","90","","106.344","0.002","90","","2499.98","0.1","100","2","100","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)","","- C25 H31 N5 O6 -","- C25 H31 N5 O6 -","- C100 H124 N20 O24 -","4","1","YZ2052","Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G.","Crystal structure of 2,4-di-amino-5-(4-hy-droxy-3-meth-oxy-phen-yl)-8,8-dimethyl-6-oxo-6,7,8,9-tetra-hydro-5H-chromeno[2,3-b]pyridine-3-carbo-nitrile-di-methyl-formamide-water (1/1/1).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","396","400","10.1107/S2056989024002615","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.1062","0.1138","","","","","","1.037","","","","has coordinates","291722","2024-05-06","04:20:49",""
"2023071","24.069","0.003","24.069","0.003","6.4468","0.0008","90","","90","","90","","3734.7","0.8","123","2","123","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","4,4'-Dimethoxybiphenyl-3,3',5,5'-tetracarboxylic acid dihydrate","","- C18 H18 O12 -","- C18 H18 O12 -","- C144 H144 O96 -","8","0.5","EX2080","Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika","Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","413","417","10.1107/S2056989024002305","","","0.71073","MoKα","","0.0617","0.0394","","","0.0824","0.0929","","","","","","1.083","","","","has coordinates","291725","2024-05-06","04:21:23",""
"2023072","6.6279","0.0015","7.3272","0.0012","8.2308","0.0015","67.271","0.017","83.403","0.017","73.006","0.017","352.58","0.13","291","","291","","","","","","","","","4","P -1","-P 1","2","(E)-3-(Pyridin-4-yl)acrylic acid","(E)-3-(Pyridin-4-yl)prop-2-enoic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","EX2082","Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard","Synthesis, characterization and supra-molecular analysis for (E)-3-(pyridin-4-yl)acrylic acid.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","388","391","10.1107/S2056989024002627","","x-ray","1.54184","CuKα","","0.0564","0.0491","","","0.1393","0.1527","","","","","","1.037","","","","has coordinates","291726","2024-05-06","04:21:31",""
"2023073","22.8042","0.0011","4.7826","0.0002","11.7421","0.0006","90","","90","","90","","1280.63","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","VM2299","Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","430","434","10.1107/S2056989024002664","","","1.54178","CuKα","","0.0579","0.0575","","","0.1593","0.1598","","","","","","1.086","","","","has coordinates","291727","2024-05-06","04:21:42",""
"2023074","10.7108","0.0002","11.7817","0.0002","12.9233","0.0003","73.831","0.002","67.667","0.002","67.38","0.002","1375.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate","","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","1","0.5","VM2297","Burkin, Gleb M.; Kvyatkovskaya, Elizaveta A.; Khrustalev, Victor N.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1H-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","418","422","10.1107/S2056989024002275","","","1.54184","CuKα","","0.0351","0.0341","","","0.0873","0.0881","","","","","","1.062","","","","has coordinates,has disorder","291730","2024-05-06","04:22:10",""
"2023075","5.6768","0.0003","12.0747","0.0006","18.1912","0.0009","87.071","0.004","82.11","0.004","81.11","0.004","1219.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Phenyl-2-(phenylsulfanyl)acetamide","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","YZ2049","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Elgemeie, Galal H.","Synthesis and crystal structure of N-phenyl-2-(phenyl-sulfan-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","392","395","10.1107/S2056989024002573","","","0.71073","MoKα","","0.0778","0.0578","","","0.1526","0.1622","","","","","","1.033","","","","has coordinates","291732","2024-05-06","04:22:32",""
"2023077","5.9454","0.0002","7.9543","0.0003","12.0673","0.0004","72.124","0.003","79.661","0.003","86.052","0.003","534.25","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Tetramethyl (E)-4,4'-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)","","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","1","0.5","WM5712","Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer","Synthesis and crystal structure of tetra-methyl (E)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","435","438","10.1107/S2056989024002676","","x-ray","1.54184","CuKα","","0.0458","0.0429","","","0.1224","0.1247","","","","","","1.087","","","","has coordinates","291717","2024-05-06","04:19:40",""
"2023152","7.6794","0.0016","20.987","0.004","10.0514","0.0019","90","","95.123","0.003","90","","1613.5","0.5","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[1'-(Carboxymethyl)-4,4'-bipyridine-1,1'-diium-1-yl]acetate tetrafluoroborate","","- C14 H14 B F4 N2 O4.5 -","- C14 H13 B F4 N2 O4.5 -","- C56 H52 B4 F16 N8 O18 -","4","1","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0589","0.051","","","0.1255","0.1315","","","","","","1.051","","","","has coordinates,has disorder","293987","2024-08-06","22:03:55",""
"2023153","6.2521","0.0002","11.4122","0.0004","11.1413","0.0004","90","","99.4832","0.0014","90","","784.07","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Bis(carboxylatomethyl)-4,4'-bipyridine-1,1'-diium","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C28 H40 N4 O16 -","2","0.5","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0494","0.0479","","","0.1211","0.1227","","","","","","1.11","","","","has coordinates","293987","2024-08-06","22:03:55",""
"2023154","9.22549","0.0001","20.8037","0.0002","15.87594","0.00019","90","","92.7309","0.0011","90","","3043.52","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Phenyl-2-(thiophen-3-yl)-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one","","- C17 H12 N2 O S2 -","- C17 H12 N2 O S2 -","- C136 H96 N16 O8 S16 -","8","2","TX2086","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0447","0.0352","","","0.091","0.0962","","","","","","1.073","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023155","28.2424","0.0004","11.0307","0.0001","28.6936","0.0004","90","","111.952","0.002","90","","8290.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(1H-Indol-3-yl)-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one 0.438-hydrate","","- C21 H15.438 N3 O1.44 S -","- C21 H15 N3 O1.4375 S -","- C336 H240 N48 O23 S16 -","16","2","","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0757","0.0677","","","0.2064","0.2179","","","","","","1.091","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023156","9.3825","0.0001","39.9164","0.0003","15.992","0.0001","90","","104.217","0.001","90","","5805.82","0.09","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisoselenocyanatotetrakis(2-methylpyridine N-oxide)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","2","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine N-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine N-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0402","0.0379","","","0.1068","0.1085","","","","","","1.046","","","","has coordinates","294011","2024-08-06","22:08:45",""
"2023157","12.07686","0.00006","26.47661","0.00016","7.25623","0.00004","90","","104.276","0.0005","90","","2248.56","0.02","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Diisoselenocyanatotris(2-methylpyridine N-oxide)cobalt(II)","","- C20 H21 Co N5 O3 Se2 -","- C20 H21 Co N5 O3 Se2 -","- C80 H84 Co4 N20 O12 Se8 -","4","1","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine N-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine N-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0197","0.0195","","","0.0619","0.0621","","","","","","0.829","","","","has coordinates","294011","2024-08-06","22:08:46",""
"2023158","6.6419","0.0016","7.6512","0.0019","15.837","0.004","99.458","0.006","98.02","0.006","97.046","0.006","777.3","0.3","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","6,6'-Dimethyl-2,2'-bipyridine-1,1'-diium tetrachloridocobaltate(II)","","- C12 H14 Cl4 Co N2 -","- C12 H14 Cl4 Co N2 -","- C24 H28 Cl8 Co2 N4 -","2","1","HB8095","Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine","Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","709","712","10.1107/S2056989024005152","","","0.71073","MoKα","","0.0305","0.0291","","","0.0798","0.0811","","","","","","1.029","","","","has coordinates","293994","2024-08-06","22:05:22",""
"2023159","16.6906","0.0003","16.6906","0.0003","9.1346","0.0002","90","","90","","120","","2203.76","0.07","180","2","180","2","","","","","","","","6","P -3","-P 3","147","","Tris{N,N-diethyl-N'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)","","- C36 H42 Co N9 O9 S3 -","- C36 H42 Co N9 O9 S3 -","- C72 H84 Co2 N18 O18 S6 -","2","0.333333","NX2011","Roecker, Lee; Parkin, Sean","Crystal structure of tris-{N,N-diethyl-N'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","713","716","10.1107/S2056989024005449","","","1.54178","CuKα","","0.0311","0.0299","","","0.0823","0.0833","","","","","","1.083","","","","has coordinates","294005","2024-08-06","22:07:38",""
"2023160","12.4181","0.0008","13.8092","0.0008","17.6498","0.0011","90","","93.36","0.002","90","","3021.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-perfluoro-o-phenylene)(μ~2~-3-phenyl-4H-chromen-4-one)-triangulo-trimercury","","- C33 H10 F12 Hg3 O2 -","- C33 H10 F12 Hg3 O2 -","- C132 H40 F48 Hg12 O8 -","4","1","DJ2077","Novikov, Egor M.; Castañeda, Raúl; Fonari, Marina S.; Timofeeva, Tatiana V.","A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenyl-enemercury.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","717","720","10.1107/S2056989024005346","","x-ray","0.71073","MoKα","","0.0313","0.0232","","","0.0497","0.0521","","","","","","1.051","","","","has coordinates","293992","2024-08-06","22:05:06",""
"2023161","6.2517","0.0002","5.4935","0.0002","14.5686","0.0006","90","","91.147","0.004","90","","500.24","0.03","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Glycyl-L-methionine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C14 H28 N4 O6 S2 -","2","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0399","0.0332","","","0.0756","0.0792","","","","","","1.044","","","","has coordinates","294001","2024-08-06","22:06:49",""
"2023162","5.2521","0.0003","11.4126","0.0007","16.5403","0.001","90","","90","","90","","991.43","0.1","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Methionyl-L-glycine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C28 H56 N8 O12 S4 -","4","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0251","0.0231","","","0.0603","0.0612","","","","","","1.055","","","","has coordinates","294001","2024-08-06","22:06:51",""
"2023163","22.9963","0.0003","22.9963","0.0003","22.9963","0.0003","90","","90","","90","","12161.1","0.3","298","","298","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Caesium thallium chloride phosphotungstate","","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl60 Cs72 O320 P8 Tl4 W96 -","2","0.0104167","OX2004","Deblonde, Gauthier; Colliard, Ian","Crystal structure of hexa-chloro-thallate within a caesium chloride-phospho-tungstate lattice Cs9(TlCl6)(PW12O40)2·9CsCl.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","721","724","10.1107/S2056989024005565","","","0.71073","MoKα","","0.0438","0.0416","","","0.1147","0.1158","","","","","","1.197","","","","has coordinates","294002","2024-08-06","22:07:09",""
"2023164","18.5651","0.0009","7.6604","0.0004","15.4897","0.0011","90","","95.472","0.002","90","","2192.8","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N-{2-[(2-Aminoethyl)amino]ethyl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tricarbonylrhenium(I)","","- C20 H22 N3 O5 Re S -","- C20 H22 N3 O5 Re S -","- C80 H88 N12 O20 Re4 S4 -","4","1","VM2303","Kaluthanthiri, Dinithi; Perera, Theshini; Fronczek, Frank R.","Synthesis, spectroscopic analysis and crystal structure of (N-{2-[(2-amino-eth-yl)amino]-eth-yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri-carb-on-ylrhenium(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","742","745","10.1107/S2056989024005656","","","0.71073","MoKα","","0.0639","0.0348","","","0.0617","0.0706","","","","","","1.083","","","","has coordinates","293989","2024-08-06","22:04:26",""
"2023165","4.8817","0.0001","16.8263","0.0002","22.4354","0.0002","90","","90.675","0.001","90","","1842.74","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-aminobenzimidazolium) catena-[metavanadate(V)]","catena-Poly[2-aminobenzimidazolium [[dioxidovanadium(V)]-μ-oxido]]","","- C14 H16 N6 O6 V2 -","- C14 H16 N6 O6 V2 -","- C56 H64 N24 O24 V8 -","4","1","WM5720","Jabborova, Kholida; Ashurov, Jamshid; Tojiboev, Akmaljon; Daminova, Shahlo","Synthesis and crystal structure of bis-(2-aminobenzimidazolium) catena-[metavanadate(V)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","751","754","10.1107/S2056989024005528","","","1.54184","CuKα","","0.0308","0.0299","","","0.0829","0.0835","","","","","","1.071","","","","has coordinates","293993","2024-08-06","22:05:14",""
"2023166","9.9343","0.0002","10.9767","0.0003","26.4168","0.0006","86.993","0.002","82.468","0.002","77.3","0.002","2785.09","0.12","99.96","0.18","99.96","0.18","","","","","","","","8","P -1","-P 1","2","","Tricarbonyl[η^4^-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]\ iron(0) tetrafluoroborate dichloromethane hemisolvate","","- C28.5 H23 B Cl F4 Fe O4 P -","- C28.5 H23 B Cl F4 Fe O4 P -","- C114 H92 B4 Cl4 F16 Fe4 O16 P4 -","4","2","VU2002","Wong, Kelsey C.; Reinheimer, Eric W.; Nataro, Chip; Griffith, Daniel R.","Crystal structure of tricarbon-yl[η4-6-exo-(tri-phenyl-phosphino)cyclo-hepta-2,4-dien-1-one]iron(0) tetra-fluoro-borate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","746","750","10.1107/S2056989024005747","","x-ray","0.71073","MoKα","","0.0606","0.0409","","","0.0957","0.1032","","","","","","1.029","","","","has coordinates","293995","2024-08-06","22:05:33",""
"2023167","16.3717","0.0007","6.3844","0.0003","16.185","0.0008","90","","116.649","0.006","90","","1512","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","0.5","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.029","0.019","","","0.0378","0.0407","","","","","","1.104","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023168","16.738","0.0006","6.44097","0.00013","8.1923","0.0003","90","","120.415","0.005","90","","761.66","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(3-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C24 H28 Au4 Br4 N4 -","2","0.25","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0157","0.0128","","","0.0283","0.0293","","","","","","1.12","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023169","6.7718","0.0003","8.5627","0.0005","15.1064","0.0008","105.356","0.005","90.788","0.004","96.311","0.004","838.71","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dichloridoaurate(I)","","- C14 H18 Au2 Cl2 N2 -","- C14 H18 Au2 Cl2 N2 -","- C28 H36 Au4 Cl4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0323","0.022","","","0.0367","0.0395","","","","","","1.062","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023170","6.8343","0.0002","8.6676","0.0003","15.4049","0.0006","105.72","0.003","90.741","0.003","98.242","0.003","868.05","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dibromidoaurate(I)","","- C14 H18 Au2 Br2 N2 -","- C14 H18 Au2 Br2 N2 -","- C28 H36 Au4 Br4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0373","0.026","","","0.0503","0.054","","","","","","1.045","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023171","7.9931","0.0004","8.4672","0.0003","11.3923","0.0005","87.202","0.004","74.635","0.004","81.406","0.004","735.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Bromopyridinium dibromidoaurate(I)–2-bromopyridine (1/1)","","- C10 H9 Au Br4 N2 -","- C10 H9 Au Br4 N2 -","- C20 H18 Au2 Br8 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0285","0.0228","","","0.046","0.048","","","","","","1.072","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023172","6.2805","0.0002","7.6549","0.0002","19.3578","0.0008","90","","99.372","0.002","90","","918.23","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dimethyl(phenyl)phosphine sulfide","Dimethyl(phenyl)phosphanethione","","- C8 H11 P S -","- C8 H11 P S -","- C32 H44 P4 S4 -","4","1","HB8100","Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","755","758","10.1107/S2056989024005668","","","1.54178","CuKα","","0.027","0.0243","","","0.0624","0.0642","","","","","","1.057","","","","has coordinates","294000","2024-08-06","22:06:28",""
"2023173","7.8966","0.0004","8.3394","0.0004","9.0089","0.0004","90","","100.546","0.005","90","","583.24","0.05","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromoethylammonium bromide","","- C2 H7 Br2 N -","- C2 H7 Br2 N -","- C8 H28 Br8 N4 -","4","1","WM5723","Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","738","741","10.1107/S2056989024005619","","x-ray","0.71073","MoKα","","0.0305","0.0236","","","0.0525","0.0541","","","","","","1.037","","","","has coordinates","294006","2024-08-06","22:07:45",""
"2023174","7.0695","0.0003","7.4842","0.0003","26.9573","0.001","90","","90","","90","","1426.3","0.1","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetrahydroisoquinolinium D-hydrogen tartrate monohydrate","1,2,3,4-Tetrahydroisoquinolin-2-ium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C13 H19 N O7 -","- C13 H19 N O7 -","- C52 H76 N4 O28 -","4","1","TX2087","Seidel, Rüdiger W; Kolev, Tsonko M.","Crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2S,3S)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","763","766","10.1107/S2056989024005711","","x-ray","0.71073","MoKα","","0.0473","0.0367","","","0.0734","0.0776","","","","","","1.036","","","","has coordinates","293990","2024-08-06","22:04:34",""
"2023175","9.57455","0.00013","9.2966","0.00017","14.5761","0.0002","90","","100.952","0.0014","90","","1273.8","0.03","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2H-chromen-4-yl pentanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","OX2005","Bationo, Valentin; Kambo, Konan René; Sombié, Charles Bavouma; Semdé, Rasmané; Francotte, Pierre; Djandé, Abdoulaye","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-4-yl penta-noate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","767","770","10.1107/S205698902400584X","","","1.54184","CuKα","","0.0628","0.056","","","0.1665","0.1749","","","","","","1.078","","","","has coordinates","294003","2024-08-06","22:07:17",""
"2023176","11.184","0.002","5.2951","0.0006","20.544","0.003","90","","96.137","0.006","90","","1209.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-(Allylthio)pyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene","Bis[2-(prop-2-en-1-ylsulfanyl)pyridine] 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C11 H9 F2 I N S -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","0.5","VM2304","Risken, Robin; Schrimpf, Tobias; Klotz, Franziska Dorothea; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","759","762","10.1107/S2056989024005693","","x-ray","0.71073","MoKα","","0.0218","0.0194","","","0.0455","0.0469","","","","","","1.12","","","","has coordinates","294004","2024-08-06","22:07:29",""
"2023177","20.0352","0.0012","9.1536","0.0005","19.2268","0.0012","90","","116.783","0.006","90","","3147.8","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(4-methylpyridine-κN)nickel(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C14 H14 N4 Ni S2 -","- C14 H14 N4 Ni S2 -","- C112 H112 N32 Ni8 S16 -","8","1","HB8101","Näther, Christian; Mangelsen, Sebastian","Synthesis, crystal structure and thermal properties of catena-poly[[bis-(4-methyl-pyridine)-nickel(II)]-di-μ-thio-cyanato], which shows an alternating all-trans and cis-cis-trans-coordination of the NiS2Np 2Nt 2 octa-hedra (p = 4-methyl-pyridine, t = thio-cyanate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","771","776","10.1107/S2056989024005887","","","0.71073","MoKα","","0.0453","0.0344","","","0.0865","0.0913","","","","","","1.028","","","","has coordinates","294007","2024-08-06","22:07:54",""
"2023178","12.4617","0.0005","7.0766","0.0003","13.65","0.0005","90","","96.085","0.001","90","","1196.96","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(methylsulfanyl)-3a,7a-dihydro-1H-pyrazolo[3,4-d]pyrimidine","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","WM5721","Mustaphi, Nour El Hoda; Chlouchi, Amina; El Hafi, Mohamed; Mague, Joel T.; Hökelek, Tuncer; El Monfalouti, Hanae; Haoudi, Amal; Mazzah, Ahmed","Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter-molecular inter-action energies and energy frameworks of 1-benzyl-4-(methyl-sulfan-yl)-3a,7a-di-hydro-1H-pyrazolo-[3,4-d]pyrimidine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","783","788","10.1107/S2056989024005954","","","1.54178","CuKα","","0.0498","0.0487","","","0.1338","0.1349","","","","","","1.1","","","","has coordinates","293996","2024-08-06","22:05:41",""
"2023179","9.2092","0.0006","9.0576","0.0006","20.4085","0.0013","90","","101.518","0.002","90","","1668.06","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[6-Bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C19 H18 Br F N2 O -","- C19 H18 Br F N2 O -","- C76 H72 Br4 F4 N8 O4 -","4","1","EX2084","Pronina, Anastasia A.; Podrezova, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","777","782","10.1107/S2056989024005826","","","0.71073","MoKα","","0.0574","0.0345","","","0.0659","0.0723","","","","","","1.019","","","","has coordinates","293997","2024-08-06","22:05:50",""
"2023180","24.1937","0.0003","17.01202","0.00019","28.6422","0.0003","90","","90.5965","0.0011","90","","11788","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentaaqua(cucurbit[6]uril-κ^2^O,O')(nitrato-κ^2^O,O')praseodymium(III) dinitrate 9.56-hydrate","","- C36 H65.11 N27 O35.56 Pr -","- C36 H65.11 N27 O35.555 Pr -","- C288 H520.88 N216 O284.44 Pr8 -","8","2","EX2083","Fedorenko, George V.; Zbruyev, Oleksandr I.; Pavlishchuk, Anna V.; Oleksenko, Lyudmila P.; Shova, Sergiu G.; Chebanov, Valentyn A.; Pavlishchuk, Vitaly V.","The crystal structure of a mononuclear PrIII complex with cucurbit[6]uril.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","789","794","10.1107/S2056989024005760","","x-ray","0.71073","MoKα","","0.0509","0.037","","","0.0806","0.0872","","","","","","1.036","","","","has coordinates,has disorder","293999","2024-08-06","22:06:20",""
"2023181","8.7491","0.0002","13.2133","0.0003","21.3793","0.0005","88.914","0.002","82.29","0.002","88.989","0.002","2448.48","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Aqua-1κO-di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κCl,2κCl-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ^2^N^1^,N^2^;2κ^2^N^1^,N^2^-dimanganese(II)","","- C48 H48 Cl4 Mn2 N6 O -","- C48 H48 Cl4 Mn2 N6 O -","- C96 H96 Cl8 Mn4 N12 O2 -","2","1","WM5726","Le Thi Hong, Hai; Hoang Tuan, Duong; Nguyen Duc, Anh; Nguyen, Hien; Van Meervelt, Luc","Synthesis, crystal structure and photophysical properties of a dinuclear MnII complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","795","799","10.1107/S2056989024006042","","x-ray","0.71073","MoKα","","0.0563","0.0435","","","0.1248","0.1388","","","","","","0.862","","","","has coordinates,has disorder","293988","2024-08-06","22:04:14",""
"2023182","5.6651","0.0005","5.7566","0.0006","13.2321","0.0009","90","","101.732","0.004","90","","422.51","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Benzyl-1H-pyrazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","VM2305","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral versus achiral crystal structures of 4-benzyl-1H-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.0369","0.032","","","0.0835","0.0843","","","","","","1.08","","","","has coordinates","293991","2024-08-06","22:04:55",""
"2023183","17.41","0.002","4.7271","0.0007","11.4664","0.0015","90","","98.247","0.006","90","","933.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Diamino-4-benzyl-1H-pyrazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","1","","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral versus achiral crystal structures of 4-benzyl-1H-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.043","0.0376","","","0.0932","0.0952","","","","","","1.026","","","","has coordinates","293991","2024-08-06","22:04:56",""
"2023184","4.8296","0.0001","6.2703","0.0001","16.9551","0.0002","90","","92.214","0.001","90","","513.069","0.015","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chlorothiazide","6-Chloro-1,1-dioxo-2H-1,2,4-benzothiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C14 H12 Cl2 N6 O8 S4 -","2","1","VU2004","Brydson, Rowan K. H.; Kennedy, Alan R.","A monoclinic polymorph of chloro-thia-zide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","806","810","10.1107/S2056989024006078","","","1.54184","CuKα","","0.0289","0.0281","","","0.0774","0.0779","","","","","","1.061","","","","has coordinates","294008","2024-08-06","22:08:02",""
"2023185","10.6402","0.0007","11.773","0.0008","15.1884","0.0009","82.353","0.005","86.526","0.005","69.248","0.005","1763.2","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^O:O')bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-κC^2^]chromium(II)} tetrahydrofuran disolvate","","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","1","0.5","JQ2035","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","","0.71073","MoKα","","0.0826","0.048","","","0.1214","0.1331","","","","","","0.937","","","","has coordinates,has disorder","294009","2024-08-06","22:08:13",""
"2023186","8.3679","0.0005","11.6127","0.0008","13.8355","0.0009","68.949","0.005","83.891","0.005","71.508","0.005","1189.9","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^O:O')bis{[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC^2^]chromium(II)},","","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","1","0.5","","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.1049","0.1116","","","","","","0.913","","","","has coordinates","294009","2024-08-06","22:08:13",""
"2312398","18.1825","0.0008","5.6191","0.0003","23.0548","0.0012","90","","94.76","0.004","90","","2347.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-({5-[(Naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone","","- C27 H20 N4 O3 S -","- C27 H20 N4 O3 S -","- C108 H80 N16 O12 S4 -","4","1","ZV2033","Le, Trong Duc; Nguyen, Tien Cong; Hoang, Thi Kim Dung; Huynh, Minh Khoi; Phan, Quang Thang; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","218","222","10.1107/S2056989024000859","","x-ray","0.71073","MoKα","","0.1096","0.0598","","","0.1245","0.1527","","","","","","1.022","","","","has coordinates","290311","2024-03-05","20:25:49",""
"2312399","8.383","0.0007","9.2872","0.0007","11.2981","0.0009","78.991","0.006","71.009","0.006","74.174","0.006","795.14","0.12","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","(E)-N,N-Diethyl-4-{[(4-methoxyphenyl)imino]methyl}aniline","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C36 H44 N4 O2 -","2","1","","Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen","(E)-N,N-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","201","206","10.1107/S2056989024000574","","x-ray","0.71073","MoKα","","0.0496","0.0352","","","0.0924","0.0999","","","","","","1.038","","","","has coordinates","290312","2024-03-05","20:26:03",""
"2312400","11.7033","0.00008","12.55284","0.00009","17.5256","0.0002","93.5044","0.0008","91.8625","0.0008","115.071","0.0007","2322.89","0.04","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","Tris(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","2","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine N-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0294","0.0287","","","0.0804","0.081","","","","","","1.071","","","","has coordinates","290313","2024-03-05","20:26:21",""
"2312401","7.0709","0.0003","9.6651","0.0005","11.0401","0.0004","90.609","0.003","96.346","0.003","108.09","0.004","711.99","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","Tetrakis(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","1","0.5","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine N-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.081","0.0811","","","","","","1.114","","","","has coordinates","290313","2024-03-05","20:26:22",""
"2312402","5.6599","0.0011","7.9243","0.001","34.353","0.005","90","","90","","90","","1540.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-1-(4-Bromophenyl)-N-[(4-methoxyphenyl)methylidene]ethylamine","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(S)-(+)-1-(4-Bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(S)-(+)-1-(4-bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κN}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.1136","0.0508","","","0.0945","0.116","","","","","","1.046","","","","has coordinates","290314","2024-03-05","20:26:41",""
"2312403","9.0493","0.0004","25.1365","0.0008","14.1725","0.0007","90","","90.185","0.004","90","","3223.8","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloridobis{(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylidene]ethylamine-κN}palladium(II)","","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C128 H128 Br8 Cl8 N8 O8 Pd4 -","4","2","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(S)-(+)-1-(4-Bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(S)-(+)-1-(4-bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κN}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.0753","0.0466","","","0.0937","0.1074","","","","","","1.019","","","","has coordinates,has disorder","290314","2024-03-05","20:26:41",""
"2312404","12.4307","0.0013","6.691","0.0006","10.7087","0.001","90","","107.506","0.003","90","","849.43","0.14","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dicadmium orthophosphate hydroxide","","- Cd2 H O5 P -","- Cd2 O5 P -","- Cd16 O40 P8 -","8","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0847","0.0465","","","0.0852","0.0996","","","","","","1.033","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312405","5.8901","0.0004","9.3455","0.0006","18.7423","0.0013","90","","90","","90","","1031.69","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pentacadmium bis(orthophosphate) tetrakis(hydroxide)","","- Cd5 H4 O12 P2 -","- Cd5 O12 P2 -","- Cd20 O48 P8 -","4","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0575","0.0385","","","0.0546","0.0588","","","","","","0.966","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312406","8.8691","0.0008","9.4161","0.0009","13.0347","0.0011","75.502","0.008","85.013","0.008","62.478","0.01","934.1","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(RS)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","","- C18 H14 Cl4 N2 O -","- C18 H14 Cl4 N2 O -","- C36 H28 Cl8 N4 O2 -","2","1","JY2040","Kaspiaruk, Hanna; Chęcińska, Lilianna","A triclinic polymorph of miconazole.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","196","200","10.1107/S2056989024000276","","x-ray","1.54184","CuKα","","0.1099","0.0853","","","0.2049","0.2236","","","","","","1.102","","","","has coordinates,has disorder","290316","2024-03-05","20:27:33",""
"2312407","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li3.997 O12 -","- Al24 B32 Cl8 Li31.976 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0307","0.0307","","","0.0746","0.0747","","","","","","1.155","","","","has coordinates","290317","2024-03-05","20:28:11",""
"2312408","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F 2 3","F 2 2 3","196","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li4 O12 -","- Al24 B32 Cl8 Li32 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.036","0.0322","","","0.0775","0.0814","","","","","","1.171","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312409","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.92 Na3.918 O12 -","- Al24 B32 Cl7.36 Na31.344 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0222","0.022","","","0.055","0.0551","","","","","","1.197","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312410","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F 2 3","F 2 2 3","196","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.921 Na3.922 O12 -","- Al24 B32 Cl7.368 Na31.376 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0295","0.0244","","","0.0621","0.0658","","","","","","1.119","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312411","15.47572","0.00016","4.16896","0.00004","23.2257","0.0002","90","","100.196","0.0009","90","","1474.8","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzoate","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0424","0.0383","","","0.0999","0.1034","","","","","","1.036","","","","has coordinates","290318","2024-03-05","20:28:41",""
"2312412","15.6177","0.0002","8.47502","0.00011","13.10365","0.00017","90","","109.656","0.0015","90","","1633.34","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(E)-(4-methylphenyl)diazenyl]ethenyl}benzoate","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C68 H56 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.04","0.0376","","","0.1057","0.1082","","","","","","1.129","","","","has coordinates","290318","2024-03-05","20:28:42",""
"2312413","8.22057","0.0001","8.53211","0.00009","13.08729","0.00014","103.948","0.0009","101.905","0.001","98.06","0.0009","854.086","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-{2,2-dichloro-1-[(E)-(3,4-dimethylphenyl)diazenyl]ethenyl}benzoate","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C36 H32 Cl4 N4 O4 -","2","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0371","0.0348","","","0.0951","0.0974","","","","","","1.084","","","","has coordinates","290318","2024-03-05","20:28:43",""
"2312414","7.9058","0.0004","8.2979","0.0005","14.6473","0.0009","90","","101.565","0.002","90","","941.38","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium bis(malonato)borate monohydrate","Poly[aqua[μ~4~-bis(malonato)borato]sodium]","","- C6 H6 B Na O9 -","- C6 H6 B Na O9 -","- C24 H24 B4 Na4 O36 -","4","1","HB8086","Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani","Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","180","183","10.1107/S2056989024000537","","","0.71073","MoKα","","0.0443","0.0382","","","0.0996","0.1047","","","","","","1.082","","","","has coordinates","290319","2024-03-05","20:29:23",""
"2312415","5.7855","0.0016","7.3347","0.0019","12.424","0.003","106.519","0.008","91.912","0.009","92.326","0.009","504.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2E)-1-Phenyl-3-(1H-pyrrol-2-yl)propen-1-one","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","TX2080","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (2E)-1-phenyl-3-(1H-pyrrol-2-yl)propen-1-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","191","195","10.1107/S2056989024000495","","","0.71073","MoKα","","0.0732","0.0493","","","0.0995","0.108","","","","","","1.064","","","","has coordinates","290320","2024-03-05","20:29:41",""